Simulation of Effects of the Saffman Force and the Magnus Force on Sand Saltation in Turbulent Flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Zhongquan C.; Zou, Xueyong; Yang, Xiaofan

2011-12-11

The effects of both the Saffman force and Magnus force on sand saltation are investigated. Turbulent flows in a channel and over a barchans dune are considered with sand particles injected into the flow. The results show that both of the forces increase the height and skipping distance of sand saltation, with the Magnus force giving more significant effect on the height. These forces can also increase the sand settling at the lee side of the barchans dune.

Characterization of High-Frequency Excitation of a Wake by Simulation

NASA Technical Reports Server (NTRS)

Cain, Alan B.; Rogers, Michael M.; Kibens, Valdis; Mansour, Nagi (Technical Monitor)

2003-01-01

Insights into the effects of high-frequency forcing on free shear layer evolution are gained through analysis of several direct numerical simulations. High-frequency forcing of a fully turbulent plane wake results in only a weak transient effect. On the other hand, significant changes in the developed turbulent state may result when high-frequency forcing is applied to a transitional wake. The impacts of varying the characteristics of the high-frequency forcing are examined, particularly, the streamwise wavenumber band in which forcing is applied and the initial amplitude of the forcing. The high-frequency excitation is found to increase the dissipation rate of turbulent kinetic energy, to reduce the turbulent kinetic energy production rate, and to reduce the turbulent kinetic energy suppression increases with forcing amplitude once a threshold level has been reached. For a given initial forcing energy, the largest reduction in turbulent kinetic energy density was achieved by forcing wavenumbers that are about two to three times the neutral wavenumber determined from linear stability theory.

Effect of wire size on maxillary arch force/couple systems for a simulated high canine malocclusion.

PubMed

Major, Paul W; Toogood, Roger W; Badawi, Hisham M; Carey, Jason P; Seru, Surbhi

2014-12-01

To better understand the effects of copper nickel titanium (CuNiTi) archwire size on bracket-archwire mechanics through the analysis of force/couple distributions along the maxillary arch. The hypothesis is that wire size is linearly related to the forces and moments produced along the arch. An Orthodontic Simulator was utilized to study a simplified high canine malocclusion. Force/couple distributions produced by passive and elastic ligation using two wire sizes (Damon 0.014 and 0.018 inch) measured with a sample size of 144. The distribution and variation in force/couple loading around the arch is a complicated function of wire size. The use of a thicker wire increases the force/couple magnitudes regardless of ligation method. Owing to the non-linear material behaviour of CuNiTi, this increase is less than would occur based on linear theory as would apply for stainless steel wires. The results demonstrate that an increase in wire size does not result in a proportional increase of applied force/moment. This discrepancy is explained in terms of the non-linear properties of CuNiTi wires. This non-proportional force response in relation to increased wire size warrants careful consideration when selecting wires in a clinical setting. © 2014 British Orthodontic Society.

Numerical simulation of rock fragmentation during cutting by conical picks under confining pressure

NASA Astrophysics Data System (ADS)

Li, Xuefeng; Wang, Shibo; Ge, Shirong; Malekian, Reza; Li, Zhixiong

2017-12-01

In this article, the effect of confining pressure on rock fragmentation process during cutting was investigated by numerical simulation with a discrete element method (DEM). Four kinds of sandstones with different physical properties were simulated in the rock cutting models under different confining pressures. The rock fragmentation process, the cutting force, and the specific energy under different confining pressures were analyzed. With the increase in confining pressure and rock strength, the vertical propagation of cracks was restrained. Rock samples were compacted and strengthened by confining pressure resulting in the increase of the cutting force. The specific energy of rock cutting linearly increased with the increase of the confining pressure ratio.

Effects of cross-bridge compliance on the force-velocity relationship and muscle power output

PubMed Central

Fenwick, Axel J.; Wood, Alexander M.

2017-01-01

Muscles produce force and power by utilizing chemical energy through ATP hydrolysis. During concentric contractions (shortening), muscles generate less force compared to isometric contractions, but consume greater amounts of energy as shortening velocity increases. Conversely, more force is generated and less energy is consumed during eccentric muscle contractions (lengthening). This relationship between force, energy use, and the velocity of contraction has important implications for understanding muscle efficiency, but the molecular mechanisms underlying this behavior remain poorly understood. Here we used spatially-explicit, multi-filament models of Ca2+-regulated force production within a half-sarcomere to simulate how force production, energy utilization, and the number of bound cross-bridges are affected by dynamic changes in sarcomere length. These computational simulations show that cross-bridge binding increased during slow-velocity concentric and eccentric contractions, compared to isometric contractions. Over the full ranges of velocities that we simulated, cross-bridge cycling and energy utilization (i.e. ATPase rates) increased during shortening, and decreased during lengthening. These findings are consistent with the Fenn effect, but arise from a complicated relationship between velocity-dependent cross-bridge recruitment and cross-bridge cycling kinetics. We also investigated how force production, power output, and energy utilization varied with cross-bridge and myofilament compliance, which is impossible to address under typical experimental conditions. These important simulations show that increasing cross-bridge compliance resulted in greater cross-bridge binding and ATPase activity, but less force was generated per cross-bridge and throughout the sarcomere. These data indicate that the efficiency of force production decreases in a velocity-dependent manner, and that this behavior is sensitive to cross-bridge compliance. In contrast, significant effects of myofilament compliance on force production were only observed during isometric contractions, suggesting that changes in myofilament compliance may not influence power output during non-isometric contractions as greatly as changes in cross-bridge compliance. These findings advance our understanding of how cross-bridge and myofilament properties underlie velocity-dependent changes in contractile efficiency during muscle movement. PMID:29284062

Effects of cross-bridge compliance on the force-velocity relationship and muscle power output.

PubMed

Fenwick, Axel J; Wood, Alexander M; Tanner, Bertrand C W

2017-01-01

Muscles produce force and power by utilizing chemical energy through ATP hydrolysis. During concentric contractions (shortening), muscles generate less force compared to isometric contractions, but consume greater amounts of energy as shortening velocity increases. Conversely, more force is generated and less energy is consumed during eccentric muscle contractions (lengthening). This relationship between force, energy use, and the velocity of contraction has important implications for understanding muscle efficiency, but the molecular mechanisms underlying this behavior remain poorly understood. Here we used spatially-explicit, multi-filament models of Ca2+-regulated force production within a half-sarcomere to simulate how force production, energy utilization, and the number of bound cross-bridges are affected by dynamic changes in sarcomere length. These computational simulations show that cross-bridge binding increased during slow-velocity concentric and eccentric contractions, compared to isometric contractions. Over the full ranges of velocities that we simulated, cross-bridge cycling and energy utilization (i.e. ATPase rates) increased during shortening, and decreased during lengthening. These findings are consistent with the Fenn effect, but arise from a complicated relationship between velocity-dependent cross-bridge recruitment and cross-bridge cycling kinetics. We also investigated how force production, power output, and energy utilization varied with cross-bridge and myofilament compliance, which is impossible to address under typical experimental conditions. These important simulations show that increasing cross-bridge compliance resulted in greater cross-bridge binding and ATPase activity, but less force was generated per cross-bridge and throughout the sarcomere. These data indicate that the efficiency of force production decreases in a velocity-dependent manner, and that this behavior is sensitive to cross-bridge compliance. In contrast, significant effects of myofilament compliance on force production were only observed during isometric contractions, suggesting that changes in myofilament compliance may not influence power output during non-isometric contractions as greatly as changes in cross-bridge compliance. These findings advance our understanding of how cross-bridge and myofilament properties underlie velocity-dependent changes in contractile efficiency during muscle movement.

Force-Induced Unravelling of DNA Origami.

PubMed

Engel, Megan C; Smith, David M; Jobst, Markus A; Sajfutdinow, Martin; Liedl, Tim; Romano, Flavio; Rovigatti, Lorenzo; Louis, Ard A; Doye, Jonathan P K

2018-05-31

The mechanical properties of DNA nanostructures are of widespread interest as applications that exploit their stability under constant or intermittent external forces become increasingly common. We explore the force response of DNA origami in comprehensive detail by combining AFM single molecule force spectroscopy experiments with simulations using oxDNA, a coarse-grained model of DNA at the nucleotide level, to study the unravelling of an iconic origami system: the Rothemund tile. We contrast the force-induced melting of the tile with simulations of an origami 10-helix bundle. Finally, we simulate a recently-proposed origami biosensor, whose function takes advantage of origami behaviour under tension. We observe characteristic stick-slip unfolding dynamics in our force-extension curves for both the Rothemund tile and the helix bundle and reasonable agreement with experimentally observed rupture forces for these systems. Our results highlight the effect of design on force response: we observe regular, modular unfolding for the Rothemund tile that contrasts with strain-softening of the 10-helix bundle which leads to catastropic failure under monotonically increasing force. Further, unravelling occurs straightforwardly from the scaffold ends inwards for the Rothemund tile, while the helix bundle unfolds more nonlinearly. The detailed visualization of the yielding events provided by simulation allows preferred pathways through the complex unfolding free-energy landscape to be mapped, as a key factor in determining relative barrier heights is the extensional release per base pair broken. We shed light on two important questions: how stable DNA nanostructures are under external forces; and what design principles can be applied to enhance stability.

The effect of aircraft control forces on pilot performance during instrument landings in a flight simulator.

PubMed

Hewson, D J; McNair, P J; Marshall, R N

2001-07-01

Pilots may have difficulty controlling aircraft at both high and low force levels due to larger variability in force production at these force levels. The aim of this study was to measure the force variability and landing performance of pilots during an instrument landing in a flight simulator. There were 12 pilots who were tested while performing 5 instrument landings in a flight simulator, each of which required different control force inputs. Pilots can produce the least force when pushing the control column to the right, therefore the force levels for the landings were set relative to each pilot's maximum aileron-right force. The force levels for the landings were 90%, 60%, and 30% of maximal aileron-right force, normal force, and 25% of normal force. Variables recorded included electromyographic activity (EMG), aircraft control forces, aircraft attitude, perceived exertion and deviation from glide slope and heading. Multivariate analysis of variance was used to test for differences between landings. Pilots were least accurate in landing performance during the landing at 90% of maximal force (p < 0.05). There was also a trend toward decreased landing performance during the landing at 25% of normal force. Pilots were more variable in force production during the landings at 60% and 90% of maximal force (p < 0.05). Pilots are less accurate at performing instrument landings when control forces are high due to the increased variability of force production. The increase in variability at high force levels is most likely associated with motor unit recruitment, rather than rate coding. Aircraft designers need to consider the reduction in pilot performance at high force levels, as well as pilot strength limits when specifying new standards.

Three-Dimensional Muscle Architecture and Comprehensive Dynamic Properties of Rabbit Gastrocnemius, Plantaris and Soleus: Input for Simulation Studies

PubMed Central

Siebert, Tobias; Leichsenring, Kay; Rode, Christian; Wick, Carolin; Stutzig, Norman; Schubert, Harald; Blickhan, Reinhard; Böl, Markus

2015-01-01

The vastly increasing number of neuro-muscular simulation studies (with increasing numbers of muscles used per simulation) is in sharp contrast to a narrow database of necessary muscle parameters. Simulation results depend heavily on rough parameter estimates often obtained by scaling of one muscle parameter set. However, in vivo muscles differ in their individual properties and architecture. Here we provide a comprehensive dataset of dynamic (n = 6 per muscle) and geometric (three-dimensional architecture, n = 3 per muscle) muscle properties of the rabbit calf muscles gastrocnemius, plantaris, and soleus. For completeness we provide the dynamic muscle properties for further important shank muscles (flexor digitorum longus, extensor digitorum longus, and tibialis anterior; n = 1 per muscle). Maximum shortening velocity (normalized to optimal fiber length) of the gastrocnemius is about twice that of soleus, while plantaris showed an intermediate value. The force-velocity relation is similar for gastrocnemius and plantaris but is much more bent for the soleus. Although the muscles vary greatly in their three-dimensional architecture their mean pennation angle and normalized force-length relationships are almost similar. Forces of the muscles were enhanced in the isometric phase following stretching and were depressed following shortening compared to the corresponding isometric forces. While the enhancement was independent of the ramp velocity, the depression was inversely related to the ramp velocity. The lowest effect strength for soleus supports the idea that these effects adapt to muscle function. The careful acquisition of typical dynamical parameters (e.g. force-length and force-velocity relations, force elongation relations of passive components), enhancement and depression effects, and 3D muscle architecture of calf muscles provides valuable comprehensive datasets for e.g. simulations with neuro-muscular models, development of more realistic muscle models, or simulation of muscle packages. PMID:26114955

Lightning Forcing in Global Fire Models: The Importance of Temporal Resolution

NASA Astrophysics Data System (ADS)

Felsberg, A.; Kloster, S.; Wilkenskjeld, S.; Krause, A.; Lasslop, G.

2018-01-01

In global fire models, lightning is typically prescribed from observational data with monthly mean temporal resolution while meteorological forcings, such as precipitation or temperature, are prescribed in a daily resolution. In this study, we investigate the importance of the temporal resolution of the lightning forcing for the simulation of burned area by varying from daily to monthly and annual mean forcing. For this, we utilize the vegetation fire model JSBACH-SPITFIRE to simulate burned area, forced with meteorological and lightning data derived from the general circulation model ECHAM6. On a global scale, differences in burned area caused by lightning forcing applied in coarser temporal resolution stay below 0.55% compared to the use of daily mean forcing. Regionally, however, differences reach up to 100%, depending on the region and season. Monthly averaged lightning forcing as well as the monthly lightning climatology cause differences through an interaction between lightning ignitions and fire prone weather conditions, accounted for by the fire danger index. This interaction leads to decreased burned area in the boreal zone and increased burned area in the Tropics and Subtropics under the coarser temporal resolution. The exclusion of interannual variability, when forced with the lightning climatology, has only a minor impact on the simulated burned area. Annually averaged lightning forcing causes differences as a direct result of the eliminated seasonal characteristics of lightning. Burned area is decreased in summer and increased in winter where fuel is available. Regions with little seasonality, such as the Tropics and Subtropics, experience an increase in burned area.

Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.

PubMed

Fischer, Nina M; van Maaren, Paul J; Ditz, Jonas C; Yildirim, Ahmet; van der Spoel, David

2015-07-14

In order to increase the accuracy of classical computer simulations, existing methodologies may need to be adapted. Hitherto, most force fields employ a truncated potential function to model van der Waals interactions, sometimes augmented with an analytical correction. Although such corrections are accurate for homogeneous systems with a long cutoff, they should not be used in inherently inhomogeneous systems such as biomolecular and interface systems. For such cases, a variant of the particle mesh Ewald algorithm (Lennard-Jones PME) was already proposed 20 years ago (Essmann et al. J. Chem. Phys. 1995, 103, 8577-8593), but it was implemented only recently (Wennberg et al. J. Chem. Theory Comput. 2013, 9, 3527-3537) in a major simulation code (GROMACS). The availability of this method allows surface tensions of liquids as well as bulk properties to be established, such as density and enthalpy of vaporization, without approximations due to truncation. Here, we report on simulations of ≈150 liquids (taken from a force field benchmark: Caleman et al. J. Chem. Theory Comput. 2012, 8, 61-74) using three different force fields and compare simulations with and without explicit long-range van der Waals interactions. We find that the density and enthalpy of vaporization increase for most liquids using the generalized Amber force field (GAFF, Wang et al. J. Comput. Chem. 2004, 25, 1157-1174) and the Charmm generalized force field (CGenFF, Vanommeslaeghe et al. J. Comput. Chem. 2010, 31, 671-690) but less so for OPLS/AA (Jorgensen and Tirado-Rives, Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6665-6670), which was parametrized with an analytical correction to the van der Waals potential. The surface tension increases by ≈10(-2) N/m for all force fields. These results suggest that van der Waals attractions in force fields are too strong, in particular for the GAFF and CGenFF. In addition to the simulation results, we introduce a new version of a web server, http://virtualchemistry.org, aimed at facilitating sharing and reuse of input files for molecular simulations.

Improved side-chain torsion potentials for the Amber ff99SB protein force field

PubMed Central

Lindorff-Larsen, Kresten; Piana, Stefano; Palmo, Kim; Maragakis, Paul; Klepeis, John L; Dror, Ron O; Shaw, David E

2010-01-01

Recent advances in hardware and software have enabled increasingly long molecular dynamics (MD) simulations of biomolecules, exposing certain limitations in the accuracy of the force fields used for such simulations and spurring efforts to refine these force fields. Recent modifications to the Amber and CHARMM protein force fields, for example, have improved the backbone torsion potentials, remedying deficiencies in earlier versions. Here, we further advance simulation accuracy by improving the amino acid side-chain torsion potentials of the Amber ff99SB force field. First, we used simulations of model alpha-helical systems to identify the four residue types whose rotamer distribution differed the most from expectations based on Protein Data Bank statistics. Second, we optimized the side-chain torsion potentials of these residues to match new, high-level quantum-mechanical calculations. Finally, we used microsecond-timescale MD simulations in explicit solvent to validate the resulting force field against a large set of experimental NMR measurements that directly probe side-chain conformations. The new force field, which we have termed Amber ff99SB-ILDN, exhibits considerably better agreement with the NMR data. Proteins 2010. © 2010 Wiley-Liss, Inc. PMID:20408171

Comparison of retention and stability of implant-retained overdentures based upon implant number and distribution.

PubMed

Scherer, Michael D; McGlumphy, Edwin A; Seghi, Robert R; Campagni, Wayne V

2013-01-01

The purpose of this investigation was to evaluate the effects of number and distribution of implants upon in vitro dislodging forces to a simulated implant-supported overdenture and to examine differences between several different attachment systems. An experiment was undertaken utilizing a model simulating a mandibular edentulous ridge with dental implants in positions on the model approximating tooth positions in the natural dentition. A cobalt-chromium-cast testing framework was used to measure the peak load required to disconnect an attachment. Four different types of commercially available attachments were used in various positions on the model in sequence to evaluate the effects of retention and stability of overdentures based on implant number and distribution: (1) ERA, (2) O-Ring, (3) Locator, and (4) Ball. For each group, 10 measurements were made of peak dislodging forces. Means were calculated and differences among the systems, directions, and groups were identified using a repeated measured analysis of variance (α = .05). The interactions between the attachment system, direction of force, and implant number and distribution were statistically significant. Vertical dislodging forces of the simulated overdenture prosthesis increased with additional widely spaced implants. Oblique dislodging forces of the simulated prosthesis increased with additional widely spaced implants except in the two-implant model with all attachments, and in the four-implant groups with Locator attachments. Anteroposterior dislodging forces of a simulated overdenture prosthesis increased with additional widely spaced implants except in the four-implant groups with Ball and Locator attachments. Ball attachments reported the highest levels of retention and stability followed by Locator, O-Ring, and ERA. Within the limitations of this study, retention and stability of an implant overdenture prosthesis are significantly affected by implant number, implant distribution, and abutment type.

The effect of spatial discretization upon traveling wave body forcing of a turbulent wall-bounded flow

NASA Astrophysics Data System (ADS)

You, Soyoung; Goldstein, David

2015-11-01

DNS is employed to simulate turbulent channel flow subject to a traveling wave body force field near the wall. The regions in which forces are applied are made progressively more discrete in a sequence of simulations to explore the boundaries between the effects of discrete flow actuators and spatially continuum actuation. The continuum body force field is designed to correspond to the ``optimal'' resolvent mode of McKeon and Sharma (2010), which has the L2 norm of σ1. That is, the normalized harmonic forcing that gives the largest disturbance energy is the first singular mode with the gain of σ1. 2D and 3D resolvent modes are examined at a modest Reτ of 180. For code validation, nominal flow simulations without discretized forcing are compared to previous work by Sharma and Goldstein (2014) in which we find that as we increase the forcing amplitude there is a decrease in the mean velocity and an increase in turbulent kinetic energy. The same force field is then sampled into isolated sub-domains to emulate the effect of discrete physical actuators. Several cases will be presented to explore the dependencies between the level of discretization and the turbulent flow behavior.

Numerical simulation of a flow past a triangular sail-type blade of a wind generator using the ANSYS FLUENT software package

NASA Astrophysics Data System (ADS)

Kusaiynov, K.; Tanasheva, N. K.; Min'kov, L. L.; Nusupbekov, B. R.; Stepanova, Yu. O.; Rozhkova, A. V.

2016-02-01

An air flow past a single triangular sail-type blade of a wind turbine is analyzed by numerical simulation for low velocities of the incoming flow. The results of numerical simulation indicate a monotonic increase in the drag force and the lift force as functions of the incoming flow; empirical dependences of these quantities are obtained.

Let's get honest about sampling.

PubMed

Mobley, David L

2012-01-01

Molecular simulations see widespread and increasing use in computation and molecular design, especially within the area of molecular simulations applied to biomolecular binding and interactions, our focus here. However, force field accuracy remains a concern for many practitioners, and it is often not clear what level of accuracy is really needed for payoffs in a discovery setting. Here, I argue that despite limitations of today's force fields, current simulation tools and force fields now provide the potential for real benefits in a variety of applications. However, these same tools also provide irreproducible results which are often poorly interpreted. Continued progress in the field requires more honesty in assessment and care in evaluation of simulation results, especially with respect to convergence.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stevens, Mark J.; Saleh, Omar A.

We calculated the force-extension curves for a flexible polyelectrolyte chain with varying charge separations by performing Monte Carlo simulations of a 5000 bead chain using a screened Coulomb interaction. At all charge separations, the force-extension curves exhibit a Pincus-like scaling regime at intermediate forces and a logarithmic regime at large forces. As the charge separation increases, the Pincus regime shifts to a larger range of forces and the logarithmic regime starts are larger forces. We also found that force-extension curve for the corresponding neutral chain has a logarithmic regime. Decreasing the diameter of bead in the neutral chain simulations removedmore » the logarithmic regime, and the force-extension curve tends to the freely jointed chain limit. In conclusion, this result shows that only excluded volume is required for the high force logarithmic regime to occur.« less

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

PubMed

Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

2012-02-14

Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

Experimental studies of protozoan response to intense magnetic fields and forces

NASA Astrophysics Data System (ADS)

Guevorkian, Karine

Intense static magnetic fields of up to 31 Tesla were used as a novel tool to manipulate the swimming mechanics of unicellular organisms. It is shown that homogenous magnetic fields alter the swimming trajectories of the single cell protozoan Paramecium caudatum, by aligning them parallel to the applied field. Immobile neutrally buoyant paramecia also oriented in magnetic fields with similar rates as the motile ones. It was established that the magneto-orientation is mostly due to the magnetic torques acting on rigid structures in the cell body and therefore the response is a non-biological, passive response. From the orientation rate of paramecia in various magnetic field strengths, the average anisotropy of the diamagnetic susceptibility of the cell was estimated. It has also been demonstrated that magnetic forces can be used to create increased, decreased and even inverted simulated gravity environments for the investigation of the gravi-responses of single cells. Since the mechanisms by which Earth's gravity affects cell functioning are still not fully understood, a number of methods to simulate different strength gravity environments, such as centrifugation, have been employed. Exploiting the ability to exert magnetic forces on weakly diamagnetic constituents of the cells, we were able to vary the gravity from -8 g to 10 g, where g is Earth's gravity. Investigations of the swimming response of paramecia in these simulated gravities revealed that they actively regulate their swimming speed to oppose the external force. This result is in agreement with centrifugation experiments, confirming the credibility of the technique. Moreover, the Paramecium's swimming ceased in simulated gravity of 10 g, indicating a maximum possible propulsion force of 0.7 nN. The magnetic force technique to simulate gravity is the only earthbound technique that can create increased and decreased simulated gravities in the same experimental setup. These findings establish a general technique for applying continuously variable forces to cells or cell populations suitable for exploring their force transduction mechanisms.

Intraarticular arthrofibrosis of the knee alters patellofemoral contact biomechanics.

PubMed

Mikula, Jacob D; Slette, Erik L; Dahl, Kimi D; Montgomery, Scott R; Dornan, Grant J; O'Brien, Luke; Turnbull, Travis Lee; Hackett, Thomas R

2017-12-19

Arthrofibrosis in the suprapatellar pouch and anterior interval can develop after knee injury or surgery, resulting in anterior knee pain. These adhesions have not been biomechanically characterized. The biomechanical effects of adhesions in the suprapatellar pouch and anterior interval during simulated quadriceps muscle contraction from 0 to 90° of knee flexion were assessed. Adhesions of the suprapatellar pouch and anterior interval were hypothesized to alter the patellofemoral contact biomechanics and increase the patellofemoral contact force compared to no adhesions. Across all flexion angles, suprapatellar adhesions increased the patellofemoral contact force compared to no adhesions by a mean of 80 N. Similarly, anterior interval adhesions increased the contact force by a mean of 36 N. Combined suprapatellar and anterior interval adhesions increased the mean patellofemoral contact force by 120 N. Suprapatellar adhesions resulted in a proximally translated patella from 0 to 60°, and anterior interval adhesions resulted in a distally translated patella at all flexion angles other than 15° (p < 0.05). The most important finding in this study was that patellofemoral contact forces were significantly increased by simulated adhesions in the suprapatellar pouch and anterior interval. Anterior knee pain and osteoarthritis may result from an increase in patellofemoral contact force due to patellar and quadriceps tendon adhesions. For these patients, arthroscopic lysis of adhesions may be beneficial.

The influence of wheelchair propulsion technique on upper extremity muscle demand: a simulation study.

PubMed

Rankin, Jeffery W; Kwarciak, Andrew M; Richter, W Mark; Neptune, Richard R

2012-11-01

The majority of manual wheelchair users will experience upper extremity injuries or pain, in part due to the high force requirements, repetitive motion and extreme joint postures associated with wheelchair propulsion. Recent studies have identified cadence, contact angle and peak force as important factors for reducing upper extremity demand during propulsion. However, studies often make comparisons between populations (e.g., able-bodied vs. paraplegic) or do not investigate specific measures of upper extremity demand. The purpose of this study was to use a musculoskeletal model and forward dynamics simulations of wheelchair propulsion to investigate how altering cadence, peak force and contact angle influence individual muscle demand. Forward dynamics simulations of wheelchair propulsion were generated to emulate group-averaged experimental data during four conditions: 1) self-selected propulsion technique, and while 2) minimizing cadence, 3) maximizing contact angle, and 4) minimizing peak force using biofeedback. Simulations were used to determine individual muscle mechanical power and stress as measures of muscle demand. Minimizing peak force and cadence had the lowest muscle power requirements. However, minimizing peak force increased cadence and recovery power, while minimizing cadence increased average muscle stress. Maximizing contact angle increased muscle stress and had the highest muscle power requirements. Minimizing cadence appears to have the most potential for reducing muscle demand and fatigue, which could decrease upper extremity injuries and pain. However, altering any of these variables to extreme values appears to be less effective; instead small to moderate changes may better reduce overall muscle demand. Copyright © 2012 Elsevier Ltd. All rights reserved.

Effect of Knudsen thermal force on the performance of low-pressure micro gas sensor

NASA Astrophysics Data System (ADS)

Barzegar Gerdroodbary, M.; Ganji, D. D.; Taeibi-Rahni, M.; Vakilipour, Shidvash

2017-07-01

In this paper, Direct Simulation Monte Carlo (DSMC) simulations were applied to investigate the mechanism of the force generation inside a low-pressure gas sensor. The flow feature and force generation mechanism inside a rectangular enclosure with heat and cold arms as the non-isothermal walls are comprehensively explained. In addition, extensive parametric studies are done to study the effects of physical parameters on the performance and characteristics of this device in different operating conditions. In this research, the Knudsen number is varied from 0.1 to 4.5 (0.5 to 11torr) to reveal all the characteristics of the thermally driven force inside the MEMS sensor. In order to simulate a rarefied gas inside the micro gas detector, Boltzmann equations are applied to obtain high-precision results. The effects of ambient pressure and temperature difference of arms are comprehensively investigated. Our findings show that maximum force increases more than 7 times when the temperature difference of the cold and hot arms is increased from 10 to 100K. In addition, the results demonstrate that the thermal gradient at rarefied pressure induces complex structure, and the mechanism of force generation highly varies at different pressure conditions.

Gaining insight into the physics of dynamic atomic force microscopy in complex environments using the VEDA simulator

NASA Astrophysics Data System (ADS)

Kiracofe, Daniel; Melcher, John; Raman, Arvind

2012-01-01

Dynamic atomic force microscopy (dAFM) continues to grow in popularity among scientists in many different fields, and research on new methods and operating modes continues to expand the resolution, capabilities, and types of samples that can be studied. But many promising increases in capability are accompanied by increases in complexity. Indeed, interpreting modern dAFM data can be challenging, especially on complicated material systems, or in liquid environments where the behavior is often contrary to what is known in air or vacuum environments. Mathematical simulations have proven to be an effective tool in providing physical insight into these non-intuitive systems. In this article we describe recent developments in the VEDA (virtual environment for dynamic AFM) simulator, which is a suite of freely available, open-source simulation tools that are delivered through the cloud computing cyber-infrastructure of nanoHUB (www.nanohub.org). Here we describe three major developments. First, simulations in liquid environments are improved by enhancements in the modeling of cantilever dynamics, excitation methods, and solvation shell forces. Second, VEDA is now able to simulate many new advanced modes of operation (bimodal, phase-modulation, frequency-modulation, etc.). Finally, nineteen different tip-sample models are available to simulate the surface physics of a wide variety different material systems including capillary, specific adhesion, van der Waals, electrostatic, viscoelasticity, and hydration forces. These features are demonstrated through example simulations and validated against experimental data, in order to provide insight into practical problems in dynamic AFM.

Gaining insight into the physics of dynamic atomic force microscopy in complex environments using the VEDA simulator.

PubMed

Kiracofe, Daniel; Melcher, John; Raman, Arvind

2012-01-01

Dynamic atomic force microscopy (dAFM) continues to grow in popularity among scientists in many different fields, and research on new methods and operating modes continues to expand the resolution, capabilities, and types of samples that can be studied. But many promising increases in capability are accompanied by increases in complexity. Indeed, interpreting modern dAFM data can be challenging, especially on complicated material systems, or in liquid environments where the behavior is often contrary to what is known in air or vacuum environments. Mathematical simulations have proven to be an effective tool in providing physical insight into these non-intuitive systems. In this article we describe recent developments in the VEDA (virtual environment for dynamic AFM) simulator, which is a suite of freely available, open-source simulation tools that are delivered through the cloud computing cyber-infrastructure of nanoHUB (www.nanohub.org). Here we describe three major developments. First, simulations in liquid environments are improved by enhancements in the modeling of cantilever dynamics, excitation methods, and solvation shell forces. Second, VEDA is now able to simulate many new advanced modes of operation (bimodal, phase-modulation, frequency-modulation, etc.). Finally, nineteen different tip-sample models are available to simulate the surface physics of a wide variety different material systems including capillary, specific adhesion, van der Waals, electrostatic, viscoelasticity, and hydration forces. These features are demonstrated through example simulations and validated against experimental data, in order to provide insight into practical problems in dynamic AFM.

Mechanical signals at the base of a rat vibrissa: the effect of intrinsic vibrissa curvature and implications for tactile exploration

PubMed Central

Quist, Brian W.

2012-01-01

Rats actively tap and sweep their large mystacial vibrissae (whiskers) against objects to tactually explore their surroundings. When a vibrissa makes contact with an object, it bends, and this bending generates forces and bending moments at the vibrissa base. Researchers have only recently begun to quantify these mechanical variables. The present study quantifies the forces and bending moments at the vibrissa base with a quasi-static model of vibrissa deflection. The model was validated with experiments on real vibrissae. Initial simulations demonstrated that almost all vibrissa-object collisions during natural behavior will occur with the concave side of the vibrissa facing the object, and we therefore paid particular attention to the role of the vibrissa's intrinsic curvature in shaping the forces at the base. Both simulations and experiments showed that vibrissae with larger intrinsic curvatures will generate larger axial forces. Simulations also demonstrated that the range of forces and moments at the vibrissal base vary over approximately three orders of magnitude, depending on the location along the vibrissa at which object contact is made. Both simulations and experiments demonstrated that collisions in which the concave side of the vibrissa faces the object generate longer-duration contacts and larger net forces than collisions with the convex side. These results suggest that the orientation of the vibrissa's intrinsic curvature on the mystacial pad may increase forces during object contact and provide increased sensitivity to detailed surface features. PMID:22298834

An Improved Maintenance Model for the Simulation of Strategic Airlift Capability.

DTIC Science & Technology

1982-03-01

developed using SLAM as the primary simulation language. Maintenance manning is modeled at the Air Force Specialty Code level, to allow the possibility of...Atlantic Treaty Organization (NATO) allies is one of our primary national objectives, but recent increases in Soviet ground and air forces (Ref 5:100) have...arrive from the United States. Consequently, the primary objective of the United States Air Force mobility program is to be able, by 1982, to double the

The Influence of Altering Push Force Effectiveness on Upper Extremity Demand during Wheelchair Propulsion

PubMed Central

Rankin, Jeffery W.; Kwarciak, Andrew M.; Richter, W. Mark; Neptune, Richard R.

2010-01-01

Manual wheelchair propulsion has been linked to a high incidence of overuse injury and pain in the upper extremity, which may be caused by the high load requirements and low mechanical efficiency of the task. Previous studies have suggested that poor mechanical efficiency may be due to a low effective handrim force (i.e. applied force that is not directed tangential to the handrim). As a result, studies attempting to reduce upper extremity demand have used various measures of force effectiveness (e.g. fraction effective force, FEF) as a guide for modifying propulsion technique, developing rehabilitation programs and configuring wheelchairs. However, the relationship between FEF and upper extremity demand is not well understood. The purpose of this study was to use forward dynamics simulations of wheelchair propulsion to determine the influence of FEF on upper extremity demand by quantifying individual muscle stress, work and handrim force contributions at different values of FEF. Simulations maximizing and minimizing FEF resulted in higher average muscle stresses (23% and 112%) and total muscle work (28% and 71%) compared to a nominal FEF simulation. The maximal FEF simulation also shifted muscle use from muscles crossing the elbow to those at the shoulder (e.g. rotator cuff muscles), placing greater demand on shoulder muscles during propulsion. The optimal FEF value appears to represent a balance between increasing push force effectiveness to increase mechanical efficiency and minimizing upper extremity demand. Thus, care should be taken in using force effectiveness as a metric to reduce upper extremity demand. PMID:20674921

Force field dependent solution properties of glycine oligomers

PubMed Central

Drake, Justin A.

2015-01-01

Molecular simulations can be used to study disordered polypeptide systems and to generate hypotheses on the underlying structural and thermodynamic mechanisms that govern their function. As the number of disordered protein systems investigated with simulations increase, it is important to understand how particular force fields affect the structural properties of disordered polypeptides in solution. To this end, we performed a comparative structural analysis of Gly3 and Gly10 in aqueous solution from all-atom, microsecond MD simulations using the CHARMM 27 (C27), CHARMM 36 (C36), and Amber ff12SB force fields. For each force field, Gly3 and Gly10 were simulated for at least 300 ns and 1 μs, respectively. Simulating oligoglycines of two different lengths allows us to evaluate how force field effects depend on polypeptide length. Using a variety of structural metrics (e.g. end-to-end distance, radius of gyration, dihedral angle distributions), we characterize the distribution of oligoglycine conformers for each force field and show that each sample conformation space differently, yielding considerably different structural tendencies of the same oligoglycine model in solution. Notably, we find that C36 samples more extended oligoglycine structures than both C27 and ff12SB. PMID:25952623

A grouping method based on grid density and relationship for crowd evacuation simulation

NASA Astrophysics Data System (ADS)

Li, Yan; Liu, Hong; Liu, Guang-peng; Li, Liang; Moore, Philip; Hu, Bin

2017-05-01

Psychological factors affect the movement of people in the competitive or panic mode of evacuation, in which the density of pedestrians is relatively large and the distance among them is small. In this paper, a crowd is divided into groups according to their social relations to simulate the actual movement of crowd evacuation more realistically and increase the attractiveness of the group based on social force model. The force of group attraction is the synthesis of two forces; one is the attraction of the individuals generated by their social relations to gather, and the other is that of the group leader to the individuals within the group to ensure that the individuals follow the leader. The synthetic force determines the trajectory of individuals. The evacuation process is demonstrated using the improved social force model. In the improved social force model, the individuals with close social relations gradually present a closer and coordinated action while following the leader. In this paper, a grouping algorithm is proposed based on grid density and relationship via computer simulation to illustrate the features of the improved social force model. The definition of the parameters involved in the algorithm is given, and the effect of relational value on the grouping is tested. Reasonable numbers of grids and weights are selected. The effectiveness of the algorithm is shown through simulation experiments. A simulation platform is also established using the proposed grouping algorithm and the improved social force model for crowd evacuation simulation.

The preliminary checkout, evaluation and calibration of a 3-component force measurement system for calibrating propulsion simulators for wind tunnel models

NASA Technical Reports Server (NTRS)

Scott, W. A.

1984-01-01

The propulsion simulator calibration laboratory (PSCL) in which calibrations can be performed to determine the gross thrust and airflow of propulsion simulators installed in wind tunnel models is described. The preliminary checkout, evaluation and calibration of the PSCL's 3 component force measurement system is reported. Methods and equipment were developed for the alignment and calibration of the force measurement system. The initial alignment of the system demonstrated the need for more efficient means of aligning system's components. The use of precision alignment jigs increases both the speed and accuracy with which the system is aligned. The calibration of the force measurement system shows that the methods and equipment for this procedure can be successful.

Quality, Quantity, And Surprise! Trade-Offs In X-Raser ASAT Attrition

NASA Astrophysics Data System (ADS)

Callaham, Michael B.; Scibilia, Frank M.

1984-08-01

In order to characterize the effects of technological superiority, numerical superiority, and pre-emption on space battle outcomes, we have constructed a battle simulation in which "Red" and "Blue" ASATs, each armed with a specified number of x-ray lasers of specified range, move along specified orbits and fire on one another according to a pair of battle management algorithms. The simulated battle proceeds until apparent steady-state force levels are reached. Battle outcomes are characterized by terminal force ratio and by terminal force-exchange ratio as effective weapon range, multiplicity (x-rasers per ASAT), and pre-emptive role are varied parametrically. A major conclusion is that pre-emptive advantage increases with increasing x-raser range and multiplicity (x-rasers per ASAT) and with increasing force size. That is, the "use 'em or lose 'em" dilemma will become more stark as such weapons are refined and proliferated.

Effects of spine flexion and erector spinae maximal force on vertical squat jump height: a computational simulation study.

PubMed

Blache, Yoann; Monteil, Karine

2015-03-01

The purpose of this study was to evaluate the single and combined effects of initial spine flexion and maximal isometric force of the erector spinae on maximal vertical jump height during maximal squat jumping. Seven initial flexions of the 'thorax-head-arm' segment (between 20.1° and 71.6°) and five maximal isometric forces of the erector spinae (between 5600 and 8600 N) were tested. Thus, 35 squat jumps were simulated using a 2D simulation model of the musculoskeletal system. Vertical jump height varied at most about 0.094 and 0.021 m when the initial flexion of the 'thorax-head-arm' segment and the maximal force of the erector spinae were, respectively, maximal. These results were explained for the most part by the variation of total muscle work. The latter was mainly influenced by the work produced by the erector spinae which increased at most about 57 and 110 J when the initial flexion of the 'thorax-head-arm' segment and the maximal force of the erector spinae were, respectively, maximal. It was concluded that the increase in the initial flexion of the 'thorax-head-arm' segment and in the maximal isometric force of the erector spinae enables an increase in maximal vertical jump height during maximal squat jumping.

Sensitivity of Force Fields on Mechanical Properties of Metals Predicted by Atomistic Simulations

NASA Astrophysics Data System (ADS)

Rassoulinejad-Mousavi, Seyed Moein; Zhang, Yuwen

Increasing number of micro/nanoscale studies for scientific and engineering applications, leads to huge deployment of atomistic simulations such as molecular dynamics and Monte-Carlo simulation. Many complains from users in the simulation community arises for obtaining wrong results notwithstanding of correct simulation procedure and conditions. Improper choice of force field, known as interatomic potential is the likely causes. For the sake of users' assurance, convenience and time saving, several interatomic potentials are evaluated by molecular dynamics. Elastic properties of multiple FCC and BCC pure metallic species are obtained by LAMMPS, using different interatomic potentials designed for pure species and their alloys at different temperatures. The potentials created based on the Embedded Atom Method (EAM), Modified EAM (MEAM) and ReaX force fields, adopted from available open databases. Independent elastic stiffness constants of cubic single crystals for different metals are obtained. The results are compared with the experimental ones available in the literature and deviations for each force field are provided at each temperature. Using current work, users of these force fields can easily judge on the one they are going to designate for their problem.

Direct numerical simulation of moderate-Reynolds-number flow past arrays of rotating spheres

NASA Astrophysics Data System (ADS)

Zhou, Qiang; Fan, Liang-Shih

2015-07-01

Direct numerical simulations with an immersed boundary-lattice Boltzmann method are used to investigate the effects of particle rotation on flows past random arrays of mono-disperse spheres at moderate particle Reynolds numbers. This study is an extension of a previous study of the authors [Q. Zhou and L.-S. Fan, "Direct numerical simulation of low-Reynolds-number flow past arrays of rotating spheres," J. Fluid Mech. 765, 396-423 (2015)] that explored the effects of particle rotation at low particle Reynolds numbers. The results of this study indicate that as the particle Reynolds number increases, the normalized Magnus lift force decreases rapidly when the particle Reynolds number is in the range lower than 50. For the particle Reynolds number greater than 50, the normalized Magnus lift force approaches a constant value that is invariant with solid volume fractions. The proportional dependence of the Magnus lift force on the rotational Reynolds number (based on the angular velocity and the diameter of the spheres) observed at low particle Reynolds numbers does not change in the present study, making the Magnus lift force another possible factor that can significantly affect the overall dynamics of fluid-particle flows other than the drag force. Moreover, it is found that both the normalized drag force and the normalized torque increase with the increase of the particle Reynolds number and the solid volume fraction. Finally, correlations for the drag force, the Magnus lift force, and the torque in random arrays of rotating spheres at arbitrary solids volume fractions, rotational Reynolds numbers, and particle Reynolds numbers are formulated.

International benchmarking of longitudinal train dynamics simulators: results

NASA Astrophysics Data System (ADS)

Wu, Qing; Spiryagin, Maksym; Cole, Colin; Chang, Chongyi; Guo, Gang; Sakalo, Alexey; Wei, Wei; Zhao, Xubao; Burgelman, Nico; Wiersma, Pier; Chollet, Hugues; Sebes, Michel; Shamdani, Amir; Melzi, Stefano; Cheli, Federico; di Gialleonardo, Egidio; Bosso, Nicola; Zampieri, Nicolò; Luo, Shihui; Wu, Honghua; Kaza, Guy-Léon

2018-03-01

This paper presents the results of the International Benchmarking of Longitudinal Train Dynamics Simulators which involved participation of nine simulators (TABLDSS, UM, CRE-LTS, TDEAS, PoliTo, TsDyn, CARS, BODYSIM and VOCO) from six countries. Longitudinal train dynamics results and computing time of four simulation cases are presented and compared. The results show that all simulators had basic agreement in simulations of locomotive forces, resistance forces and track gradients. The major differences among different simulators lie in the draft gear models. TABLDSS, UM, CRE-LTS, TDEAS, TsDyn and CARS had general agreement in terms of the in-train forces; minor differences exist as reflections of draft gear model variations. In-train force oscillations were observed in VOCO due to the introduction of wheel-rail contact. In-train force instabilities were sometimes observed in PoliTo and BODYSIM due to the velocity controlled transitional characteristics which could have generated unreasonable transitional stiffness. Regarding computing time per train operational second, the following list is in order of increasing computing speed: VOCO, TsDyn, PoliTO, CARS, BODYSIM, UM, TDEAS, CRE-LTS and TABLDSS (fastest); all simulators except VOCO, TsDyn and PoliTo achieved faster speeds than real-time simulations. Similarly, regarding computing time per integration step, the computing speeds in order are: CRE-LTS, VOCO, CARS, TsDyn, UM, TABLDSS and TDEAS (fastest).

Computing fluid-particle interaction forces for nano-suspension droplet spreading: molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Zhou, Weizhou; Shi, Baiou; Webb, Edmund

2017-11-01

Recently, there are many experimental and theoretical studies to understand and control the dynamic spreading of nano-suspension droplets on solid surfaces. However, fundamental understanding of driving forces dictating the kinetics of nano-suspension wetting and spreading, especially capillary forces that manifest during the process, is lacking. Here, we present results from atomic scale simulations that were used to compute forces between suspended particles and advancing liquid fronts. The role of nano-particle size, particle loading, and interaction strength on forces computed from simulations will be discussed. Results demonstrate that increasing the particle size dramatically changes observed wetting behavior from depinning to pinning. From simulations on varying particle size, a relationship between computed forces and particle size is advanced and compared to existing expressions in the literature. High particle loading significantly slowed spreading kinetics, by introducing tortuous transport paths for liquid delivery to the advancing contact line. Lastly, we show how weakening the interaction between the particle and the underlying substrate can change a system from exhibiting pinning behavior to de-pinning.

Simulating Fiber Ordering and Aggregation In Shear Flow Using Dissipative Particle Dynamics

NASA Astrophysics Data System (ADS)

Stimatze, Justin T.

We have developed a mesoscale simulation of fiber aggregation in shear flow using LAMMPS and its implementation of dissipative particle dynamics. Understanding fiber aggregation in shear flow and flow-induced microstructural fiber networks is critical to our interest in high-performance composite materials. Dissipative particle dynamics enables the consideration of hydrodynamic interactions between fibers through the coarse-grained simulation of the matrix fluid. Correctly simulating hydrodynamic interactions and accounting for fluid forces on the microstructure is required to correctly model the shear-induced aggregation process. We are able to determine stresses, viscosity, and fiber forces while simulating the evolution of a model fiber system undergoing shear flow. Fiber-fiber contact interactions are approximated by combinations of common pairwise forces, allowing the exploration of interaction-influenced fiber behaviors such as aggregation and bundling. We are then able to quantify aggregate structure and effective volume fraction for a range of relevant system and fiber-fiber interaction parameters. Our simulations have demonstrated several aggregate types dependent on system parameters such as shear rate, short-range attractive forces, and a resistance to relative rotation while in contact. A resistance to relative rotation at fiber-fiber contact points has been found to strongly contribute to an increased angle between neighboring aggregated fibers and therefore an increase in average aggregate volume fraction. This increase in aggregate volume fraction is strongly correlated with a significant enhancement of system viscosity, leading us to hypothesize that controlling the resistance to relative rotation during manufacturing processes is important when optimizing for desired composite material characteristics.

The Effect of Varying Jaw-elevator Muscle Forces on a Finite Element Model of a Human Cranium.

PubMed

Toro-Ibacache, Viviana; O'Higgins, Paul

2016-07-01

Finite element analyses simulating masticatory system loading are increasingly undertaken in primates, hominin fossils and modern humans. Simplifications of models and loadcases are often required given the limits of data and technology. One such area of uncertainty concerns the forces applied to cranial models and their sensitivity to variations in these forces. We assessed the effect of varying force magnitudes among jaw-elevator muscles applied to a finite element model of a human cranium. The model was loaded to simulate incisor and molar bites using different combinations of muscle forces. Symmetric, asymmetric, homogeneous, and heterogeneous muscle activations were simulated by scaling maximal forces. The effects were compared with respect to strain distribution (i.e., modes of deformation) and magnitudes; bite forces and temporomandibular joint (TMJ) reaction forces. Predicted modes of deformation, strain magnitudes and bite forces were directly proportional to total applied muscle force and relatively insensitive to the degree of heterogeneity of muscle activation. However, TMJ reaction forces and mandibular fossa strains decrease and increase on the balancing and working sides according to the degree of asymmetry of loading. These results indicate that when modes, rather than magnitudes, of facial deformation are of interest, errors in applied muscle forces have limited effects. However the degree of asymmetric loading does impact on TMJ reaction forces and mandibular fossa strains. These findings are of particular interest in relation to studies of skeletal and fossil material, where muscle data are not available and estimation of muscle forces from skeletal proxies is prone to error. Anat Rec, 299:828-839, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Air Force Medical Modeling and Simulation: Bringing Virtual Reality to Reality

DTIC Science & Technology

2011-01-26

OMB control number. 1. REPORT DATE 26 JAN 2011 2. REPORT TYPE 3. DATES COVERED 00-00-2011 to 00-00-2011 4 . TITLE AND SUBTITLE Air Force...7 Over $ 4 billion added to Medicare health care cost! 2011 MHS Conference One Decade Later… 8 •10% increase inpatient deaths from medication errors in...Conference “Hub & Spoke” Simulation Network Facilities grouped into 4 -tiered system based on training requirements and simulation capability Category

Effects of CO2 Physiological Forcing on Amazon Climate

NASA Astrophysics Data System (ADS)

Halladay, K.; Good, P.; Kay, G.; Betts, R.

2014-12-01

Earth system models provide us with an opportunity to examine the complex interactions and feedbacks between land surface, vegetation and atmosphere. A more thorough understanding of these interactions is essential in reducing uncertainty surrounding the potential impacts of climate and environmental change on the future state and extent of the Amazon rainforest. This forest is a important resource for the region and globally in terms of ecosystem services, hydrology and biodiversity. We aim to investigate the effect of CO2 physiological forcing on the Amazon rainforest and its feedback on regional climate by using the CMIP5 idealised 1% CO2 simulations with a focus on HadGEM2-ES. In these simulations, the atmospheric CO2 concentration is increased by 1% per year for 140 years, reaching around 1150ppm at the end of the simulation. The use of idealised simulations allows the effect of CO2 to be separated from other forcings and the sensitivities to be quantified. In particular, it enables non-linear feedbacks to be identified. In addition to the fully coupled 1% CO2 simulation, in which all schemes respond to the forcing, we use simulations in which (a) only the biochemistry scheme sees the rising CO2 concentration, and (b) in which rising CO2 is only seen by the radiation scheme. With these simulations we examine the degree to which CO2 effects are additive or non-linear when in combination. We also show regional differences in climate and vegetation response, highlighting areas of increased sensitivity.

Dynamic analysis of trapping and escaping in dual beam optical trap

NASA Astrophysics Data System (ADS)

Li, Wenqiang; Hu, Huizhu; Su, Heming; Li, Zhenggang; Shen, Yu

2016-10-01

In this paper, we simulate the dynamic movement of a dielectric sphere in optical trap. This dynamic analysis can be used to calibrate optical forces, increase trapping efficiency and measure viscous coefficient of surrounding medium. Since an accurate dynamic analysis is based on a detailed force calculation, we calculate all forces a sphere receives. We get the forces of dual-beam gradient radiation pressure on a micron-sized dielectric sphere in the ray optics regime and utilize Einstein-Ornstein-Uhlenbeck to deal with its Brownian motion forces. Hydrodynamic viscous force also exists when the sphere moves in liquid. Forces from buoyance and gravity are also taken into consideration. Then we simulate trajectory of a sphere when it is subject to all these forces in a dual optical trap. From our dynamic analysis, the sphere can be trapped at an equilibrium point in static water, although it permanently fluctuates around the equilibrium point due to thermal effects. We go a step further to analyze the effects of misalignment of two optical traps. Trapping and escaping phenomena of the sphere in flowing water are also simulated. In flowing water, the sphere is dragged away from the equilibrium point. This dragging distance increases with the decrease of optical power, which results in escaping of the sphere with optical power below a threshold. In both trapping and escaping process we calculate the forces and position of the sphere. Finally, we analyze a trapping region in dual optical tweezers.

Climate Response to the Increase in Tropospheric Ozone since Preindustrial Times: A Comparison between Ozone and Equivalent CO2 Forcings

NASA Technical Reports Server (NTRS)

Mickley L. J.; Jacob, D. J.; Field, B. D.; Rind, D.

2004-01-01

We examine the characteristics of the climate response to anthropogenic changes in tropospheric ozone. Using a general circulation model, we have carried out a pair of equilibrium climate simulations with realistic present-day and preindustrial ozone distributions. We find that the instantaneous radiative forcing of 0.49 W m(sup -2) due to the increase in tropospheric ozone since preindustrial times results in an increase in global mean surface temperature of 0.28 C. The increase is nearly 0.4 C in the Northern Hemisphere and about 0.2 C in the Southern Hemisphere. The largest increases (greater than 0.8 C) are downwind of Europe and Asia and over the North American interior in summer. In the lower stratosphere, global mean temperatures decrease by about 0.2 C due to the diminished upward flux of radiation at 9.6 micrometers. The largest stratospheric cooling, up to 1.0 C, occurs over high northern latitudes in winter, with possibly important implications for the formation of polar stratospheric clouds. To identify the characteristics of climate forcing unique to tropospheric ozone, we have conducted two additional climate equilibrium simulations: one in which preindustrial tropospheric ozone concentrations were increased everywhere by 18 ppb, producing the same global radiative forcing as present-day ozone but without the heterogeneity; and one in which CO2 was decreased by 25 ppm relative to present day, with ozone at present-day values, to again produce the same global radiative forcing but with the spectral signature of CO2 rather than ozone. In the first simulation (uniform increase of ozone), the global mean surface temperature increases by 0.25 C, with an interhemispheric difference of only 0.03 C, as compared with nearly 0.2 C for the heterogeneous ozone increase. In the second simulation (equivalent CO2), the global mean surface temperature increases by 0.36 C, 30% higher than the increase from tropospheric ozone. The stronger surface warming from CO2 is in part because CO2 forcing (obscured by water vapor) is shifted relatively poleward where the positive ice-albedo feedback amplifies the climate response and in part because the magnitude of the CO2 forcing in the mid-troposphere is double that of ozone. However, we find that CO2 is far less effective than tropospheric ozone in driving lower stratospheric cooling at high northern latitudes in winter.

Is optimal paddle force applied during paediatric external defibrillation?

PubMed

Bennetts, Sarah H; Deakin, Charles D; Petley, Graham W; Clewlow, Frank

2004-01-01

Optimal paddle force minimises transthoracic impedance; a factor associated with increased defibrillation success. Optimal force for the defibrillation of children < or =10 kg using paediatric paddles has previously been shown to be 2.9 kgf, and for children >10 kg using adult paddles is 5.1 kgf. We compared defibrillation paddle force applied during simulated paediatric defibrillation with these optimal values. 72 medical and nursing staff who would be expected to perform paediatric defibrillation were recruited from a University teaching hospital. Participants, blinded to the nature of the study, were asked to simulate defibrillation of an infant manikin (9 months of age) and a child manikin (6 years of age) using paediatric or adult paddles, respectively, according to guidelines. Paddle force (kgf) was measured at the time of simulated shock and compared with known optimal values. Median paddle force applied to the infant manikin was 2.8 kgf (max 9.6, min 0.6), with only 47% operators attaining optimal force. Median paddle force applied to the child manikin was 3.8 kgf (max 10.2, min 1.0), with only 24% of operators attaining optimal force. Defibrillation paddle force applied during paediatric defibrillation often falls below optimal values.

Enhancement of Feedback Efficiency by Active Galactic Nucleus Outflows via the Magnetic Tension Force in the Inhomogeneous Interstellar Medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Asahina, Yuta; Ohsuga, Ken; Nomura, Mariko, E-mail: asahina@cfca.jp

By performing three-dimensional magnetohydrodynamics simulations of subrelativistic jets and disk winds propagating into the magnetized inhomogeneous interstellar medium (ISM), we investigate the magnetic effects on the active galactic nucleus feedback. Our simulations reveal that the magnetic tension force promotes the acceleration of the dense gas clouds, since the magnetic field lines, which are initially straight, bend around the gas clouds. In the jet models, the velocity dispersion of the clouds increases with an increase in the initial magnetic fields. The increment of the kinetic energy of the clouds is proportional to the initial magnetic fields, implying that the magnetic tensionmore » force increases the energy conversion efficiency from the jet to the gas clouds. Through simulations of the mildly collimated disk wind and the funnel-shaped disk wind, we confirm that such an enhancement of the energy conversion efficiency via the magnetic fields appears even if the energy is injected via the disk winds. The enhancement of the acceleration of the dense part of the magnetized ISM via the magnetic tension force will occur wherever the magnetized inhomogeneous matter is blown away.« less

Fluid flow through a high cell density fluidized-bed during centrifugal bioreactor culture.

PubMed

Detzel, Christopher J; Van Wie, Bernard J; Ivory, Cornelius F

2010-01-01

An increasing demand for products such as tissues, proteins, and antibodies from mammalian cell suspension cultures is driving interest in increasing production through high-cell density bioreactors. The centrifugal bioreactor (CCBR) retains cells by balancing settling forces with surface drag forces due to medium throughput and is capable of maintaining cell densities above 10(8) cells/mL. This article builds on a previous study where the fluid mechanics of an empty CCBR were investigated showing fluid flow is nonuniform and dominated by Coriolis forces, raising concerns about nutrient and cell distribution. In this article, we demonstrate that the previously reported Coriolis forces are still present in the CCBR, but masked by the presence of cells. Experimental dye injection observations during culture of 15 microm hybridoma cells show a continual uniform darkening of the cell bed, indicating the region of the reactor containing cells is well mixed. Simulation results also indicate the cell bed is well mixed during culture of mammalian cells ranging in size from 10 to 20 microm. However, simulations also allow for a slight concentration gradient to be identified and attributed to Coriolis forces. Experimental results show cell density increases from 0.16 to 0.26 when centrifugal force is doubled by increasing RPM from 650 to 920 at a constant inlet velocity of 6.5 cm/s; an effect also observed in the simulation. Results presented in this article indicate cells maintained in the CCBR behave as a high-density fluidized bed of cells providing a homogeneous environment to ensure optimal growth conditions. (c) 2010 American Institute of Chemical Engineers

Fluid Flow through a High Cell Density Fluidized-Bed during Centrifugal Bioreactor Culture

PubMed Central

Detzel, Christopher J.; Van Wie, Bernard J.; Ivory, Cornelius F.

2010-01-01

An increasing demand for products such as tissues, proteins, and antibodies from mammalian cell suspension cultures is driving interest in increasing production through high-cell density bioreactors. The centrifugal bioreactor (CCBR) retains cells by balancing settling forces with surface drag forces due to medium throughput and is capable of maintaining cell densities above 108 cells/mL. This article builds on a previous study where the fluid mechanics of an empty CCBR were investigated showing fluid flow is nonuniform and dominated by Coriolis forces, raising concerns about nutrient and cell distribution. In this article, we demonstrate that the previously reported Coriolis forces are still present in the CCBR, but masked by the presence of cells. Experimental dye injection observations during culture of 15 μm hybridoma cells show a continual uniform darkening of the cell bed, indicating the region of the reactor containing cells is well mixed. Simulation results also indicate the cell bed is well mixed during culture of mammalian cells ranging in size from 10 to 20 μm. However, simulations also allow for a slight concentration gradient to be identified and attributed to Coriolis forces. Experimental results show cell density increases from 0.16 to 0.26 when centrifugal force is doubled by increasing RPM from 650 to 920 at a constant inlet velocity of 6.5 cm/s; an effect also observed in the simulation. Results presented in this article indicate cells maintained in the CCBR behave as a high-density fluidized bed of cells providing a homogeneous environment to ensure optimal growth conditions. PMID:20205172

Impact Load Behavior between Different Charge and Lifter in a Laboratory-Scale Mill

PubMed Central

Yin, Zixin; Zhu, Zhencai; Yu, Zhangfa; Li, Tongqing

2017-01-01

The impact behavior between the charge and lifter has significant effect to address the mill processing, and is affected by various factors including mill speed, mill filling, lifter height and media shape. To investigate the multi-body impact load behavior, a series of experiments and Discrete Element Method (DEM) simulations were performed on a laboratory-scale mill, in order to improve the grinding efficiency and prolong the life of the lifter. DEM simulation hitherto has been extensively applied as a leading tool to describe diverse issues in granular processes. The research results shown as follows: The semi-empirical power draw of Bond model in this paper does not apply very satisfactorily for the ball mills, while the power draw determined by DEM simulation show a good approximation for the measured power draw. Besides, the impact force on the lifter was affected by mill speed, grinding media filling, lifter height and iron ore particle. The maximum percent of the impact force between 600 and 1400 N is at 70–80% of critical speed. The impact force can be only above 1400 N at the grinding media filling of 20%, and the maximum percent of impact force between 200 and 1400 N is obtained at the grinding media filling of 20%. The percent of impact force ranging from 0 to 200 N decreases with the increase of lifter height. However, this perfect will increase above 200 N. The impact force will decrease when the iron ore particles are added. Additionally, for the 80% of critical speed, the measured power draw has a maximum value. Increasing the grinding media filling increases the power draw and increasing the lifter height does not lead to any variation in power draw. PMID:28773243

Impact Load Behavior between Different Charge and Lifter in a Laboratory-Scale Mill.

PubMed

Yin, Zixin; Peng, Yuxing; Zhu, Zhencai; Yu, Zhangfa; Li, Tongqing

2017-07-31

The impact behavior between the charge and lifter has significant effect to address the mill processing, and is affected by various factors including mill speed, mill filling, lifter height and media shape. To investigate the multi-body impact load behavior, a series of experiments and Discrete Element Method (DEM) simulations were performed on a laboratory-scale mill, in order to improve the grinding efficiency and prolong the life of the lifter. DEM simulation hitherto has been extensively applied as a leading tool to describe diverse issues in granular processes. The research results shown as follows: The semi-empirical power draw of Bond model in this paper does not apply very satisfactorily for the ball mills, while the power draw determined by DEM simulation show a good approximation for the measured power draw. Besides, the impact force on the lifter was affected by mill speed, grinding media filling, lifter height and iron ore particle. The maximum percent of the impact force between 600 and 1400 N is at 70-80% of critical speed. The impact force can be only above 1400 N at the grinding media filling of 20%, and the maximum percent of impact force between 200 and 1400 N is obtained at the grinding media filling of 20%. The percent of impact force ranging from 0 to 200 N decreases with the increase of lifter height. However, this perfect will increase above 200 N. The impact force will decrease when the iron ore particles are added. Additionally, for the 80% of critical speed, the measured power draw has a maximum value. Increasing the grinding media filling increases the power draw and increasing the lifter height does not lead to any variation in power draw.

Investigation on the cohesive silt/clay-particle sediment via the coupled CFD-DEM simulations

NASA Astrophysics Data System (ADS)

Xu, S.; Sun, H.; Sun, R.

2017-12-01

Sedimentation of silt/clay particles happens ubiquitously in nature and engineering field. There have been abundant studies focusing on the settling velocity of the cohesive particles, while studies on the sediment deposited from silt/clay irregular particles, including the vertical concentration profile of sediment and the various forces among the deposited particles are still lacking. This paper aims to investigate the above topics by employing the CFD-DEM (Computational Fluid Dynamics-Discrete Element Method) simulations. In this work, we simulate the settling of the mono- and poly- dispersed silt/clay particles and mainly study the characteristics of the deposited cohesive sediment. We use the bonded particles to simulate the irregular silt/clay aggregates at the initial state and utilize the van der Waals force for all micro-particles to consider the cohesive force among silt/clay particles. The interparticle collision force and the fluid-particle interaction forces are also considered in our numerical model. The value of the mean structural density of cohesive sediment obtained from simulations is in good agreement with the previous research, and it is obviously smaller than no-cohesive sediment because of the existence of the silt/clay flocs. Moreover, the solid concentration of sediment increases with the growth of the depth. It is because the silt/clay flocs are more easily to break up due to the gradually increased submerged gravity of the deposited particles along the depth. We also obtain the noncontacted cohesive force and contact force profiles during the sedimentation and the self-weight consolidation process. The study of the concentration profile and the forces among silt/clay sediment will help to give an accurate initial condition for calculating the speed of the reconsolidation process by employing the artificial loads, which is necessary for practical designs of the land reclamation projects.

Shoulder joint abduction motion test bench: a new shoulder test bench for in vitro experiments with active muscle force simulation.

PubMed

Onder, Ursula; Blauth, Michael; Kralinger, Franz; Schmoelz, Werner

2012-05-30

In our society the average age is increasing, as are the number of proximal humeral head fractures. For fixation of these fractures, an increasing number of implants are available. New fixation devices should be compared biomechanically with established methods in a standardized fashion. The test bench that was designed was intended to simulate abduction motion of the humerus actively induced by muscle forces. We used three pneumatic muscles to apply forces to the tendons of the musculus supraspinatus and the bifid musculus deltoideus. Thus, it was possible to create an active abduction in the scapular plane. Two different fracture models (with and without medial support) were stabilised with an angular stable plate in sawbone models to reproduce a known clinical outcome with the newly designed test setup. The resultant force acting on the proximal humerus reached approximately 47% BW (per cent body weight), which amounted to 329.0 N (SD: 21.76). The supraspinatus reached maximum forces of 254.7 N (SD: 20.1) and the deltoid muscle 258.9 N (SD: 16.5). Fracture gap instrumentation with medial support resulted in a significantly reduced per-cycle fracture gap motion. The performance evaluation showed that the simulator produced predicable, reproducible movements with physiological muscle force magnitudes.

Forces Generated by Vastus Lateralis and Vastus Medialis Decrease with Increasing Stair Descent Speed.

PubMed

Caruthers, Elena J; Oxendale, Kassandra K; Lewis, Jacqueline M; Chaudhari, Ajit M W; Schmitt, Laura C; Best, Thomas M; Siston, Robert A

2018-04-01

Stair descent (SD) is a common, difficult task for populations who are elderly or have orthopaedic pathologies. Joint torques of young, healthy populations during SD increase at the hip and ankle with increasing speed but not at the knee, contrasting torque patterns during gait. To better understand the sources of the knee torque pattern, we used dynamic simulations to estimate knee muscle forces and how they modulate center of mass (COM) acceleration across SD speeds (slow, self-selected, and fast) in young, healthy adults. The vastus lateralis and vastus medialis forces decreased from slow to self-selected speeds as the individual lowered to the next step. Since the vasti are primary contributors to vertical support during SD, they produced lower forces at faster speeds due to the lower need for vertical COM support observed at faster speeds. In contrast, the semimembranosus and rectus femoris forces increased across successive speeds, allowing the semimembranosus to increase acceleration downward and forward and the rectus femoris to provide more vertical support and resistance to forward progression as SD speed increased. These results demonstrate the utility of dynamic simulations to extend beyond traditional inverse dynamics analyses to gain further insight into muscle mechanisms during tasks like SD.

How muscle fiber lengths and velocities affect muscle force generation as humans walk and run at different speeds

PubMed Central

Arnold, Edith M.; Hamner, Samuel R.; Seth, Ajay; Millard, Matthew; Delp, Scott L.

2013-01-01

SUMMARY The lengths and velocities of muscle fibers have a dramatic effect on muscle force generation. It is unknown, however, whether the lengths and velocities of lower limb muscle fibers substantially affect the ability of muscles to generate force during walking and running. We examined this issue by developing simulations of muscle–tendon dynamics to calculate the lengths and velocities of muscle fibers from electromyographic recordings of 11 lower limb muscles and kinematic measurements of the hip, knee and ankle made as five subjects walked at speeds of 1.0–1.75 m s−1 and ran at speeds of 2.0–5.0 m s−1. We analyzed the simulated fiber lengths, fiber velocities and forces to evaluate the influence of force–length and force–velocity properties on force generation at different walking and running speeds. The simulations revealed that force generation ability (i.e. the force generated per unit of activation) of eight of the 11 muscles was significantly affected by walking or running speed. Soleus force generation ability decreased with increasing walking speed, but the transition from walking to running increased the force generation ability by reducing fiber velocities. Our results demonstrate the influence of soleus muscle architecture on the walk-to-run transition and the effects of muscle–tendon compliance on the plantarflexors' ability to generate ankle moment and power. The study presents data that permit lower limb muscles to be studied in unprecedented detail by relating muscle fiber dynamics and force generation to the mechanical demands of walking and running. PMID:23470656

The effect of changing wind forcing on Antarctic ice shelf melting in high-resolution, global sea ice-ocean simulations with the Accelerated Climate Model for Energy (ACME)

NASA Astrophysics Data System (ADS)

Asay-Davis, Xylar; Price, Stephen; Petersen, Mark; Wolfe, Jonathan

2017-04-01

The capability for simulating sub-ice shelf circulation and submarine melting and freezing has recently been added to the U.S. Department of Energy's Accelerated Climate Model for Energy (ACME). With this new capability, we use an eddy permitting ocean model to conduct two sets of simulations in the spirit of Spence et al. (GRL, 41, 2014), who demonstrate increased warm water upwelling along the Antarctic coast in response to poleward shifting and strengthening of Southern Ocean westerly winds. These characteristics, symptomatic of a positive Southern Annular Mode (SAM), are projected to continue into the 21st century under anthropogenic climate change (Fyfe et al., J. Clim., 20, 2007). In our first simulation, we force the climate model using the standard CORE interannual forcing dataset (Large and Yeager; Clim. Dyn., 33, 2009). In our second simulation, we force our climate model using an altered version of CORE interannual forcing, based on the latter half of the full time series, which we take as a proxy for a future climate state biased towards a positive SAM. We compare ocean model states and sub-ice shelf melt rates with observations, exploring sources of model biases as well as the effects of the two forcing scenarios.

Understanding observed and simulated historical temperature trends in California

NASA Astrophysics Data System (ADS)

Bonfils, C. J.; Duffy, P. B.; Santer, B. D.; Lobell, D. B.; Wigley, T. M.

2006-12-01

In our study, we attempt 1) to improve our understanding of observed historical temperature trends and their underlying causes in the context of regional detection of climate change and 2) to identify possible neglected forcings and errors in the model response to imposed forcings at the origin of inconsistencies between models and observations. From eight different observational datasets, we estimate California-average temperature trends over 1950- 1999 and compare them to trends from a suite of IPCC control simulations of natural internal climate variability. We find that the substantial night-time warming occurring from January to September is inconsistent with model-based estimates of natural internal climate variability, and thus requires one or more external forcing agents to be explained. In contrast, we find that a significant day-time warming occurs only from January to March. Our confidence in these findings is increased because there is no evidence that the models systematically underestimate noise on interannual and decadal timescales. However, we also find that IPCC simulations of the 20th century that include combined anthropogenic and natural forcings are not able to reproduce such a pronounced seasonality of the trends. Our first hypothesis is that the warming of Californian winters over the second half of the twentieth century is associated with changes in large-scale atmospheric circulation that are likely to be human-induced. This circulation change is underestimated in the historical simulations, which may explain why the simulated warming of Californian winters is too weak. We also hypothesize that the lack of a detectable observed increase in summertime maximum temperature arises from a cooling associated with large-scale irrigation. This cooling may have, until now, counteracted the warming induced by increasing greenhouse gases and urbanization effects. Omitting to include this forcing in the simulations can result in overestimating the summertime maximum temperature trends. We conduct an empirical study based on observed climate and irrigation changes to evaluate this assumption.

Evidence for Limited Indirect Aerosol Forcing in Stratocumulus

NASA Technical Reports Server (NTRS)

Ackerman, Andrew S.; Toon, O. B.; Stevens, D. E.

2003-01-01

Increases in cloud cover and condensed water contribute more than half of the indirect aerosol effect in an ensemble of general circulation model (GCM) simulations estimating the global radiative forcing of anthropogenic aerosols. We use detailed simulations of marine stratocumulus clouds and airborne observations of ship tracks to show that increases in cloud cover and condensed water in reality are far less than represented by the GCM ensemble. Our results offer an explanation for recent simplified inverse climate calculations indicating that indirect aerosol effects are greatly exaggerated in GCMs.

Recent intensification of the Walker Circulation and the role of natural sea surface temperature variability

NASA Astrophysics Data System (ADS)

Zhao, X.; Allen, R.

2017-12-01

In a warming world, the tropical atmospheric overturning circulation-including the Walker Circulation-is expected to weaken due to thermodynamic constraints. Tropical precipitation increases at a slower rate than water vapor-which increases according to Clausius Clapeyron scaling, assuming constant relative humidity-so the tropical overturning circulation slows down. This is supported by both observations and model simulations, which show a slowdown of the Walker Circulation over the 20th century. Model projections suggest a further weakening of the Walker Circulation in the 21st century. However, over the last several decades (1979-2014), multiple observations reveal a robust strengthening of the Walker Circulation. Although coupled CMIP5 simulations are unable to reproduce this strengthening, AMIP simulations-which feature the observed evolution of SSTs-are generally able to reproduce it. Assuming the ensemble mean sea surface temperatures (SSTs) from historical CMIP5 simulations accurately represent the externally forced SST response, the observed SSTs can be decomposed into a forced and an unforced component. CAM5 AMIP-type simulations driven by the unforced component of observed SSTs reproduce the observed strengthening of the Walker Circulation. Corresponding simulations driven by the forced component of observed SSTs yield a weaker Walker Circulation. These results are consistent with the zonal tropical SST gradient and the Bjerknes feedback. The unforced component of SSTs yield an increased SST gradient over tropical Pacific (a La Nina like pattern) and strengthening of the tropical trade winds, which constitute the lower branch of the Walker Circulation. The forced component of SSTs yields a zonally uniform tropical Pacific SST warming and a marginal weakening of the Walker Circulation. Our results suggest significant modulation of the tropical Walker Circulation by natural SST variability over the last several decades.

Force distribution in a semiflexible loop.

PubMed

Waters, James T; Kim, Harold D

2016-04-01

Loops undergoing thermal fluctuations are prevalent in nature. Ringlike or cross-linked polymers, cyclic macromolecules, and protein-mediated DNA loops all belong to this category. Stability of these molecules are generally described in terms of free energy, an average quantity, but it may also be impacted by local fluctuating forces acting within these systems. The full distribution of these forces can thus give us insights into mechanochemistry beyond the predictive capability of thermodynamics. In this paper, we study the force exerted by an inextensible semiflexible polymer constrained in a looped state. By using a simulation method termed "phase-space sampling," we generate the equilibrium distribution of chain conformations in both position and momentum space. We compute the constraint forces between the two ends of the loop in this chain ensemble using Lagrangian mechanics, and show that the mean of these forces is equal to the thermodynamic force. By analyzing kinetic and potential contributions to the forces, we find that the mean force acts in the direction of increasing extension not because of bending stress, but in spite of it. Furthermore, we obtain a distribution of constraint forces as a function of chain length, extension, and stiffness. Notably, increasing contour length decreases the average force, but the additional freedom allows fluctuations in the constraint force to increase. The force distribution is asymmetric and falls off less sharply than a Gaussian distribution. Our work exemplifies a system where large-amplitude fluctuations occur in a way unforeseen by a purely thermodynamic framework, and offers computational tools useful for efficient, unbiased simulation of a constrained system.

Force distribution in a semiflexible loop

PubMed Central

Waters, James T.; Kim, Harold D.

2017-01-01

Loops undergoing thermal fluctuations are prevalent in nature. Ringlike or cross-linked polymers, cyclic macromolecules, and protein-mediated DNA loops all belong to this category. Stability of these molecules are generally described in terms of free energy, an average quantity, but it may also be impacted by local fluctuating forces acting within these systems. The full distribution of these forces can thus give us insights into mechanochemistry beyond the predictive capability of thermodynamics. In this paper, we study the force exerted by an inextensible semiflexible polymer constrained in a looped state. By using a simulation method termed “phase-space sampling,” we generate the equilibrium distribution of chain conformations in both position and momentum space. We compute the constraint forces between the two ends of the loop in this chain ensemble using Lagrangian mechanics, and show that the mean of these forces is equal to the thermodynamic force. By analyzing kinetic and potential contributions to the forces, we find that the mean force acts in the direction of increasing extension not because of bending stress, but in spite of it. Furthermore, we obtain a distribution of constraint forces as a function of chain length, extension, and stiffness. Notably, increasing contour length decreases the average force, but the additional freedom allows fluctuations in the constraint force to increase. The force distribution is asymmetric and falls off less sharply than a Gaussian distribution. Our work exemplifies a system where large-amplitude fluctuations occur in a way unforeseen by a purely thermodynamic framework, and offers computational tools useful for efficient, unbiased simulation of a constrained system. PMID:27176436

ON THE IMPACT OF THREE DIMENSIONS IN SIMULATIONS OF NEUTRINO-DRIVEN CORE-COLLAPSE SUPERNOVA EXPLOSIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Couch, Sean M., E-mail: smc@flash.uchicago.edu

2013-09-20

We present one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) hydrodynamical simulations of core-collapse supernovae including a parameterized neutrino heating and cooling scheme in order to investigate the critical core neutrino luminosity (L{sub crit}) required for explosion. In contrast to some previous works, we find that 3D simulations explode later than 2D simulations, and that L{sub crit} at fixed mass accretion rate is somewhat higher in three dimensions than in two dimensions. We find, however, that in two dimensions L{sub crit} increases as the numerical resolution of the simulation increases. In contrast to some previous works, we argue that the averagemore » entropy of the gain region is in fact not a good indicator of explosion but is rather a reflection of the greater mass in the gain region in two dimensions. We compare our simulations to semi-analytic explosion criteria and examine the nature of the convective motions in two dimensions and three dimensions. We discuss the balance between neutrino-driven buoyancy and drag forces. In particular, we show that the drag force will be proportional to a buoyant plume's surface area while the buoyant force is proportional to a plume's volume and, therefore, plumes with greater volume-to-surface-area ratios will rise more quickly. We show that buoyant plumes in two dimensions are inherently larger, with greater volume-to-surface-area ratios, than plumes in three dimensions. In the scenario that the supernova shock expansion is dominated by neutrino-driven buoyancy, this balance between buoyancy and drag forces may explain why 3D simulations explode later than 2D simulations and why L{sub crit} increases with resolution. Finally, we provide a comparison of our results with other calculations in the literature.« less

Detecting the gravitational sensitivity of Paramecium caudatum using magnetic forces

NASA Astrophysics Data System (ADS)

Guevorkian, Karine; Valles, James M., Jr.

2006-03-01

Under normal conditions, Paramecium cells regulate their swimming speed in response to the pN level mechanical force of gravity. This regulation, known as gravikinesis, is more pronounced when the external force is increased by methods such as centrifugation. Here we present a novel technique that simulates gravity fields using the interactions between strong inhomogeneous magnetic fields and cells. We are able to achieve variable gravities spanning from 10xg to -8xg; where g is earth's gravity. Our experiments show that the swimming speed regulation of Paramecium caudatum to magnetically simulated gravity is a true physiological response. In addition, they reveal a maximum propulsion force for paramecia. This advance establishes a general technique for applying continuously variable forces to cells or cell populations suitable for exploring their force transduction mechanisms.

GCM simulations of volcanic aerosol forcing. I - Climate changes induced by steady-state perturbations

NASA Technical Reports Server (NTRS)

Pollack, James B.; Rind, David; Lacis, Andrew; Hansen, James E.; Sato, Makiko; Ruedy, Reto

1993-01-01

The response of the climate system to a temporally and spatially constant amount of volcanic particles is simulated using a general circulation model (GCM). The optical depth of the aerosols is chosen so as to produce approximately the same amount of forcing as results from doubling the present CO2 content of the atmosphere and from the boundary conditions associated with the peak of the last ice age. The climate changes produced by long-term volcanic aerosol forcing are obtained by differencing this simulation and one made for the present climate with no volcanic aerosol forcing. The simulations indicate that a significant cooling of the troposphere and surface can occur at times of closely spaced multiple sulfur-rich volcanic explosions that span time scales of decades to centuries. The steady-state climate response to volcanic forcing includes a large expansion of sea ice, especially in the Southern Hemisphere; a resultant large increase in surface and planetary albedo at high latitudes; and sizable changes in the annually and zonally averaged air temperature.

The Role of Environmental Driving Factors in Historical and Projected Carbon Dynamics of Wetland Ecosystems in Alaska.

PubMed

Lyu, Zhou; Genet, Hélène; He, Yujie; Zhuang, Qianlai; McGuire, A David; Bennett, Alec; Breen, Amy; Clein, Joy; Euskirchen, Eugénie S; Johnson, Kristofer; Kurkowski, Tom; Pastick, Neal J; Rupp, T Scott; Wylie, Bruce K; Zhu, Zhiliang

2018-05-29

Wetlands are critical terrestrial ecosystems in Alaska, covering ~177,000 km 2 , an area greater than all the wetlands in the remainder of the United States. To assess the relative influence of changing climate, atmospheric carbon dioxide (CO 2 ) concentration, and fire regime on carbon balance in wetland ecosystems of Alaska, a modeling framework that incorporates a fire disturbance model and two biogeochemical models was used. Spatially explicit simulations were conducted at 1 km-resolution for the historical period (1950-2009) and future projection period (2010-2099). Simulations estimated that wetland ecosystems of Alaska lost 175 Tg carbon (C) in the historical period. Ecosystem C storage in 2009 was 5556 Tg, with 89% of the C stored in soils. The estimated loss of C as CO 2 and biogenic methane (CH 4 ) emissions resulted in wetlands of Alaska increasing the greenhouse gas forcing of climate warming. Simulations for the projection period were conducted for six climate change scenarios constructed from two climate models forced under three CO 2 emission scenarios. Ecosystem C storage averaged among climate scenarios increased 3.94 TgC/yr by 2099, with variability among the simulations ranging from 2.02 to 4.42 TgC/yr. These increases were driven primarily by increases in net primary production (NPP) that were greater than losses from increased decomposition and fire. The NPP increase was driven by CO 2 fertilization (~5% per 100 ppmv increase) and by increases in air temperature (~1% per °C increase). Increases in air temperature were estimated to be the primary cause for a projected 47.7% mean increase in biogenic CH 4 emissions among the simulations (~15% per °C increase). Ecosystem CO 2 sequestration offset the increase in CH 4 emissions during the 21 st century to decrease the greenhouse gas forcing of climate warming. However, beyond 2100, we expect that this forcing will ultimately increase as wetland ecosystems transition from being a sink to a source of atmospheric CO 2 because of (1) decreasing sensitivity of NPP to increasing atmospheric CO 2 , (2) increasing availability of soil C for decomposition as permafrost thaws, and (3) continued positive sensitivity of biogenic CH 4 emissions to increases in soil temperature. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields

NASA Astrophysics Data System (ADS)

Mainberger, Sebastian; Kindlein, Moritz; Bezold, Franziska; Elts, Ekaterina; Minceva, Mirjana; Briesen, Heiko

2017-06-01

Deep eutectic solvents (DES) have gained a reputation as inexpensive and easy to handle ionic liquid analogues. This work employs molecular dynamics (MD) to simulate a variety of DES. The hydrogen bond acceptor (HBA) choline chloride was paired with the hydrogen bond donors (HBD) glycerol, 1,4-butanediol, and levulinic acid. Levulinic acid was also paired with the zwitterionic HBA betaine. In order to evaluate the reliability of data MD simulations can provide for DES, two force fields were compared: the Merck Molecular Force Field and the General Amber Force Field with two different sets of partial charges for the latter. The force fields were evaluated by comparing available experimental thermodynamic and transport properties against simulated values. Structural analysis was performed on the eutectic systems and compared to non-eutectic compositions. All force fields could be validated against certain experimental properties, but performance varied depending on the system and property in question. While extensive hydrogen bonding was found for all systems, details about the contribution of individual groups strongly varied among force fields. Interaction potentials revealed that HBA-HBA interactions weaken linearly with increasing HBD ratio, while HBD-HBD interactions grew disproportionally in magnitude, which might hint at the eutectic composition of a system.

Use of patient specific 3D printed (3DP) neurovascular phantoms for mechanical assessment of devices used in image guided minimally invasive procedures

NASA Astrophysics Data System (ADS)

Tabaczynski, Janelle R.; Stoll, Thomas; Shepard, Lauren; Siddiqui, Mohamed I. G.; Karkhanis, Nitant V.; Sommer, Kelsey; Siddiqui, Adnan H.; Ionita, Ciprian N.

2018-03-01

Patient-specific 3D printed phantoms (3DP) can reproduce accurate patient geometry and provide precise tools for Endovascular Image Guided Interventions (EIGI) simulations. We propose to build and test 3DP phantoms which mimic the arterial wall elasticity and surface properties and demonstrate their utility in comprehensive EIGI simulations. 3DP idealized and patient specific vascular phantoms were manufactured using Stratasys Objet 500 Connex 3. The idealized phantoms were created using a sine wave shape, patient specific phantoms were based on CT- angiography volumes. The phantoms were coated with a hydrophilic material to mimic vascular surface properties. We tested various endovascular procedures using an Interventional Device Testing Equipment (IDTE) 2000 and measured push/pull force used to actuate endovascular devices during EIGIs. The force needed to advance devices in neurovascular phantoms varied based on tortuosity, material and coating, ranging from -3 to 21 grams-force. Hydrophilic coating reduced maximum force from 21 to 4.8 grams-force in the same model. IDTE 2000 results of neurovascular models were compared to hand manipulation of guidewire access using a six-axis force sensor with forces ranging from -50 to 440 grams. The clot retriever tested in carotid models experienced most friction around tortuous bends ranging from -65 to -90 grams-force, with increasing rigidity of materials creating increased friction. Sine wave model forces varied from -2 to 105 grams. 3DP allows manufacturing of vascular phantoms with precise mechanical and surface properties which can be used for EIGI simulations for imaging protocol optimization and device behavior assessment.

Position of the quadriceps actuator influences knee loads during simulated squat testing.

PubMed

Hast, Michael W; Piazza, Stephen J

2018-05-17

The "Oxford Rig" cadaveric simulator permits researchers and clinicians to study knee mechanics during a simulated squatting motion. The motion of the lower limb in the Oxford Rig is typically controlled by a single actuator that applies tension to the quadriceps tendon. The location of the quadriceps actuator, however, has differed across published descriptions of the Oxford Rig. Actuators have been placed on the femur and pelvis, and on "grounded" locations external to the specimen, but the consequences of this placement for knee kinematics and kinetics are unknown. The purpose of this study was to examine these effects using a validated computational musculoskeletal model. When the actuator was placed on the femur or pelvis, forces realistically increased with knee flexion, with quadriceps and patellofemoral contact forces exceeding 2000 N and 3000 N, respectively, at 100° flexion. When the actuator was grounded, however, forces were substantially reduced and did not monotonically increase with flexion. Articular joint contact forces were not strongly influenced by changing the location of the actuator from the femur to the pelvis, with small RMS differences in quadriceps forces (48.2 N), patellofemoral forces (83.6 N), and tibiofemoral forces (58.9 N) between these conditions. The location of the actuator did not substantially affect knee kinematics. The results of this study suggest that the quadriceps actuator of the Oxford Rig should be attached to either the femur or the pelvis when the goal is to make realistic estimates of quadriceps forces and articular contact forces within the knee joint. Copyright © 2018 Elsevier Ltd. All rights reserved.

GRIFFIN: A versatile methodology for optimization of protein-lipid interfaces for membrane protein simulations

PubMed Central

Staritzbichler, René; Anselmi, Claudio; Forrest, Lucy R.; Faraldo-Gómez, José D.

2014-01-01

As new atomic structures of membrane proteins are resolved, they reveal increasingly complex transmembrane topologies, and highly irregular surfaces with crevices and pores. In many cases, specific interactions formed with the lipid membrane are functionally crucial, as is the overall lipid composition. Compounded with increasing protein size, these characteristics pose a challenge for the construction of simulation models of membrane proteins in lipid environments; clearly, that these models are sufficiently realistic bears upon the reliability of simulation-based studies of these systems. Here, we introduce GRIFFIN, which uses a versatile framework to automate and improve a widely-used membrane-embedding protocol. Initially, GRIFFIN carves out lipid and water molecules from a volume equivalent to that of the protein, so as to conserve the system density. In the subsequent optimization phase GRIFFIN adds an implicit grid-based protein force-field to a molecular dynamics simulation of the pre-carved membrane. In this force-field, atoms inside the implicit protein volume experience an outward force that will expel them from that volume, whereas those outside are subject to electrostatic and van-der-Waals interactions with the implicit protein. At each step of the simulation, these forces are updated by GRIFFIN and combined with the intermolecular forces of the explicit lipid-water system. This procedure enables the construction of realistic and reproducible starting configurations of the protein-membrane interface within a reasonable timeframe and with minimal intervention. GRIFFIN is a standalone tool designed to work alongside any existing molecular dynamics package, such as NAMD or GROMACS. PMID:24707227

Stability of simulated flight path control at +3 Gz in a human centrifuge.

PubMed

Guardiera, Simon; Dalecki, Marc; Bock, Otmar

2010-04-01

Earlier studies have shown that naïve subjects and experienced jet pilots produce exaggerated manual forces when exposed to increased acceleration (+Gz). This study was designed to evaluate whether this exaggeration affects the stability of simulated flight path control. We evaluated naïve subjects' performance in a flight simulator which either remained stationary (+1 Gz), or rotated to induce an acceleration in accordance to the simulated flight path with a mean acceleration of about +3 Gz. In either case, subjects were requested to produce a series of altitude changes in pursuit of a visual target airplane. Resulting flight paths were analyzed to determine the largest oscillation after an altitude change (Oscillation) and the mean deviation between subject and target flight path (Tracking Error). Flight stability after an altitude change was degraded in +3 Gz compared to +1 Gz, as evidenced by larger Oscillations (+11%) and increased Tracking Errors (+80%). These deficits correlated significantly with subjects' +3 Gz deficits in a manual-force production task. We conclude that force exaggeration in +3 Gz may impair flight stability during simulated jet maneuvers in naïve subjects, most likely as a consequence of vestibular stimulation.

Instrumentation Strategies to Reduce the Risks of Proximal Junctional Kyphosis in Adult Scoliosis: A Detailed Biomechanical Analysis.

PubMed

Aubin, Carl-Eric; Cammarata, Marco; Wang, Xiaoyu; Mac-Thiong, Jean-Marc

2015-05-01

Biomechanical analysis of proximal junctional kyphosis (PJK) through numerical simulations. Assessment of the effect of sagittal alignment, the upper instrumented vertebral level (UIV), and 4 other surgical variables on biomechanical indices related to the PJK risks. Despite retrospective clinical studies, biomechanical analysis of individual parameters associated with PJK is lacking to support instrumentation strategies to reduce the PJK risks. Instrumentations of 6 adult scoliosis cases with different operative strategies were simulated (1,152 simulations). Proximal junctional (PJ) angle and flexion loads were evaluated against the sagittal alignment and the proximal instrumentation level. Instrumenting 1 more proximal vertebra allowed the PJ angle, proximal moment, and force to be reduced by 18%, 25%, and 16%, respectively. Shifting sagittal alignment by 20 mm posteriorly increased the PJ angle and proximal moment by 16% and 22%, and increased the equivalent posterior extensor force by 37%. Bilateral complete facetectomy, posterior ligaments resection, and the combination of the 2 resulted in an increase of the PJ angle (by 10%, 28%, and 53%, respectively), flexion forces (by 4%, 12%, and 22%, respectively), and proximal moments (by 16%, 44%, and 83%, respectively). Transverse process hooks at UIV compared with pedicle screws allowed 26% lower PJ angle and flexion loads. The use of proximal transition rods with proximal diameter reduced from 5.5 to 4 mm slightly reduced PJ angle, flexion force, and moment (less than 8%). The increase in sagittal rod curvature from 10° to 40° increased the PJ angle (from 6% to 19%), flexion force (from 3% to 10%), and moment (from 9% to 27%). Simulated posteriorly shifted sagittal alignment was associated with higher PJK risks, whereas extending instrumentation proximally allowed a lower mechanical risk of PJK. Preserving PJ intervertebral elements and using a more flexible anchorage at UIV help reduce the biomechanical risks of PJK. Copyright © 2015 Scoliosis Research Society. Published by Elsevier Inc. All rights reserved.

Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure

NASA Astrophysics Data System (ADS)

Wang, Wei; Bajic, Steve; John, Benzi; Emerson, David R.

2018-03-01

Understanding ion transport properties from the ion source to the mass spectrometer (MS) is essential for optimizing device performance. Numerical simulation helps in understanding of ion transport properties and, furthermore, facilitates instrument design. In contrast to previously reported numerical studies, ion transport simulations in a continuous injection mode whilst considering realistic space-charge effects have been carried out. The flow field was solved using Reynolds-averaged Navier-Stokes (RANS) equations, and a particle-in-cell (PIC) method was applied to solve a time-dependent electric field with local charge density. A series of ion transport simulations were carried out at different cone gas flow rates, ion source currents, and capillary voltages. A force evaluation analysis reveals that the electric force, the drag force, and the Brownian force are the three dominant forces acting on the ions. Both the experimental and simulation results indicate that cone gas flow rates of ≤250 slph (standard liter per hour) are important for high ion transmission efficiency, as higher cone gas flow rates reduce the ion signal significantly. The simulation results also show that the ion transmission efficiency reduces exponentially with an increased ion source current. Additionally, the ion loss due to space-charge effects has been found to be predominant at a higher ion source current, a lower capillary voltage, and a stronger cone gas counterflow. The interaction of the ion driving force, ion opposing force, and ion dispersion is discussed to illustrate ion transport mechanism in the ion source at atmospheric pressure. [Figure not available: see fulltext.

Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure.

PubMed

Wang, Wei; Bajic, Steve; John, Benzi; Emerson, David R

2018-03-01

Understanding ion transport properties from the ion source to the mass spectrometer (MS) is essential for optimizing device performance. Numerical simulation helps in understanding of ion transport properties and, furthermore, facilitates instrument design. In contrast to previously reported numerical studies, ion transport simulations in a continuous injection mode whilst considering realistic space-charge effects have been carried out. The flow field was solved using Reynolds-averaged Navier-Stokes (RANS) equations, and a particle-in-cell (PIC) method was applied to solve a time-dependent electric field with local charge density. A series of ion transport simulations were carried out at different cone gas flow rates, ion source currents, and capillary voltages. A force evaluation analysis reveals that the electric force, the drag force, and the Brownian force are the three dominant forces acting on the ions. Both the experimental and simulation results indicate that cone gas flow rates of ≤250 slph (standard liter per hour) are important for high ion transmission efficiency, as higher cone gas flow rates reduce the ion signal significantly. The simulation results also show that the ion transmission efficiency reduces exponentially with an increased ion source current. Additionally, the ion loss due to space-charge effects has been found to be predominant at a higher ion source current, a lower capillary voltage, and a stronger cone gas counterflow. The interaction of the ion driving force, ion opposing force, and ion dispersion is discussed to illustrate ion transport mechanism in the ion source at atmospheric pressure. Graphical Abstract.

Impact of Separation Distance on Multi-Vane Radiometer Configurations

NASA Astrophysics Data System (ADS)

Cornella, B. M.; Ketsdever, A. D.; Gimelshein, N. E.; Gimelshein, S. F.

2011-05-01

The radiometric force produced by a linear array of three radiometer vanes has been assessed numerically using an argon carrier gas and experimentally using air. The separation distance between the three vanes of the array was varied between 0 and 120 percent based on the height of an individual radiometer vane of 40 mm. Qualitative agreement between the numerical and experimental results is shown as a function of operating Knudsen number, vane separation distance, and surrounding chamber geometry. Both sets of results indicate an asymptotic trend in maximum force as the separation distance increases as well as a shift in the maximum force Knudsen number. Small chamber effects for both numerical and experimental results indicate an increase of the total force ranging from a factor of 2.5 to 4. Quantitatively, however, the numerical simulations yield forces approximately an order of magnitude higher than observed in the experiments due to differences in carrier gas and accommodation coefficient as well as the two dimensional nature of the numerical simulations versus the three dimensional experiment.

Can feedback analysis be used to uncover the physical origin of climate sensitivity and efficacy differences?

NASA Astrophysics Data System (ADS)

Rieger, Vanessa S.; Dietmüller, Simone; Ponater, Michael

2017-10-01

Different strengths and types of radiative forcings cause variations in the climate sensitivities and efficacies. To relate these changes to their physical origin, this study tests whether a feedback analysis is a suitable approach. For this end, we apply the partial radiative perturbation method. Combining the forward and backward calculation turns out to be indispensable to ensure the additivity of feedbacks and to yield a closed forcing-feedback-balance at top of the atmosphere. For a set of CO2-forced simulations, the climate sensitivity changes with increasing forcing. The albedo, cloud and combined water vapour and lapse rate feedback are found to be responsible for the variations in the climate sensitivity. An O3-forced simulation (induced by enhanced NOx and CO surface emissions) causes a smaller efficacy than a CO2-forced simulation with a similar magnitude of forcing. We find that the Planck, albedo and most likely the cloud feedback are responsible for this effect. Reducing the radiative forcing impedes the statistical separability of feedbacks. We additionally discuss formal inconsistencies between the common ways of comparing climate sensitivities and feedbacks. Moreover, methodical recommendations for future work are given.

Electromechanical Characterization of Single GaN Nanobelt Probed with Conductive Atomic Force Microscope

NASA Astrophysics Data System (ADS)

Yan, X. Y.; Peng, J. F.; Yan, S. A.; Zheng, X. J.

2018-04-01

The electromechanical characterization of the field effect transistor based on a single GaN nanobelt was performed under different loading forces by using a conductive atomic force microscope (C-AFM), and the effective Schottky barrier height (SBH) and ideality factor are simulated by the thermionic emission model. From 2-D current image, the high value of the current always appears on the nanobelt edge with the increase of the loading force less than 15 nN. The localized (I-V) characteristic reveals a typical rectifying property, and the current significantly increases with the loading force at the range of 10-190 nN. The ideality factor is simulated as 9.8 within the scope of GaN nano-Schottky diode unity (6.5-18), therefore the thermionic emission current is dominant in the electrical transport of the GaN-tip Schottky junction. The SBH is changed through the piezoelectric effect induced by the loading force, and it is attributed to the enhanced current. Furthermore, a single GaN nanobelt has a high mechanical-induced current ratio that could be made use of in a nanoelectromechanical switch.

Electromechanical Characterization of Single GaN Nanobelt Probed with Conductive Atomic Force Microscope

NASA Astrophysics Data System (ADS)

Yan, X. Y.; Peng, J. F.; Yan, S. A.; Zheng, X. J.

2018-07-01

The electromechanical characterization of the field effect transistor based on a single GaN nanobelt was performed under different loading forces by using a conductive atomic force microscope (C-AFM), and the effective Schottky barrier height (SBH) and ideality factor are simulated by the thermionic emission model. From 2-D current image, the high value of the current always appears on the nanobelt edge with the increase of the loading force less than 15 nN. The localized ( I- V) characteristic reveals a typical rectifying property, and the current significantly increases with the loading force at the range of 10-190 nN. The ideality factor is simulated as 9.8 within the scope of GaN nano-Schottky diode unity (6.5-18), therefore the thermionic emission current is dominant in the electrical transport of the GaN-tip Schottky junction. The SBH is changed through the piezoelectric effect induced by the loading force, and it is attributed to the enhanced current. Furthermore, a single GaN nanobelt has a high mechanical-induced current ratio that could be made use of in a nanoelectromechanical switch.

Contact stiffness considerations when simulating tyre/road noise

NASA Astrophysics Data System (ADS)

Winroth, Julia; Kropp, Wolfgang; Hoever, Carsten; Höstmad, Patrik

2017-11-01

Tyre/road simulation tools that can capture tyre vibrations, rolling resistance and noise generation are useful for understanding the complex processes that are involved and thereby promoting further development and optimisation. The most detailed tyre/road contact models use a spatial discretisation of the contact and assume an interfacial stiffness to account for the small-scale roughness within the elements. This interfacial stiffness has been found to have a significant impact on the simulated noise emissions but no thorough investigations of this sensitivity have been conducted. Three mechanisms are thought to be involved: The horn effect, the modal composition of the vibrational field of the tyre and the contact forces exciting the tyre vibrations. This study used a numerical tyre/road noise simulation tool based on physical relations to investigate these aspects. The model includes a detailed time-domain contact model with linear or non-linear contact springs that accounts for the effect of local tread deformation on smaller length scales. Results confirm that an increase in contact spring stiffness causes a significant increase of the simulated tyre/road noise. This is primarily caused by a corresponding increase in the contact forces, resulting in larger vibrational amplitudes. The horn effect and the modal composition are relatively unaffected and have minor effects on the radiated noise. A more detailed non-linear contact spring formulation with lower stiffness at small indentations results in a reduced high-frequency content in the contact forces and the simulated noise.

Stereoscopic, Force-Feedback Trainer For Telerobot Operators

NASA Technical Reports Server (NTRS)

Kim, Won S.; Schenker, Paul S.; Bejczy, Antal K.

1994-01-01

Computer-controlled simulator for training technicians to operate remote robots provides both visual and kinesthetic virtual reality. Used during initial stage of training; saves time and expense, increases operational safety, and prevents damage to robots by inexperienced operators. Computes virtual contact forces and torques of compliant robot in real time, providing operator with feel of forces experienced by manipulator as well as view in any of three modes: single view, two split views, or stereoscopic view. From keyboard, user specifies force-reflection gain and stiffness of manipulator hand for three translational and three rotational axes. System offers two simulated telerobotic tasks: insertion of peg in hole in three dimensions, and removal and insertion of drawer.

Perpendicular diffusion of a dilute beam of charged dust particles in a strongly coupled dusty plasma

NASA Astrophysics Data System (ADS)

Liu, Bin; Goree, J.

2014-06-01

The diffusion of projectiles drifting through a target of strongly coupled dusty plasma is investigated in a simulation. A projectile's drift is driven by a constant force F. We characterize the random walk of the projectiles in the direction perpendicular to their drift. The perpendicular diffusion coefficient Dp⊥ is obtained from the simulation data. The force dependence of Dp⊥ is found to be a power law in a high force regime, but a constant at low forces. A mean kinetic energy Wp for perpendicular motion is also obtained. The diffusion coefficient is found to increase with Wp with a linear trend at higher energies, but an exponential trend at lower energies.

Combining model and satellite data to investigate the effect of light absorbing impurities on snow melt and discharge generation

NASA Astrophysics Data System (ADS)

Matt, F.; Burkhart, J. F.

2017-12-01

Light absorbing impurities in snow and ice (LAISI) originating from atmospheric deposition enhance snow melt by increasing the absorption of solar radiation. The consequences are a shortening of the snow cover duration due to increased snow melt and, with respect to hydrologic processes, a temporal shift in the discharge generation. However, the effects as simulated in numerical models have large uncertainties. These uncertainties originate mainly from uncertainties in the wet and dry deposition of light absorbing aerosols, limitations in the model representation of the snowpack, and the lack of observable variables required to estimate model parameters. This leads to high uncertainties in the additional energy absorbed by the snow due to the presence of LAISI (the so called radiative forcing of LAISI), a key variable in understanding snowpack energy-balance dynamics. In this study, we present an approach combining distributed model simulations on the catchment scale and remotely sensed radiative forcing from LAISI in order to evaluate and improve model predictions. In a case study, we assess the effect of LAISI on snow melt and discharge generation in a high mountain catchment located in the western Himalaya using the distributed hydrologic model, Shyft. The snow albedo is hereby calculated from a radiative transfer model for snow, taking the increased absorption of solar radiation by LAISI into account. LAISI mixing ratios in snow are determined from atmospheric aerosol deposition rates. To asses the quality of our simulations, we model the instantaneous clear sky radiative forcing at MODIS overpass times, and compare it to the MODIS Dust Radiative Forcing in Snow (MODDRFS) satellite product. By scaling the deposition input to the model, we can optimize the simulated radiative forcing towards the satellite observations.

3-D Particle Simulation of Strongly-Coupled Chains of Charged Polymers

NASA Astrophysics Data System (ADS)

Tanaka, Toyoichi; Tanaka, Motohiko; Pande, V.; Grosberg, A.

1996-11-01

The behaviors of the polyampholyte (PA) which is a connected chain of charged beads (molecules) submerged in the neutral solvent is studied using the 3-D particle simulation code. The major issue is how an equilibrium and kinetics of the PA depend on the thermal and electrostatic forces, i.e., the coupling constant Γ= e^2/aT . We follow a dynamical evolution of the PA, considering the electrostatic force, (2) the binding force between the adjacent beads, (3) the random thermal force exerted by the solvent, and (4) the frictional force: m fracdv_idt = sumj fracZ_iZj e^2 |ri -r_j|^2 hatr_ij - frac3Ta^2(2 ri -r_i+1 -r_i-1) + F^(th) - m ν v_i. Preliminary runs show that, when the excess charge δ N on the chain is larger than N^1/2 ( N : the number of the beads), the size of the polyampholyte increases as in the Monte Carlo simulation using the energy principle [Kantor, Kardar and Li, Phys.Rev.E, 49, 1383 (1994)]. The measured time rate of the size increase for the fixed value of Γ is scaled as, d/dt ~ δ N - N^1/2 for δ N > N^1/2 , and d/dt ~ 0 otherwise.

Relationship between jump landing kinematics and peak ACL force during a jump in downhill skiing: a simulation study.

PubMed

Heinrich, D; van den Bogert, A J; Nachbauer, W

2014-06-01

Recent data highlight that competitive skiers face a high risk of injuries especially during off-balance jump landing maneuvers in downhill skiing. The purpose of the present study was to develop a musculo-skeletal modeling and simulation approach to investigate the cause-and-effect relationship between a perturbed landing position, i.e., joint angles and trunk orientation, and the peak force in the anterior cruciate ligament (ACL) during jump landing. A two-dimensional musculo-skeletal model was developed and a baseline simulation was obtained reproducing measurement data of a reference landing movement. Based on the baseline simulation, a series of perturbed landing simulations (n = 1000) was generated. Multiple linear regression was performed to determine a relationship between peak ACL force and the perturbed landing posture. Increased backward lean, hip flexion, knee extension, and ankle dorsiflexion as well as an asymmetric position were related to higher peak ACL forces during jump landing. The orientation of the trunk of the skier was identified as the most important predictor accounting for 60% of the variance of the peak ACL force in the simulations. Teaching of tactical decisions and the inclusion of exercise regimens in ACL injury prevention programs to improve trunk control during landing motions in downhill skiing was concluded. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Black carbon radiative forcing at TOA decreased during aging.

PubMed

Wu, Yu; Cheng, Tianhai; Zheng, Lijuan; Chen, Hao

2016-12-05

During aging processing, black carbon (also called soot) particles may tend to be mixed with other aerosols, and highly influence their radiative forcing. In this study, freshly emitted soot particles were simulated as fractal aggregates composed of small spherical primary monomers. After aging in the atmosphere, soot monomers were coated by a thinly layer of sulfate as thinly coated soot particles. These soot particles were entirely embedded into large sulfate particle by further aging, and becoming heavily coated soot particles. In clear-sky conditions, black carbon radiative forcing with different aging states were investigated for the bottom and top of atmosphere (BOA and TOA). The simulations showed that black carbon radiative forcing increased at BOA and decreased at TOA after their aging processes. Thinly and heavily coated states increased up to ~12% and ~35% black carbon radiative forcing at BOA, and black carbon radiative forcing at TOA can reach to ~20% and ~100% smaller for thinly and heavily coated states than those of freshly emitted states, respectively. The effect of aging states of black carbon radiative forcing was varied with surface albedo, aerosol optical depth and solar zenith angles. These findings would be helpful for the assessments of climate change.

Finite element for rotor/stator interactive forces in general engine dynamic simulation. Part 1: Development of bearing damper element

NASA Technical Reports Server (NTRS)

Adams, M. L.; Padovan, J.; Fertis, D. G.

1980-01-01

A general purpose squeeze-film damper interactive force element was developed, coded into a software package (module) and debugged. This software package was applied to nonliner dynamic analyses of some simple rotor systems. Results for pressure distributions show that the long bearing (end sealed) is a stronger bearing as compared to the short bearing as expected. Results of the nonlinear dynamic analysis, using a four degree of freedom simulation model, showed that the orbit of the rotating shaft increases nonlinearity to fill the bearing clearance as the unbalanced weight increases.

Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors.

PubMed

Sundar, Vikram; Gelbwaser-Klimovsky, David; Aspuru-Guzik, Alán

2018-04-05

Modeling nuclear quantum effects is required for accurate molecular dynamics (MD) simulations of molecules. The community has paid special attention to water and other biomolecules that show hydrogen bonding. Standard methods of modeling nuclear quantum effects like Ring Polymer Molecular Dynamics (RPMD) are computationally costlier than running classical trajectories. A force-field functor (FFF) is an alternative method that computes an effective force field that replicates quantum properties of the original force field. In this work, we propose an efficient method of computing FFF using the Wigner-Kirkwood expansion. As a test case, we calculate a range of thermodynamic properties of Neon, obtaining the same level of accuracy as RPMD, but with the shorter runtime of classical simulations. By modifying existing MD programs, the proposed method could be used in the future to increase the efficiency and accuracy of MD simulations involving water and proteins.

Numeric simulation model for long-term orthodontic tooth movement with contact boundary conditions using the finite element method.

PubMed

Hamanaka, Ryo; Yamaoka, Satoshi; Anh, Tuan Nguyen; Tominaga, Jun-Ya; Koga, Yoshiyuki; Yoshida, Noriaki

2017-11-01

Although many attempts have been made to simulate orthodontic tooth movement using the finite element method, most were limited to analyses of the initial displacement in the periodontal ligament and were insufficient to evaluate the effect of orthodontic appliances on long-term tooth movement. Numeric simulation of long-term tooth movement was performed in some studies; however, neither the play between the brackets and archwire nor the interproximal contact forces were considered. The objectives of this study were to simulate long-term orthodontic tooth movement with the edgewise appliance by incorporating those contact conditions into the finite element model and to determine the force system when the space is closed with sliding mechanics. We constructed a 3-dimensional model of maxillary dentition with 0.022-in brackets and 0.019 × 0.025-in archwire. Forces of 100 cN simulating sliding mechanics were applied. The simulation was accomplished on the assumption that bone remodeling correlates with the initial tooth displacement. This method could successfully represent the changes in the moment-to-force ratio: the tooth movement pattern during space closure. We developed a novel method that could simulate the long-term orthodontic tooth movement and accurately determine the force system in the course of time by incorporating contact boundary conditions into finite element analysis. It was also suggested that friction is progressively increased during space closure in sliding mechanics. Copyright © 2017. Published by Elsevier Inc.

Direct-Numerical and Large-Eddy Simulations of a Non-Equilibrium Turbulent Kolmogorov Flow

NASA Technical Reports Server (NTRS)

Woodruff, S. L.; Shebalin, J. V.; Hussaini, M. Y.

1999-01-01

A non-equilibrium form of turbulent Kolmogorov flow is set up by making an instantaneous change in the amplitude of the spatially-periodic forcing. It is found that the response of the flow to this instantaneous change becomes more dramatic as the wavenumber of the forcing is increased, and, at the same time, that the faithfulness with which the large-eddy-simulation results agree with the direct-numerical results decreases.

Phase-field-crystal investigation of the morphology of a steady-state dendrite tip on the atomic scale

NASA Astrophysics Data System (ADS)

Tang, Sai; Wang, Jincheng; Li, Junjie; Wang, Zhijun; Guo, Yaolin; Guo, Can; Zhou, Yaohe

2017-06-01

Through phase-field-crystal (PFC) simulations, we investigated, on the atomic scale, the crucial role played by interface energy anisotropy and growth driving force during the morphological evolution of a dendrite tip at low growth driving force. In the layer-by-layer growth manner, the interface energy anisotropy drives the forefront of the dendrite tip to evolve to be highly similar to the corner of the corresponding equilibrium crystal from the aspects of atom configuration and morphology, and thus affects greatly the formation and growth of a steady-state dendrite tip. Meanwhile, the driving force substantially influences the part behind the forefront of the dendrite tip, rather than the forefront itself. However, as the driving force increases enough to change the layer-by-layer growth to the multilayer growth, the morphology of the dendrite tip's forefront is completely altered. Parabolic fitting of the dendrite tip reveals that an increase in the influence of interface energy anisotropy makes dendrite tips deviate increasingly from a parabolic shape. By quantifying the deviations under various interface energy anisotropies and growth driving forces, it is suggested that a perfect parabola is an asymptotic limit for the shape of the dendrite tips. Furthermore, the atomic scale description of the dendrite tip obtained in the PFC simulation is compatible with the mesoscopic results obtained in the phase-field simulation in terms of the dendrite tip's morphology and the stability criterion constant.

Nonconservative dynamics in long atomic wires

NASA Astrophysics Data System (ADS)

Cunningham, Brian; Todorov, Tchavdar N.; Dundas, Daniel

2014-09-01

The effect of nonconservative current-induced forces on the ions in a defect-free metallic nanowire is investigated using both steady-state calculations and dynamical simulations. Nonconservative forces were found to have a major influence on the ion dynamics in these systems, but their role in increasing the kinetic energy of the ions decreases with increasing system length. The results illustrate the importance of nonconservative effects in short nanowires and the scaling of these effects with system size. The dependence on bias and ion mass can be understood with the help of a simple pen and paper model. This material highlights the benefit of simple preliminary steady-state calculations in anticipating aspects of brute-force dynamical simulations, and provides rule of thumb criteria for the design of stable quantum wires.

Biomechanical calculation of human TM joint loading with jaw opening.

PubMed

Kuboki, T; Takenami, Y; Maekawa, K; Shinoda, M; Yamashita, A; Clark, G T

2000-11-01

A three-dimensional, static mathematical calculation of the stomatognathic system was done to predict total temporomandibular joint (TMJ) loading at different levels of jaw opening. The model assumed that muscle forces acting on the mandible could be simulated by a combination of contractile components (CCs) and elastic components (ECs) and that static equilibrium existed within the body of the mandible. The model also imposed the constraint that any generated joint reaction force would act on the centre of the condyle. The results of the model demonstrated that under all conditions of opening and for all values of the elastic modulus selected, the forces between the TMJ condyle and the articular eminence were compressive in nature. The compressive force magnitude increased from 2.7 to 27.6 N incrementally as the jaw opened from 10 to 40 mm. Overall data in this study indicated that the TMJ tissues undergo low levels of compression at open positions up to 40 mm. Finally, the condition of trismus (increased jaw closing activation with opening) was simulated, the joint reaction force at 20 mm opening increased from 7.7 to 64.9 N with only a 20% activation of the closers.

Creep force modelling for rail traction vehicles based on the Fastsim algorithm

NASA Astrophysics Data System (ADS)

Spiryagin, Maksym; Polach, Oldrich; Cole, Colin

2013-11-01

The evaluation of creep forces is a complex task and their calculation is a time-consuming process for multibody simulation (MBS). A methodology of creep forces modelling at large traction creepages has been proposed by Polach [Creep forces in simulations of traction vehicles running on adhesion limit. Wear. 2005;258:992-1000; Influence of locomotive tractive effort on the forces between wheel and rail. Veh Syst Dyn. 2001(Suppl);35:7-22] adapting his previously published algorithm [Polach O. A fast wheel-rail forces calculation computer code. Veh Syst Dyn. 1999(Suppl);33:728-739]. The most common method for creep force modelling used by software packages for MBS of running dynamics is the Fastsim algorithm by Kalker [A fast algorithm for the simplified theory of rolling contact. Veh Syst Dyn. 1982;11:1-13]. However, the Fastsim code has some limitations which do not allow modelling the creep force - creep characteristic in agreement with measurements for locomotives and other high-power traction vehicles, mainly for large traction creep at low-adhesion conditions. This paper describes a newly developed methodology based on a variable contact flexibility increasing with the ratio of the slip area to the area of adhesion. This variable contact flexibility is introduced in a modification of Kalker's code Fastsim by replacing the constant Kalker's reduction factor, widely used in MBS, by a variable reduction factor together with a slip-velocity-dependent friction coefficient decreasing with increasing global creepage. The proposed methodology is presented in this work and compared with measurements for different locomotives. The modification allows use of the well recognised Fastsim code for simulation of creep forces at large creepages in agreement with measurements without modifying the proven modelling methodology at small creepages.

Examining the origins of the hydration force between lipid bilayers using all-atom simulations.

PubMed

Gentilcore, Anastasia N; Michaud-Agrawal, Naveen; Crozier, Paul S; Stevens, Mark J; Woolf, Thomas B

2010-05-01

Using 237 all-atom double bilayer simulations, we examined the thermodynamic and structural changes that occur as a phosphatidylcholine lipid bilayer stack is dehydrated. The simulated system represents a micropatch of lipid multilayer systems that are studied experimentally using surface force apparatus, atomic force microscopy and osmotic pressure studies. In these experiments, the hydration level of the system is varied, changing the separation between the bilayers, in order to understand the forces that the bilayers feel as they are brought together. These studies have found a curious, strongly repulsive force when the bilayers are very close to each other, which has been termed the "hydration force," though the origins of this force are not clearly understood. We computationally reproduce this repulsive, relatively free energy change as bilayers come together and make qualitative conclusions as to the enthalpic and entropic origins of the free energy change. This analysis is supported by data showing structural changes in the waters, lipids and salts that have also been seen in experimental work. Increases in solvent ordering as the bilayers are dehydrated are found to be essential in causing the repulsion as the bilayers come together.

Relationship Between Deltoid and Rotator Cuff Muscles During Dynamic Shoulder Abduction: A Biomechanical Study of Rotator Cuff Tear Progression.

PubMed

Dyrna, Felix; Kumar, Neil S; Obopilwe, Elifho; Scheiderer, Bastian; Comer, Brendan; Nowak, Michael; Romeo, Anthony A; Mazzocca, Augustus D; Beitzel, Knut

2018-05-01

Previous biomechanical studies regarding deltoid function during glenohumeral abduction have primarily used static testing protocols. (1) Deltoid forces required for scapular plane abduction increase as simulated rotator cuff tears become larger, and (2) maximal abduction decreases despite increased deltoid forces. Controlled laboratory study. Twelve fresh-frozen cadaveric shoulders with a mean age of 67 years (range, 64-74 years) were used. The supraspinatus and anterior, middle, and posterior deltoid tendons were attached to individual shoulder simulator actuators. Deltoid forces and maximum abduction were recorded for the following tear patterns: intact, isolated subscapularis (SSC), isolated supraspinatus (SSP), anterosuperior (SSP + SSC), posterosuperior (infraspinatus [ISP] + SSP), and massive (SSC + SSP + ISP). Optical triads tracked 3-dimensional motion during dynamic testing. Fluoroscopy and computed tomography were used to measure critical shoulder angle, acromial index, and superior humeral head migration with massive tears. Mean values for maximum glenohumeral abduction and deltoid forces were determined. Linear mixed-effects regression examined changes in motion and forces over time. Pearson product-moment correlation coefficients ( r) among deltoid forces, critical shoulder angles, and acromial indices were calculated. Shoulders with an intact cuff required 193.8 N (95% CI, 125.5 to 262.1) total deltoid force to achieve 79.8° (95% CI, 66.4° to 93.2°) of maximum glenohumeral abduction. Compared with native shoulders, abduction decreased after simulated SSP (-27.2%; 95% CI, -43.3% to -11.1%, P = .04), anterosuperior (-51.5%; 95% CI, -70.2% to -32.8%, P < .01), and massive (-48.4%; 95% CI, -65.2% to -31.5%, P < .01) cuff tears. Increased total deltoid forces were required for simulated anterosuperior (+108.1%; 95% CI, 68.7% to 147.5%, P < .01) and massive (+57.2%; 95% CI, 19.6% to 94.7%, P = .05) cuff tears. Anterior deltoid forces were significantly greater in anterosuperior ( P < .01) and massive ( P = .03) tears. Middle deltoid forces were greater with anterosuperior tears ( P = .03). Posterior deltoid forces were greater with anterosuperior ( P = .02) and posterosuperior ( P = .04) tears. Anterior deltoid force was negatively correlated ( r = -0.89, P = .01) with critical shoulder angle (34.3°; 95% CI, 32.0° to 36.6°). Deltoid forces had no statistical correlation with acromial index (0.55; 95% CI, 0.48 to 0.61). Superior migration was 8.3 mm (95% CI, 5.5 to 11.1 mm) during testing of massive rotator cuff tears. Shoulders with rotator cuff tears require considerable compensatory deltoid function to prevent abduction motion loss. Anterosuperior tears resulted in the largest motion loss despite the greatest increase in deltoid force. Rotator cuff tears place more strain on the deltoid to prevent abduction motion loss. Fatigue or injury to the deltoid may result in a precipitous decline in abduction, regardless of tear size.

DEM Based Modeling: Grid or TIN? The Answer Depends

NASA Astrophysics Data System (ADS)

Ogden, F. L.; Moreno, H. A.

2015-12-01

The availability of petascale supercomputing power has enabled process-based hydrological simulations on large watersheds and two-way coupling with mesoscale atmospheric models. Of course with increasing watershed scale come corresponding increases in watershed complexity, including wide ranging water management infrastructure and objectives, and ever increasing demands for forcing data. Simulations of large watersheds using grid-based models apply a fixed resolution over the entire watershed. In large watersheds, this means an enormous number of grids, or coarsening of the grid resolution to reduce memory requirements. One alternative to grid-based methods is the triangular irregular network (TIN) approach. TINs provide the flexibility of variable resolution, which allows optimization of computational resources by providing high resolution where necessary and low resolution elsewhere. TINs also increase required effort in model setup, parameter estimation, and coupling with forcing data which are often gridded. This presentation discusses the costs and benefits of the use of TINs compared to grid-based methods, in the context of large watershed simulations within the traditional gridded WRF-HYDRO framework and the new TIN-based ADHydro high performance computing watershed simulator.

The first effects of fluid inertia on flows in ordered and random arrays of spheres

NASA Astrophysics Data System (ADS)

Hill, Reghan J.; Koch, Donald L.; Ladd, Anthony J. C.

2001-12-01

Theory and lattice-Boltzmann simulations are used to examine the effects of fluid inertia, at small Reynolds numbers, on flows in simple cubic, face-centred cubic and random arrays of spheres. The drag force on the spheres, and hence the permeability of the arrays, is determined at small but finite Reynolds numbers, at solid volume fractions up to the close-packed limits of the arrays. For small solid volume fraction, the simulations are compared to theory, showing that the first inertial contribution to the drag force, when scaled with the Stokes drag force on a single sphere in an unbounded fluid, is proportional to the square of the Reynolds number. The simulations show that this scaling persists at solid volume fractions up to the close-packed limits of the arrays, and that the first inertial contribution to the drag force relative to the Stokes-flow drag force decreases with increasing solid volume fraction. The temporal evolution of the spatially averaged velocity and the drag force is examined when the fluid is accelerated from rest by a constant average pressure gradient toward a steady Stokes flow. Theory for the short- and long-time behaviour is in good agreement with simulations, showing that the unsteady force is dominated by quasi-steady drag and added-mass forces. The short- and long-time added-mass coefficients are obtained from potential-flow and quasi-steady viscous-flow approximations, respectively.

Computational fluid dynamics simulation of transcatheter aortic valve degeneration.

PubMed

Dwyer, Harry A; Matthews, Peter B; Azadani, Ali; Jaussaud, Nicolas; Ge, Liang; Guy, T Sloane; Tseng, Elaine E

2009-08-01

Studied under clinical trials, transcatheter aortic valves (TAV) have demonstrated good short-term feasibility and results in high-risk surgical patients with severe aortic stenosis. However, their long-term safety and durability are unknown. The objective of this study is to evaluate hemodynamic changes within TAV created by bioprosthetic leaflet degeneration. Computational fluid dynamics (CFD) simulations were performed to evaluate the hemodynamics through TAV sclerosis (35% orifice reduction) and stenosis (78% orifice reduction). A three-dimensional surface mesh of the TAV within the aortic root was generated for each simulation. Leaflets were contained within an open, cylindrical body without attachment to the sinus commissures representing the stent. A continuous surface between the annulus and TAV excluded the geometry of the native calcified leaflets and prevented paravalvular leak. Unsteady control volume analysis throughout systole was used to calculate leaflet shear stress and total force on the TAV. Sclerosis increased total force on the TAV by 63% (0.602-0.98 N). Advancement of degeneration from sclerosis to stenosis was accompanied by an 86% increase in total force (1.82 N) but only a 32% increase in peak wall shear stress on the leaflets. Of the total force exerted on the TAV, 99% was in the direction of axial flow. Shear stresses on the TAV were greatest during peak systolic flow with stress concentrations on the tips of the leaflets. In the normal TAV, the aortic root geometry and physiologic flow dominate location and magnitude of shear stress. Following leaflet degeneration, the specific geometry of the stenosis dictates the profile of axial velocity leaving the TAV and shear stress on the leaflets. A dramatic increase in peak leaflet shear stress was observed (115 Pa stenosis vs. 87 Pa sclerosis and 29 Pa normal). CFD simulations in this study provide the first of its kind data quantifying hemodynamics within stenosed TAV. Stenosis leads to significant forces of TAV during systole; however, diastolic forces predominate even with significant stenosis. Substantial changes in peak shear stress occur with TAV degeneration. As the first implanted TAV begin to stenose, the authors recommend watchful examination for device failure.

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8

DOE PAGES

Parkes, Marie V.; Demir, Hakan; Teich-McGoldrick, Stephanie L.; ...

2014-03-28

Molecular dynamics simulations were used to investigate trends in noble gas (Ar, Kr, Xe) diffusion in the metal-organic frameworks HKUST-1 and ZIF-8. Diffusion occurs primarily through inter-cage jump events, with much greater diffusion of guest atoms in HKUST-1 compared to ZIF-8 due to the larger cage and window sizes in the former. We compare diffusion coefficients calculated for both rigid and flexible frameworks. For rigid framework simulations, in which the framework atoms were held at their crystallographic or geometry optimized coordinates, sometimes dramatic differences in guest diffusion were seen depending on the initial framework structure or the choice of frameworkmore » force field parameters. When framework flexibility effects were included, argon and krypton diffusion increased significantly compared to rigid-framework simulations using general force field parameters. Additionally, for argon and krypton in ZIF-8, guest diffusion increased with loading, demonstrating that guest-guest interactions between cages enhance inter-cage diffusion. No inter-cage jump events were seen for xenon atoms in ZIF-8 regardless of force field or initial structure, and the loading dependence of xenon diffusion in HKUST-1 is different for rigid and flexible frameworks. Diffusion of krypton and xenon in HKUST-1 depends on two competing effects: the steric effect that decreases diffusion as loading increases, and the “small cage effect” that increases diffusion as loading increases. Finally, a detailed analysis of the window size in ZIF-8 reveals that the window increases beyond its normal size to permit passage of a (nominally) larger krypton atom.« less

Does shortwave absorption by methane influence its effectiveness?

NASA Astrophysics Data System (ADS)

Modak, Angshuman; Bala, Govindasamy; Caldeira, Ken; Cao, Long

2018-01-01

In this study, using idealized step-forcing simulations, we examine the effective radiative forcing of CH4 relative to that of CO2 and compare the effects of CH4 and CO2 forcing on the climate system. A tenfold increase in CH4 concentration in the NCAR CAM5 climate model produces similar long term global mean surface warming ( 1.7 K) as a one-third increase in CO2 concentration. However, the radiative forcing estimated for CO2 using the prescribed-SST method is 81% that of CH4, indicating that the efficacy of CH4 forcing is 0.81. This estimate is nearly unchanged when the CO2 physiological effect is included in our simulations. Further, for the same long-term global mean surface warming, we simulate a smaller precipitation increase in the CH4 case compared to the CO2 case. This is because of the fast adjustment processes—precipitation reduction in the CH4 case is larger than that of the CO2 case. This is associated with a relatively more stable atmosphere and larger atmospheric radiative forcing in the CH4 case which occurs because of near-infrared absorption by CH4 in the upper troposphere and lower stratosphere. Within a month after an increase in CH4, this shortwave heating results in a temperature increase of 0.8 K in the lower stratosphere and upper troposphere. In contrast, within a month after a CO2 increase, longwave cooling results in a temperature decrease of 3 K in the stratosphere and a small change in the upper troposphere. These fast adjustments in the lower stratospheric and upper tropospheric temperature, along with the adjustments in clouds in the troposphere, influence the effective radiative forcing and the fast precipitation response. These differences in fast climate adjustments also produce differences in the climate states from which the slow response begins to evolve and hence they are likely associated with differing feedbacks. We also find that the tropics and subtropics are relatively warmer in the CH4 case for the same global mean surface warming because of a larger longwave clear-sky and shortwave cloud forcing over these regions in the CH4 case. Further investigation using a multi-model intercomparison framework would permit an assessment of the robustness of our results.

Depletion forces on circular and elliptical obstacles induced by active matter

NASA Astrophysics Data System (ADS)

Leite, L. R.; Lucena, D.; Potiguar, F. Q.; Ferreira, W. P.

2016-12-01

Depletion forces exerted by self-propelled particles on circular and elliptical passive objects are studied using numerical simulations. We show that a bath of active particles can induce repulsive and attractive forces which are sensitive to the shape and orientation of the passive objects (either horizontal or vertical ellipses). The resultant force on the passive objects due to the active particles is studied as a function of the shape and orientation of the passive objects, magnitude of the angular noise, and distance between the passive objects. By increasing the distance between obstacles the magnitude of the repulsive depletion force increases, as long as such a distance is less than one active particle diameter. For longer distances, the magnitude of the force always decreases with increasing distance. We also found that attractive forces may arise for vertical ellipses at high enough area fraction.

Depletion forces on circular and elliptical obstacles induced by active matter.

PubMed

Leite, L R; Lucena, D; Potiguar, F Q; Ferreira, W P

2016-12-01

Depletion forces exerted by self-propelled particles on circular and elliptical passive objects are studied using numerical simulations. We show that a bath of active particles can induce repulsive and attractive forces which are sensitive to the shape and orientation of the passive objects (either horizontal or vertical ellipses). The resultant force on the passive objects due to the active particles is studied as a function of the shape and orientation of the passive objects, magnitude of the angular noise, and distance between the passive objects. By increasing the distance between obstacles the magnitude of the repulsive depletion force increases, as long as such a distance is less than one active particle diameter. For longer distances, the magnitude of the force always decreases with increasing distance. We also found that attractive forces may arise for vertical ellipses at high enough area fraction.

Direct dynamics simulation of the impact phase in heel-toe running.

PubMed

Gerritsen, K G; van den Bogert, A J; Nigg, B M

1995-06-01

The influence of muscle activation, position and velocities of body segments at touchdown and surface properties on impact forces during heel-toe running was investigated using a direct dynamics simulation technique. The runner was represented by a two-dimensional four- (rigid body) segment musculo-skeletal model. Incorporated into the muscle model were activation dynamics, force-length and force-velocity characteristics of seven major muscle groups of the lower extremities: mm. glutei, hamstrings, m. rectus femoris, mm. vasti, m. gastrocnemius, m. soleus and m. tibialis anterior. The vertical force-deformation characteristics of heel, shoe and ground were modeled by a non-linear visco-elastic element. The maximum of a typical simulated impact force was 1.6 times body weight. The influence of muscle activation was examined by generating muscle stimulation combinations which produce the same (experimentally determined) resultant joint moments at heelstrike. Simulated impact peak forces with these different combinations of muscle stimulation levels varied less than 10%. Without this restriction on initial joint moments, muscle activation had potentially a much larger effect on impact force. Impact peak force was to a great extent influenced by plantar flexion (85 N per degree of change in foot angle) and vertical velocity of the heel (212 N per 0.1 m s-1 change in velocity) at touchdown. Initial knee flexion (68 N per degree of change in leg angle) also played a role in the absorption of impact. Increased surface stiffness resulted in higher impact peak forces (60 N mm-1 decrease in deformation).(ABSTRACT TRUNCATED AT 250 WORDS)

The Response of the South Asian Summer Monsoon Circulation to Intensified Irrigation in Global Climate Model Simulations

NASA Technical Reports Server (NTRS)

Shukla, Sonali P.; Puma, Michael J.; Cook, Benjamin I.

2013-01-01

Agricultural intensification in South Asia has resulted in the expansion and intensification of surface irrigation over the twentieth century. The resulting changes to the surface energy balance could affect the temperature contrasts between the South Asian land surface and the equatorial Indian Ocean, potentially altering the South Asian Summer Monsoon (SASM) circulation. Prior studies have noted apparent declines in the monsoon intensity over the twentieth century and have focused on how altered surface energy balances impact the SASM rainfall distribution. Here, we use the coupled Goddard Institute for Space Studies ModelE-R general circulation model to investigate the impact of intensifying irrigation on the large-scale SASM circulation over the twentieth century, including how the effect of irrigation compares to the impact of increasing greenhouse gas (GHG) forcing. We force our simulations with time-varying, historical estimates of irrigation, both alone and with twentieth century GHGs and other forcings. In the irrigation only experiment, irrigation rates correlate strongly with lower and upper level temperature contrasts between the Indian sub-continent and the Indian Ocean (Pearson's r = -0.66 and r = -0.46, respectively), important quantities that control the strength of the SASM circulation. When GHG forcing is included, these correlations strengthen: r = -0.72 and r = -0.47 for lower and upper level temperature contrasts, respectively. Under irrigated conditions, the mean SASM intensity in the model decreases only slightly and insignificantly. However, in the simulation with irrigation and GHG forcing, inter-annual variability of the SASM circulation decreases by *40 %, consistent with trends in the reanalysis products. This suggests that the inclusion of irrigation may be necessary to accurately simulate the historical trends and variability of the SASM system over the last 50 years. These findings suggest that intensifying irrigation, in concert with increased GHG forcing, is capable of reducing the variability of the simulated SASM circulation and altering the regional moisture transport by limiting the surface warming and reducing land-sea temperature gradients.

Drift induced by repeated hydropeaking waves in controlled conditions

NASA Astrophysics Data System (ADS)

Maiolini, Bruno; Bruno, M. Cristina; Biffi, Sofia; Cashman, Matthew J.

2014-05-01

Repeated hydropeaking events characterize most alpine rivers downstream of power plants fed by high elevation reservoirs. The effects of hydropeaking on the benthic communities are well known, and usually each hydropeaking wave causes an increase in tractive force and changes in temperature and water quality. Simulations of hydropeaking in artificial system can help to disentangle the direct effects of the modified flow regime from impacts associated with other associated physio-chemical changes, and with the effects of river regulation and land-use changes that often accompany water resource development. In September 2013 we conducted a set of controlled simulations in five steel flumes fed by an Alpine stream (Fersina stream, Adige River catchment, Trentino, Italy), where benthic invertebrates can freely colonize the flumes. One flume was used as control with no change in flow, in the other four flumes we simulated an hydropeaking wave lasting six hours, and repeated for five consecutive days. Flow was increased by twice baseflow in two flumes, and three times in the other two. We collected benthic samples before the beginning (morning of day 1) and after the end (afternoon of day 5) of the set of simulations to evaluate changes in the benthic communities due to induced drift migration. During each simulation, we collected drifting organisms at short time intervals to assess the responses to: 1) the initial discharge increase, 2) the persistence of high flows for several hours; 3) the decrease of discharge to the baseflow; 4) the change in drift with each successive day. Preliminary results indicate typical strong increases of catastrophic drift on the onset of each simulated hydropeaking, drift responses proportional to the absolute discharge increase, a decrease in the drift responses over successive days. Different taxa responded with different patterns: taxa which resist tractive force increased in drift only during the periods of baseflow that follow the habitat stress (behavioral drift) (e.g., Simuliidae, behavioral drift); other taxa which can not resist the increase in tractive force, drifted from the beginning of the simulation (e.g., Chironomidae, catastrophic drift).

Parameterization of aerosol scavenging due to atmospheric ionization under varying relative humidity

NASA Astrophysics Data System (ADS)

Zhang, Liang; Tinsley, Brian A.

2017-05-01

Simulations and parameterizations of the modulation of aerosol scavenging by electric charges on particles and droplets for different relative humidities have been made for 3 μm radii droplets and a wide range of particle radii. For droplets and particles with opposite-sign charges, the attractive Coulomb force increases the collision rate coefficients above values due to other forces. With same-sign charges, the repulsive Coulomb force decreases the rate coefficients, and the short-range attractive image forces become important. The phoretic forces are attractive for relative humidity less than 100% and repulsive for relative humidity greater than 100% and have increasing overall effect for particle radii up to about 1 μm. There is an analytic solution for rate coefficients if only inverse square forces are present, but due to the presence of image forces, and for larger particles the intercept, weight, and the flow around the particle affecting the droplet trajectory, the simulated results usually depart far from the analytic solution. We give simple empirical parameterization formulas for some cases and more complex parameterizations for more exact fits to the simulated results. The results can be used in cloud models with growing droplets, as in updrafts, as well as with evaporating droplets in downdrafts. There is considered to be little scavenging of uncharged ice-forming nuclei in updrafts, but with charged ice-forming nuclei it is possible for scavenging in updrafts in cold clouds to produce contact ice nucleation. Scavenging in updrafts below the freezing level produces immersion nuclei that promote enhanced freezing as droplets rise above it.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta Proteins.

PubMed

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A

2009-03-10

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins

PubMed Central

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A.

2009-01-01

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster. PMID:20161452

Investigation into the Effect of Acoustic Radiation Force and Acoustic Streaming on Particle Patterning in Acoustic Standing Wave Fields

PubMed Central

Yang, Yanye; Ni, Zhengyang; Guo, Xiasheng; Luo, Linjiao; Tu, Juan; Zhang, Dong

2017-01-01

Acoustic standing waves have been widely used in trapping, patterning, and manipulating particles, whereas one barrier remains: the lack of understanding of force conditions on particles which mainly include acoustic radiation force (ARF) and acoustic streaming (AS). In this paper, force conditions on micrometer size polystyrene microspheres in acoustic standing wave fields were investigated. The COMSOL® Mutiphysics particle tracing module was used to numerically simulate force conditions on various particles as a function of time. The velocity of particle movement was experimentally measured using particle imaging velocimetry (PIV). Through experimental and numerical simulation, the functions of ARF and AS in trapping and patterning were analyzed. It is shown that ARF is dominant in trapping and patterning large particles while the impact of AS increases rapidly with decreasing particle size. The combination of using both ARF and AS for medium size particles can obtain different patterns with only using ARF. Findings of the present study will aid the design of acoustic-driven microfluidic devices to increase the diversity of particle patterning. PMID:28753955

Water's role in the force-induced unfolding of ubiquitin.

PubMed

Li, Jingyuan; Fernandez, Julio M; Berne, B J

2010-11-09

In atomic force spectroscopic studies of the elastomeric protein ubiquitin, the β-strands 1-5 serve as the force clamp. Simulations show how the rupture force in the force-induced unfolding depends on the kinetics of water molecule insertion into positions where they can eventually form hydrogen bonding bridges with the backbone hydrogen bonds in the force-clamp region. The intrusion of water into this region is slowed down by the hydrophobic shielding effect of carbonaceous groups on the surface residues of β-strands 1-5, which thereby regulates water insertion prior to hydrogen bond breakage. The experiments show that the unfolding of the mechanically stressed protein is nonexponential due to static disorder. Our simulations show that different numbers and/or locations of bridging water molecules give rise to a long-lived distribution of transition states and static disorder. We find that slowing down the translational (not rotational) motions of the water molecules by increasing the mass of their oxygen atoms, which leaves the force field and thereby the equilibrium structure of the solvent unchanged, increases the average rupture force; however, the early stages of the force versus time behavior are very similar for our "normal" and fictitious "heavy" water models. Finally, we construct six mutant systems to regulate the hydrophobic shielding effect of the surface residues in the force-clamp region. The mutations in the two termini of β-sheets 1-5 are found to determine a preference for different unfolding pathways and change mutant's average rupture force.

Effect of van der Waals forces on thermal conductance at the interface of a single-wall carbon nanotube array and silicon

NASA Astrophysics Data System (ADS)

Feng, Ya; Zhu, Jie; Tang, Dawei

2014-12-01

Molecular dynamics simulations are performed to evaluate the effect of van der Waals forces among single-wall carbon nanotubes (SWNTs) on the interfacial thermal conductance between a SWNT array and silicon substrate. First, samples of SWNTs vertically aligned on silicon substrate are simulated, where both the number and arrangement of SWNTs are varied. Results reveal that the interfacial thermal conductance of a SWNT array/Si with van der Waals forces present is higher than when they are absent. To better understand how van der Waals forces affect heat transfer through the interface between SWNTs and silicon, further constructs of one SWNT surrounded by different numbers of other ones are studied, and the results show that the interfacial thermal conductance of the central SWNT increases with increasing van der Waals forces. Through analysis of the covalent bonds and vibrational density of states at the interface, we find that heat transfer across the interface is enhanced with a greater number of chemical bonds and that improved vibrational coupling of the two sides of the interface results in higher interfacial thermal conductance. Van der Waals forces stimulate heat transfer at the interface.

Accelerated SPECT Monte Carlo Simulation Using Multiple Projection Sampling and Convolution-Based Forced Detection

NASA Astrophysics Data System (ADS)

Liu, Shaoying; King, Michael A.; Brill, Aaron B.; Stabin, Michael G.; Farncombe, Troy H.

2008-02-01

Monte Carlo (MC) is a well-utilized tool for simulating photon transport in single photon emission computed tomography (SPECT) due to its ability to accurately model physical processes of photon transport. As a consequence of this accuracy, it suffers from a relatively low detection efficiency and long computation time. One technique used to improve the speed of MC modeling is the effective and well-established variance reduction technique (VRT) known as forced detection (FD). With this method, photons are followed as they traverse the object under study but are then forced to travel in the direction of the detector surface, whereby they are detected at a single detector location. Another method, called convolution-based forced detection (CFD), is based on the fundamental idea of FD with the exception that detected photons are detected at multiple detector locations and determined with a distance-dependent blurring kernel. In order to further increase the speed of MC, a method named multiple projection convolution-based forced detection (MP-CFD) is presented. Rather than forcing photons to hit a single detector, the MP-CFD method follows the photon transport through the object but then, at each scatter site, forces the photon to interact with a number of detectors at a variety of angles surrounding the object. This way, it is possible to simulate all the projection images of a SPECT simulation in parallel, rather than as independent projections. The result of this is vastly improved simulation time as much of the computation load of simulating photon transport through the object is done only once for all projection angles. The results of the proposed MP-CFD method agrees well with the experimental data in measurements of point spread function (PSF), producing a correlation coefficient (r2) of 0.99 compared to experimental data. The speed of MP-CFD is shown to be about 60 times faster than a regular forced detection MC program with similar results.

Are there interactive effects of physiological and radiative forcing produced by increased CO2 concentration on changes of land hydrological cycle?

NASA Astrophysics Data System (ADS)

Peng, Jing; Dan, Li; Dong, Wenjie

2014-01-01

Three coupled climate-carbon cycle models including CESM (Community Earth System Model), CanEsm (the Canadian Centre for Climate Modelling and Analysis Earth System Model) and BCC (Beijing Climate Center Climate System Model) were used to estimate whether changes in land hydrological cycle responded to the interactive effects of CO2-physiological forcing and CO2-radiative forcing. No signs could be indicated that the interactive effects of CO2-physiological forcing and CO2-radiative forcing on the hydrological variables (e.g. precipitation, evapotranspiration and runoff) were detected at global and regional scales. For each model, increases in precipitation, evapotranspiration and runoff (e.g. 0.37, 0.18 and 0.25 mm/year2) were simulated in response to CO2-radiative forcing (experiment M3). Decreases in precipitation and evapotranspiration (about - 0.02 and - 0.09 mm/year2) were captured if the CO2 physiological effect was only accounted for (experiment M2). In this experiment, a reverse sign in runoff (the increase of 0.08 mm/year2) in contrast to M3 is presented. All models simulated the same signs across Eastern Asia in response to the CO2 physiological forcing and radiative forcing: increases in precipitation and evapotranspiration only considering greenhouse effect; reductions in precipitation and evapotranspiration in response to CO2-physiological effect; and enhanced trends in runoff from all experiments. However, there was still a large uncertainty on the magnitude of the effect of transpiration on runoff (decreased transpiration accounting for 8% to 250% of the increased runoff) from the three models. Two models (CanEsm and BCC) attributed most of the increase in runoff to the decrease in transpiration if the CO2-physiological effect was only accounted for, whereas CESM exhibited that the decrease in transpiration could not totally explain the increase in runoff. The attribution of the CO2-physiological forcing to changes in stomatal conductance versus changes in vegetation structure (e.g. increased Leaf Area Index) is an issue to discuss, and among the three models, no agreement appeared.

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment.

PubMed

Henriques, João; Cragnell, Carolina; Skepö, Marie

2015-07-14

An increasing number of studies using molecular dynamics (MD) simulations of unfolded and intrinsically disordered proteins (IDPs) suggest that current force fields sample conformations that are overly collapsed. Here, we study the applicability of several state-of-the-art MD force fields, of the AMBER and GROMOS variety, for the simulation of Histatin 5, a short (24 residues) cationic salivary IDP with antimicrobial and antifungal properties. The quality of the simulations is assessed in three complementary analyses: (i) protein shape and size comparison with recent experimental small-angle X-ray scattering data; (ii) secondary structure prediction; (iii) energy landscape exploration and conformational class analysis. Our results show that, indeed, standard force fields sample conformations that are too compact, being systematically unable to reproduce experimental evidence such as the scattering function, the shape of the protein as compared with the Kratky plot, and intrapeptide distances obtained through the pair distance distribution function, p(r). The consistency of this deviation suggests that the problem is not mainly due to protein-protein or water-water interactions, whose parametrization varies the most between force fields and water models. In fact, as originally proposed in [ Best et al. J. Chem. Theory Comput. 2014, 10, 5113 - 5124.], balanced protein-water interactions may be the key to solving this problem. Our simulations using this approach produce results in very good agreement with experiment.

The effects of model composition design choices on high-fidelity simulations of motoneuron recruitment and firing behaviors

NASA Astrophysics Data System (ADS)

Allen, John M.; Elbasiouny, Sherif M.

2018-06-01

Objective. Computational models often require tradeoffs, such as balancing detail with efficiency; yet optimal balance should incorporate sound design features that do not bias the results of the specific scientific question under investigation. The present study examines how model design choices impact simulation results. Approach. We developed a rigorously-validated high-fidelity computational model of the spinal motoneuron pool to study three long-standing model design practices which have yet to be examined for their impact on motoneuron recruitment, firing rate, and force simulations. The practices examined were the use of: (1) generic cell models to simulate different motoneuron types, (2) discrete property ranges for different motoneuron types, and (3) biological homogeneity of cell properties within motoneuron types. Main results. Our results show that each of these practices accentuates conditions of motoneuron recruitment based on the size principle, and minimizes conditions of mixed and reversed recruitment orders, which have been observed in animal and human recordings. Specifically, strict motoneuron orderly size recruitment occurs, but in a compressed range, after which mixed and reverse motoneuron recruitment occurs due to the overlap in electrical properties of different motoneuron types. Additionally, these practices underestimate the motoneuron firing rates and force data simulated by existing models. Significance. Our results indicate that current modeling practices increase conditions of motoneuron recruitment based on the size principle, and decrease conditions of mixed and reversed recruitment order, which, in turn, impacts the predictions made by existing models on motoneuron recruitment, firing rate, and force. Additionally, mixed and reverse motoneuron recruitment generated higher muscle force than orderly size motoneuron recruitment in these simulations and represents one potential scheme to increase muscle efficiency. The examined model design practices, as well as the present results, are applicable to neuronal modeling throughout the nervous system.

The effects of model composition design choices on high-fidelity simulations of motoneuron recruitment and firing behaviors.

PubMed

Allen, John M; Elbasiouny, Sherif M

2018-06-01

Computational models often require tradeoffs, such as balancing detail with efficiency; yet optimal balance should incorporate sound design features that do not bias the results of the specific scientific question under investigation. The present study examines how model design choices impact simulation results. We developed a rigorously-validated high-fidelity computational model of the spinal motoneuron pool to study three long-standing model design practices which have yet to be examined for their impact on motoneuron recruitment, firing rate, and force simulations. The practices examined were the use of: (1) generic cell models to simulate different motoneuron types, (2) discrete property ranges for different motoneuron types, and (3) biological homogeneity of cell properties within motoneuron types. Our results show that each of these practices accentuates conditions of motoneuron recruitment based on the size principle, and minimizes conditions of mixed and reversed recruitment orders, which have been observed in animal and human recordings. Specifically, strict motoneuron orderly size recruitment occurs, but in a compressed range, after which mixed and reverse motoneuron recruitment occurs due to the overlap in electrical properties of different motoneuron types. Additionally, these practices underestimate the motoneuron firing rates and force data simulated by existing models. Our results indicate that current modeling practices increase conditions of motoneuron recruitment based on the size principle, and decrease conditions of mixed and reversed recruitment order, which, in turn, impacts the predictions made by existing models on motoneuron recruitment, firing rate, and force. Additionally, mixed and reverse motoneuron recruitment generated higher muscle force than orderly size motoneuron recruitment in these simulations and represents one potential scheme to increase muscle efficiency. The examined model design practices, as well as the present results, are applicable to neuronal modeling throughout the nervous system.

Nucleic acids: theory and computer simulation, Y2K.

PubMed

Beveridge, D L; McConnell, K J

2000-04-01

Molecular dynamics simulations on DNA and RNA that include solvent are now being performed under realistic environmental conditions of water activity and salt. Improvements to force-fields and treatments of long-range interactions have significantly increased the reliability of simulations. New studies of sequence effects, axis bending, solvation and conformational transitions have appeared.

The Influence of Shape on the Output Potential of ZnO Nanostructures: Sensitivity to Parallel versus Perpendicular Forces.

PubMed

Cardoso, José; Oliveira, Filipe F; Proenca, Mariana P; Ventura, João

2018-05-22

With the consistent shrinking of devices, micro-systems are, nowadays, widely used in areas such as biomedics, electronics, automobiles, and measurement devices. As devices shrunk, so too did their energy consumptions, opening the way for the use of nanogenerators (NGs) as power sources. In particular, to harvest energy from an object's motion (mechanical vibrations, torsional forces, or pressure), present NGs are mainly composed of piezoelectric materials in which, upon an applied compressive or strain force, an electrical field is produced that can be used to power a device. The focus of this work is to simulate the piezoelectric effect in different ZnO nanostructures to optimize the output potential generated by a nanodevice. In these simulations, cylindrical nanowires, nanomushrooms, and nanotrees were created, and the influence of the nanostructures' shape on the output potential was studied as a function of applied parallel and perpendicular forces. The obtained results demonstrated that the output potential is linearly proportional to the applied force and that perpendicular forces are more efficient in all structures. However, nanotrees were found to have an increased sensitivity to parallel applied forces, which resulted in a large enhancement of the output efficiency. These results could then open a new path to increase the efficiency of piezoelectric nanogenerators.

Quantification of the trade-off between force attenuation and balance impairment in the design of compliant safety floors.

PubMed

Glinka, Michal N; Cheema, Kim P; Robinovitch, Stephen N; Laing, Andrew C

2013-10-01

Safety floors (also known as compliant floors) may reduce the risk of fall-related injuries by attenuating impact force during falls, but are only practical if they do not negatively affect balance and mobility. In this study, we evaluated seven safety surfaces based on their ability to attenuate peak femoral neck force during simulated hip impacts, and their influence on center of pressure (COP) sway during quiet and tandem stance. Overall, we found that some safety floors can attenuate up to 33.7% of the peak femoral impact force without influencing balance. More specifically, during simulated hip impacts, force attenuation for the safety floors ranged from 18.4 (SD 4.3)% to 47.2 (3.1)%, with each floor significantly reducing peak force compared with a rigid surface. For quiet stance, only COP root mean square was affected by flooring (and increased for only two safety floors). During tandem stance, COP root mean square and mean velocity increased in the medial-lateral direction for three of the seven floors. Based on the substantial force attenuation with no concomitant effects on balance for some floors, these results support the development of clinical trials to assess the effectiveness of safety floors at reducing fall-related injuries in high-risk settings.

Multiphase magnetic systems: Measurement and simulation

NASA Astrophysics Data System (ADS)

Cao, Yue; Ahmadzadeh, Mostafa; Xu, Ke; Dodrill, Brad; McCloy, John S.

2018-01-01

Multiphase magnetic systems are common in nature and are increasingly being recognized in technical applications. One characterization method which has shown great promise for determining separate and collective effects of multiphase magnetic systems is first order reversal curves (FORCs). Several examples are given of FORC patterns which provide distinguishing evidence of multiple phases. In parallel, a visualization method for understanding multiphase magnetic interaction is given, which allocates Preisach magnetic elements as an input "Preisach hysteron distribution pattern" to enable simulation of different "wasp-waisted" magnetic behaviors. These simulated systems allow reproduction of different major hysteresis loops and FORC patterns of real systems and parameterized theoretical systems. The experimental FORC measurements and FORC diagrams of four commercially obtained magnetic materials, particularly those sold as nanopowders, show that these materials are often not phase pure. They exhibit complex hysteresis behaviors that are not predictable based on relative phase fraction obtained by characterization methods such as diffraction. These multiphase materials, consisting of various fractions of BaFe12O19, ɛ-Fe2O3, and γ-Fe2O3, are discussed.

Gravitational force and the cardiovascular system

NASA Technical Reports Server (NTRS)

Pendergast, D. R.; Olszowka, A. J.; Rokitka, M. A.; Farhi, L. E.

1991-01-01

Ground-based simulation studies have been conducted to clarify the problems of the cardiovascular adaptation to alterations in gravitational force. Simulated microgravity experiments resulted in increases in cardiac stretch, urine flow, and sodium excretion, which were accompanied by lower plasma renin, aldosterone, and ADH. There appears to be a decrease in plasma volume as well as in sympathetic tone after 2-3 days of 0 Gz. Complete adjustment to 0 Gz is found within 8 h without a decrease in plasma volume, when subjects are allowed to dehydrate mildly.

Simulations of the Quasi-Biennial Oscillation and its Effect on Stratospheric H2O, CH4, and Age of Air with an Interactive Two-Dimensional Model

DTIC Science & Technology

2002-11-22

November 2002. [1] A zonally averaged photochemical–dynamical model of the middle atmosphere is used to simulate the quasi-biennial oscillation ( QBO ) and... QBO period. Comparable changes in prescribed tropical heating have a smaller effect on the QBO period. The response of tropical upwelling, and QBO ...wave forcing is smaller than in the Northern Hemisphere, increased forcing produces stronger equatorial upwelling and a longer QBO period. In the

The force pyramid: a spatial analysis of force application during virtual reality brain tumor resection.

PubMed

Azarnoush, Hamed; Siar, Samaneh; Sawaya, Robin; Zhrani, Gmaan Al; Winkler-Schwartz, Alexander; Alotaibi, Fahad Eid; Bugdadi, Abdulgadir; Bajunaid, Khalid; Marwa, Ibrahim; Sabbagh, Abdulrahman Jafar; Del Maestro, Rolando F

2017-07-01

OBJECTIVE Virtual reality simulators allow development of novel methods to analyze neurosurgical performance. The concept of a force pyramid is introduced as a Tier 3 metric with the ability to provide visual and spatial analysis of 3D force application by any instrument used during simulated tumor resection. This study was designed to answer 3 questions: 1) Do study groups have distinct force pyramids? 2) Do handedness and ergonomics influence force pyramid structure? 3) Are force pyramids dependent on the visual and haptic characteristics of simulated tumors? METHODS Using a virtual reality simulator, NeuroVR (formerly NeuroTouch), ultrasonic aspirator force application was continually assessed during resection of simulated brain tumors by neurosurgeons, residents, and medical students. The participants performed simulated resections of 18 simulated brain tumors with different visual and haptic characteristics. The raw data, namely, coordinates of the instrument tip as well as contact force values, were collected by the simulator. To provide a visual and qualitative spatial analysis of forces, the authors created a graph, called a force pyramid, representing force sum along the z-coordinate for different xy coordinates of the tool tip. RESULTS Sixteen neurosurgeons, 15 residents, and 84 medical students participated in the study. Neurosurgeon, resident and medical student groups displayed easily distinguishable 3D "force pyramid fingerprints." Neurosurgeons had the lowest force pyramids, indicating application of the lowest forces, followed by resident and medical student groups. Handedness, ergonomics, and visual and haptic tumor characteristics resulted in distinct well-defined 3D force pyramid patterns. CONCLUSIONS Force pyramid fingerprints provide 3D spatial assessment displays of instrument force application during simulated tumor resection. Neurosurgeon force utilization and ergonomic data form a basis for understanding and modulating resident force application and improving patient safety during tumor resection.

Virtual reality simulation: basic concepts and use in endoscopic neurosurgery training.

PubMed

Cohen, Alan R; Lohani, Subash; Manjila, Sunil; Natsupakpong, Suriya; Brown, Nathan; Cavusoglu, M Cenk

2013-08-01

Virtual reality simulation is a promising alternative to training surgical residents outside the operating room. It is also a useful aide to anatomic study, residency training, surgical rehearsal, credentialing, and recertification. Surgical simulation is based on a virtual reality with varying degrees of immersion and realism. Simulators provide a no-risk environment for harmless and repeatable practice. Virtual reality has three main components of simulation: graphics/volume rendering, model behavior/tissue deformation, and haptic feedback. The challenge of accurately simulating the forces and tactile sensations experienced in neurosurgery limits the sophistication of a virtual simulator. The limited haptic feedback available in minimally invasive neurosurgery makes it a favorable subject for simulation. Virtual simulators with realistic graphics and force feedback have been developed for ventriculostomy, intraventricular surgery, and transsphenoidal pituitary surgery, thus allowing preoperative study of the individual anatomy and increasing the safety of the procedure. The authors also present experiences with their own virtual simulation of endoscopic third ventriculostomy.

A numerical simulation approach to studying anterior cruciate ligament strains and internal forces among young recreational women performing valgus inducing stop-jump activities.

PubMed

Kar, Julia; Quesada, Peter M

2012-08-01

Anterior cruciate ligament (ACL) injuries are commonly incurred by recreational and professional women athletes during non-contact jumping maneuvers in sports like basketball and volleyball, where incidences of ACL injury is more frequent to females compared to males. What remains a numerical challenge is in vivo calculation of ACL strain and internal force. This study investigated effects of increasing stop-jump height on neuromuscular and bio-mechanical properties of knee and ACL, when performed by young female recreational athletes. The underlying hypothesis is increasing stop-jump (platform) height increases knee valgus angles and external moments which also increases ACL strain and internal force. Using numerical analysis tools comprised of Inverse Kinematics, Computed Muscle Control and Forward Dynamics, a novel approach is presented for computing ACL strain and internal force based on (1) knee joint kinematics and (2) optimization of muscle activation, with ACL insertion into musculoskeletal model. Results showed increases in knee valgus external moments and angles with increasing stop-jump height. Increase in stop-jump height from 30 to 50 cm lead to increase in average peak valgus external moment from 40.5 ± 3.2 to 43.2 ± 3.7 Nm which was co-incidental with increase in average peak ACL strain, from 9.3 ± 3.1 to 13.7 ± 1.1%, and average peak ACL internal force, from 1056.1 ± 71.4 to 1165.4 ± 123.8 N for the right side with comparable increases in the left. In effect this study demonstrates a technique for estimating dynamic changes to knee and ACL variables by conducting musculoskeletal simulation on motion analysis data, collected from actual stop-jump tasks performed by young recreational women athletes.

Molecular dynamics simulations of highly crowded amino acid solutions: comparisons of eight different force field combinations with experiment and with each other

PubMed Central

Andrews, Casey T.

2013-01-01

Although it is now commonly accepted that the highly crowded conditions encountered inside biological cells have the potential to significantly alter the thermodynamic properties of biomolecules, it is not known to what extent the thermodynamics of fundamental types of interactions such as salt bridges and hydrophobic interactions are strengthened or weakened by high biomolecular concentrations. As one way of addressing this question we have performed a series of all-atom explicit solvent molecular dynamics (MD) simulations to investigate the effect of increasing solute concentration on the behavior of four types of zwitterionic amino acids in aqueous solution. We have simulated systems containing glycine, valine, phenylalanine or asparagine at concentrations of 50, 100, 200 and 300 mg/ml. Each molecular system has been simulated for 1 μs in order to obtain statistically converged estimates of thermodynamic parameters, and each has been conducted with 8 different force fields and water models; the combined simulation time is 128 μs. The density, viscosity, and dielectric increments of the four amino acids calculated from the simulations have been compared to corresponding experimental measurements. While all of the force fields perform well at reproducing the density increments, discrepancies for the viscosity and dielectric increments raise questions both about the accuracy of the simulation force fields and, in certain cases, the experimental data. We also observe large differences between the various force fields' descriptions of the interaction thermodynamics of salt bridges and, surprisingly, these differences also lead to qualitatively different predictions of their dependences on solute concentration. For the aliphatic interactions of valine sidechains, fewer differences are observed between the force fields, but significant differences are again observed for aromatic interactions of phenylalanine sidechains. Taken together, the results highlight the potential power of using explicit-solvent simulation methods to understand behavior in concentrated systems but also hint at potential difficulties in using these methods to obtain consistent views of behavior in intracellular environments. PMID:24409104

Experimental investigation of the hydrodynamic forces on the shroud of a centrifugal pump impeller. Thesis

NASA Technical Reports Server (NTRS)

Zhuang, Fei

1989-01-01

Fluid-induced forces acting on a rotating impeller are known to cause rotor-dynamic problems in turbomachines. The forces generated by leakage flow along the front shroud surface of a centrifugal turbomachine impeller play an important role among these fluid-induced forces. The present research was aimed to gain a better understanding of these shroud forces. An experimental apparatus was designed and constructed to simulate the impeller shroud leakage flow. Hydrodynamic forces and steady and unsteady pressure distributions on the rotating shroud were measured as functions of eccentricity, width of shroud clearance, face seal clearance and shaft rotating speed. The forces measured from the dynamometer and manometers agreed well. The hydrodynamic force matrices were found skew-symmetric and statically unstable. This is qualitatively similar to the result of previous hydrodynamic volute force measurements. Nondimensionalized normal and tangential forces decrease slightly as Reynolds number increases. As the width of the shroud clearance decreases and/or the eccentricity increases, the hydrodynamic forces increase nonlinearly. There was some evidence found that increased front seal clearance could reduce the radial shroud forces and the relative magnitude of the destabilizing tangential force. Subharmonic pressure fluctuations were also observed which may adversely affect the behavior of the rotor system.

The evolving energy budget of accretionary wedges

NASA Astrophysics Data System (ADS)

McBeck, Jessica; Cooke, Michele; Maillot, Bertrand; Souloumiac, Pauline

2017-04-01

The energy budget of evolving accretionary systems reveals how deformational processes partition energy as faults slip, topography uplifts, and layer-parallel shortening produces distributed off-fault deformation. The energy budget provides a quantitative framework for evaluating the energetic contribution or consumption of diverse deformation mechanisms. We investigate energy partitioning in evolving accretionary prisms by synthesizing data from physical sand accretion experiments and numerical accretion simulations. We incorporate incremental strain fields and cumulative force measurements from two suites of experiments to design numerical simulations that represent accretionary wedges with stronger and weaker detachment faults. One suite of the physical experiments includes a basal glass bead layer and the other does not. Two physical experiments within each suite implement different boundary conditions (stable base versus moving base configuration). Synthesizing observations from the differing base configurations reduces the influence of sidewall friction because the force vector produced by sidewall friction points in opposite directions depending on whether the base is fixed or moving. With the numerical simulations, we calculate the energy budget at two stages of accretion: at the maximum force preceding the development of the first thrust pair, and at the minimum force following the development of the pair. To identify the appropriate combination of material and fault properties to apply in the simulations, we systematically vary the Young's modulus and the fault static and dynamic friction coefficients in numerical accretion simulations, and identify the set of parameters that minimizes the misfit between the normal force measured on the physical backwall and the numerically simulated force. Following this derivation of the appropriate material and fault properties, we calculate the components of the work budget in the numerical simulations and in the simulated increments of the physical experiments. The work budget components of the physical experiments are determined from backwall force measurements and incremental velocity fields calculated via digital image correlation. Comparison of the energy budget preceding and following the development of the first thrust pair quantifies the tradeoff of work done in distributed deformation and work expended in frictional slip due to the development of the first backthrust and forethrust. In both the numerical and physical experiments, after the pair develops internal work decreases at the expense of frictional work, which increases. Despite the increase in frictional work, the total external work of the system decreases, revealing that accretion faulting leads to gains in efficiency. Comparison of the energy budget of the accretion experiments and simulations with the strong and weak detachments indicate that when the detachment is strong, the total energy consumed in frictional sliding and internal deformation is larger than when the detachment is relatively weak.

Force fields and scoring functions for carbohydrate simulation.

PubMed

Xiong, Xiuming; Chen, Zhaoqiang; Cossins, Benjamin P; Xu, Zhijian; Shao, Qiang; Ding, Kai; Zhu, Weiliang; Shi, Jiye

2015-01-12

Carbohydrate dynamics plays a vital role in many biological processes, but we are not currently able to probe this with experimental approaches. The highly flexible nature of carbohydrate structures differs in many aspects from other biomolecules, posing significant challenges for studies employing computational simulation. Over past decades, computational study of carbohydrates has been focused on the development of structure prediction methods, force field optimization, molecular dynamics simulation, and scoring functions for carbohydrate-protein interactions. Advances in carbohydrate force fields and scoring functions can be largely attributed to enhanced computational algorithms, application of quantum mechanics, and the increasing number of experimental structures determined by X-ray and NMR techniques. The conformational analysis of carbohydrates is challengeable and has gone into intensive study in elucidating the anomeric, the exo-anomeric, and the gauche effects. Here, we review the issues associated with carbohydrate force fields and scoring functions, which will have a broad application in the field of carbohydrate-based drug design. Copyright © 2014 Elsevier Ltd. All rights reserved.

Negative differential mobility and trapping in active matter systems

NASA Astrophysics Data System (ADS)

Reichhardt, C.; Reichhardt, C. J. O.

2018-01-01

Using simulations, we examine the average velocity as a function of applied drift force for active matter particles moving through a random obstacle array. We find that for low drift force, there is an initial flow regime where the mobility increases linearly with drive, while for higher drift forces a regime of negative differential mobility appears in which the velocity decreases with increasing drive due to the trapping of active particles behind obstacles. A fully clogged regime exists at very high drift forces when all the particles are permanently trapped behind obstacles. We find for increasing activity that the overall mobility is nonmonotonic, with an enhancement of the mobility for small levels of activity and a decrease in mobility for large activity levels. We show how these effects evolve as a function of disk and obstacle density, active run length, drift force, and motor force.

Radiative Forcing Due to Enhancements in Tropospheric Ozone and Carbonaceous Aerosols Caused by Asian Fires During Spring 2008

NASA Technical Reports Server (NTRS)

Natarajan, Murali; Pierce, R. Bradley; Lenzen, Allen J.; Al-Saadi, Jassim A.; Soja, Amber J.; Charlock, Thomas P.; Rose, Fred G.; Winker, David M.; Worden, John R.

2012-01-01

Simulations of tropospheric ozone and carbonaceous aerosol distributions, conducted with the Real-time Air Quality Modeling System (RAQMS), are used to study the effects of major outbreaks of fires that occurred in three regions of Asia, namely Thailand, Kazakhstan, and Siberia, during spring 2008. RAQMS is a global scale meteorological and chemical modeling system. Results from these simulations, averaged over April 2008, indicate that tropospheric ozone column increases by more than 10 Dobson units (DU) near the Thailand region, and by lesser amounts in the other regions due to the fires. Widespread increases in the optical depths of organic and black carbon aerosols are also noted. We have used an off-line radiative transfer model to evaluate the direct radiative forcing due to the fire-induced changes in atmospheric composition. For clear sky, the monthly averaged radiative forcing at the top of the atmosphere (TOA) is mostly negative with peak values less than -12 W/sq m occurring near the fire regions. The negative forcing represents the increased outgoing shortwave radiation caused by scattering due to carbonaceous aerosols. At high latitudes, the radiative forcing is positive due to the presence of absorbing aerosols over regions of high surface albedo. Regions of positive forcing at TOA are more pronounced under total sky conditions. The monthly averaged radiative forcing at the surface is mostly negative, and peak values of less than -30 W/sq m occur near the fire regions. Persistently large negative forcing at the surface could alter the surface energy budget and potentially weaken the hydrological cycle.

Distinct findings from the steady-state analysis of a microbial model with time-invariant or seasonal driving forces

NASA Astrophysics Data System (ADS)

Wang, G.; Mayes, M. A.

2017-12-01

Microbially-explicit soil organic matter (SOM) decomposition models are thought to be more biologically realistic than conventional models. Current testing or evaluation of microbial models majorly uses steady-state analysis with time-invariant forces (i.e., soil temperature, moisture and litter input). The findings from such simplified analyses are assumed to be capable of representing the model responses in field soil conditions with seasonal driving forces. Here we show that the steady-state modeling results with seasonal forces may result in distinct findings from the simulations with time-invariant forcing data. We evaluate the response of soil organic C (SOC) to litter addition (L+) in a subtropical pine forest using the calibrated Microbial-ENzyme Decomposition (MEND) model. We implemented two sets of modeling analyses, with each set including two scenarios, i.e., control (CR) vs. litter-addition (L+). The first set (Set1) uses fixed soil temperature and moisture, and constant litter input under Scenario CR vs. increased constant litter input under Scenario L+. The second set (Set2) employs hourly soil temperature and moisture and monthly litter input under Scenario CR. Under Scenario L+ of Set2, A logistic function with an upper plateau represents the increasing trend of litter input to SOM. We conduct long-term simulations to ensure that the models reach steady-states for Set1 or dynamic equilibrium for Set2. Litter addition of Set2 causes an increase of SOC by 29%. However, the steady-state SOC pool sizes of Set1 would not respond to L+ as long as the chemical composition of litter remained the same. Our results indicate the necessity to implement dynamic model simulations with seasonal forcing data, which could lead to modeling results qualitatively different from the steady-state analysis with time-invariant forcing data.

Irrigation as an Historical Climate Forcing

NASA Technical Reports Server (NTRS)

Cook, Benjamin I.; Shukla, Sonali P.; Puma, Michael J.; Nazarenko, Larissa S.

2014-01-01

Irrigation is the single largest anthropogenic water use, a modification of the land surface that significantly affects surface energy budgets, the water cycle, and climate. Irrigation, however, is typically not included in standard historical general circulation model (GCM) simulations along with other anthropogenic and natural forcings. To investigate the importance of irrigation as an anthropogenic climate forcing, we conduct two 5-member ensemble GCM experiments. Both are setup identical to the historical forced (anthropogenic plus natural) scenario used in version 5 of the Coupled Model Intercomparison Project, but in one experiment we also add water to the land surface using a dataset of historically estimated irrigation rates. Irrigation has a negligible effect on the global average radiative balance at the top of the atmosphere, but causes significant cooling of global average surface air temperatures over land and dampens regional warming trends. This cooling is regionally focused and is especially strong in Western North America, the Mediterranean, the Middle East, and Asia. Irrigation enhances cloud cover and precipitation in these same regions, except for summer in parts of Monsoon Asia, where irrigation causes a reduction in monsoon season precipitation. Irrigation cools the surface, reducing upward fluxes of longwave radiation (increasing net longwave), and increases cloud cover, enhancing shortwave reflection (reducing net shortwave). The relative magnitude of these two processes causes regional increases (northern India) or decreases (Central Asia, China) in energy availability at the surface and top of the atmosphere. Despite these changes in net radiation, however, climate responses are due primarily to larger magnitude shifts in the Bowen ratio from sensible to latent heating. Irrigation impacts on temperature, precipitation, and other climate variables are regionally significant, even while other anthropogenic forcings (anthropogenic aerosols, greenhouse gases, etc.) dominate the long term climate evolution in the simulations. To better constrain the magnitude and uncertainties of irrigation-forced climate anomalies, irrigation should therefore be considered as another important anthropogenic climate forcing in the next generation of historical climate simulations and multimodel assessments.

Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Xian-Ming; Zhang, Yongfeng; Tonks, Michael R.

2015-02-01

Strong thermal gradients in low-thermal-conductivity ceramics may drive extended defects, such as grain boundaries and voids, to migrate in preferential directions. In this work, molecular dynamics simulations are conducted to study thermal gradient driven grain boundary migration and to verify a previously proposed thermal gradient driving force equation, using uranium dioxide as a model system. It is found that a thermal gradient drives grain boundaries to migrate up the gradient and the migration velocity increases under a constant gradient owing to the increase in mobility with temperature. Different grain boundaries migrate at very different rates due to their different intrinsicmore » mobilities. The extracted mobilities from the thermal gradient driven simulations are compared with those calculated from two other well-established methods and good agreement between the three different methods is found, demonstrating that the theoretical equation of the thermal gradient driving force is valid, although a correction of one input parameter should be made. The discrepancy in the grain boundary mobilities between modeling and experiments is also discussed.« less

Excess thermodynamics of mixtures involving xenon and light linear alkanes by computer simulation.

PubMed

Carvalho, A J Palace; Ramalho, J P Prates; Martins, Luís F G

2007-06-14

Excess molar enthalpies and excess molar volumes as a function of composition for liquid mixtures of xenon + ethane (at 161.40 K), xenon + propane (at 161.40 K) and xenon + n-butane (at 182.34 K) have been obtained by Monte Carlo computer simulations and compared with available experimental data. Simulation conditions were chosen to closely match those of the corresponding experimental results. The TraPPE-UA force field was selected among other force fields to model all the alkanes studied, whereas the one-center Lennard-Jones potential from Bohn et al. was used for xenon. The calculated H(m)(E) and V(m)(E) for all systems are negative, increasing in magnitude as the alkane chain length increases. The results for these systems were compared with experimental data and with other theoretical calculations using the SAFT approach. An excellent agreement between simulation and experimental results was found for xenon + ethane system, whereas for the remaining two systems, some deviations that become progressively more significant as the alkane chain length increases were observed.

Finite Element Simulations of Micro Turning of Ti-6Al-4V using PCD and Coated Carbide tools

NASA Astrophysics Data System (ADS)

Jagadesh, Thangavel; Samuel, G. L.

2017-02-01

The demand for manufacturing axi-symmetric Ti-6Al-4V implants is increasing in biomedical applications and it involves micro turning process. To understand the micro turning process, in this work, a 3D finite element model has been developed for predicting the tool chip interface temperature, cutting, thrust and axial forces. Strain gradient effect has been included in the Johnson-Cook material model to represent the flow stress of the work material. To verify the simulation results, experiments have been conducted at four different feed rates and at three different cutting speeds. Since titanium alloy has low Young's modulus, spring back effect is predominant for higher edge radius coated carbide tool which leads to the increase in the forces. Whereas, polycrystalline diamond (PCD) tool has smaller edge radius that leads to lesser forces and decrease in tool chip interface temperature due to high thermal conductivity. Tool chip interface temperature increases by increasing the cutting speed, however the increase is less for PCD tool as compared to the coated carbide tool. When uncut chip thickness decreases, there is an increase in specific cutting energy due to material strengthening effects. Surface roughness is higher for coated carbide tool due to ploughing effect when compared with PCD tool. The average prediction error of finite element model for cutting and thrust forces are 11.45 and 14.87 % respectively.

Sideways wall force produced during tokamak disruptions

NASA Astrophysics Data System (ADS)

Strauss, H.; Paccagnella, R.; Breslau, J.; Sugiyama, L.; Jardin, S.

2013-07-01

A critical issue for ITER is to evaluate the forces produced on the surrounding conducting structures during plasma disruptions. We calculate the non-axisymmetric ‘sideways’ wall force Fx, produced in disruptions. Simulations were carried out of disruptions produced by destabilization of n = 1 modes by a vertical displacement event (VDE). The force depends strongly on γτwall, where γ is the mode growth rate and τwall is the wall penetration time, and is largest for γτwall = constant, which depends on initial conditions. Simulations of disruptions caused by a model of massive gas injection were also performed. It was found that the wall force increases approximately offset linearly with the displacement from the magnetic axis produced by a VDE. These results are also obtained with an analytical model. Disruptions are accompanied by toroidal variation of the plasma current Iφ. This is caused by toroidal variation of the halo current, as verified computationally and analytically.

Technique for forcing high Reynolds number isotropic turbulence in physical space

NASA Astrophysics Data System (ADS)

Palmore, John A.; Desjardins, Olivier

2018-03-01

Many common engineering problems involve the study of turbulence interaction with other physical processes. For many such physical processes, solutions are expressed most naturally in physical space, necessitating the use of physical space solutions. For simulating isotropic turbulence in physical space, linear forcing is a commonly used strategy because it produces realistic turbulence in an easy-to-implement formulation. However, the method resolves a smaller range of scales on the same mesh than spectral forcing. We propose an alternative approach for turbulence forcing in physical space that uses the low-pass filtered velocity field as the basis of the forcing term. This method is shown to double the range of scales captured by linear forcing while maintaining the flexibility and low computational cost of the original method. This translates to a 60% increase of the Taylor microscale Reynolds number on the same mesh. An extension is made to scalar mixing wherein a scalar field is forced to have an arbitrarily chosen, constant variance. Filtered linear forcing of the scalar field allows for control over the length scale of scalar injection, which could be important when simulating scalar mixing.

The role of internal variability in prolonging the California drought

NASA Astrophysics Data System (ADS)

Buenning, N. H.; Stott, L. D.

2015-12-01

The current drought in California has been one of the driest on record. Using atmospheric general circulation models (AGCMs), recent studies have demonstrated that the low precipitation anomalies observed during the first three winters of the current drought are mostly attributable to changes in sea surface temperature (SST) and sea ice forcing. Here we show through AGCM simulations that the fourth and latest winter of the current drought is not attributable to SST and sea ice forcing, but instead a consequence of higher internal variability. Using the Global Spectral Model (GSM) we demonstrate how the surface forcing reproduces dry conditions over California for the first three winters of the current drought, similar to what other models produced. However, when forced with the SST and sea ice conditions for the winter of 2014-2015, GSM robustly simulates high precipitation conditions over California. This significantly differs with observed precipitation anomalies, which suggests a model deficiency or large influence of internal variability within the climate system during the winter of 2014-2015. Ensemble simulations with 234 realizations reveal that the surface forcing created a broader range of precipitation possibilities over California. Thus, the surface forcing caused a greater degree of internal variations, which was driven by a reduced latitudinal temperature gradient and amplified planetary waves over the Pacific. Similar amplified waves are also seen in 21st century climate projections of upper-level geopotential heights, suggesting that 21st century precipitation over California will become more variable and increasingly difficult to predict on seasonal timescales. When an El Nino pattern is applied to the surface forcing the precipitation further increases and the variance amongst model realizations is reduced, which indicates a strong likelihood of an anomalously wet 2015-2016 winter season.

Effect of mechanical load on the shuttling operation of molecular muscles

NASA Astrophysics Data System (ADS)

Lee, Seungjun; Lu, Wei

2009-06-01

We use molecular dynamics simulations to investigate the effect of mechanical force on stimulus-induced deformation of rotaxane-based artificial molecular muscles. The study shows that a small external force slows down the shuttling motion and leads to longer actuation time for a muscle to reach its full extension. Further increase in the force can significantly reduce the traveling distance of the ring, leading to reduced strain output. A force larger than 28 pN can completely suppress the shuttling motion, suggesting a limit of force output of molecular muscles.

Small nanoparticles, surface geometry and contact forces.

PubMed

Takato, Yoichi; Benson, Michael E; Sen, Surajit

2018-03-01

In this molecular dynamics study, we examine the local surface geometric effects of the normal impact force between two approximately spherical nanoparticles that collide in a vacuum. Three types of surface geometries-(i) crystal facets, (ii) sharp edges, and (iii) amorphous surfaces of small nanoparticles with radii R <10 nm-are considered. The impact forces are compared with their macroscopic counterparts described by nonlinear contact forces based on Hertz contact mechanics. In our simulations, edge and amorphous surface contacts with weak surface energy reveal that the average impact forces are in excellent agreement with the Hertz contact force. On the other hand, facet collisions show a linearly increasing force with increasing compression. Our results suggest that the nearly spherical nanoparticles are likely to enable some nonlinear dynamic phenomena, such as breathers and solitary waves observed in granular materials, both originating from the nonlinear contact force.

How does implant distribution affect 3D correction and bone-screw forces in thoracic adolescent idiopathic scoliosis spinal instrumentation?

PubMed

Le Navéaux, Franck; Larson, A Noelle; Labelle, Hubert; Wang, Xiaoyu; Aubin, Carl-Éric

2016-11-01

Optimal implant densities and configurations for thoracic spine instrumentation to treat adolescent idiopathic scoliosis remain unknown. The objective was to computationally assess the biomechanical effects of implant distribution on 3D curve correction and bone-implant forces. 3D patient-specific biomechanical spine models based on a multibody dynamic approach were created for 9 Lenke 1 patients who underwent posterior instrumentation (main thoracic Cobb: 43°-70°). For each case, a factorial design of experiments was used to generate 128 virtual implant configurations representative of existing implant patterns used in clinical practice. All instances except implant configuration were the same for each surgical scenario simulation. Simulation of the 128 implant configurations scenarios (mean implant density=1.32, range: 0.73-2) revealed differences of 2° to 10° in Cobb angle correction, 2° to 7° in thoracic kyphosis and 2° to 7° in apical vertebral rotation. The use of more implants, at the concave side only, was associated with higher Cobb angle correction (r=-0.41 to -0.90). Increased implant density was associated with higher apical vertebral rotation correction for seven cases (r=-0.20 to -0.48). It was also associated with higher bone-screw forces (r=0.22 to 0.64), with an average difference between the least and most constrained instrumentation constructs of 107N per implant at the end of simulated instrumentation. Low-density constructs, with implants mainly placed on the concave side, resulted in similar simulated curve correction as the higher-density patterns. Increasing the number of implants allows for only limited improvement of 3D correction and overconstrains the instrumentation construct, resulting in increased forces on the implants. Copyright © 2016 Elsevier Ltd. All rights reserved.

Tsunami Simulators in Physical Modelling - Concept to Practical Solutions

NASA Astrophysics Data System (ADS)

Chandler, Ian; Allsop, William; Robinson, David; Rossetto, Tiziana; McGovern, David; Todd, David

2017-04-01

Whilst many researchers have conducted simple 'tsunami impact' studies, few engineering tools are available to assess the onshore impacts of tsunami, with no agreed methods available to predict loadings on coastal defences, buildings or related infrastructure. Most previous impact studies have relied upon unrealistic waveforms (solitary or dam-break waves and bores) rather than full-duration tsunami waves, or have used simplified models of nearshore and over-land flows. Over the last 10+ years, pneumatic Tsunami Simulators for the hydraulic laboratory have been developed into an exciting and versatile technology, allowing the forces of real-world tsunami to be reproduced and measured in a laboratory environment for the first time. These devices have been used to model generic elevated and N-wave tsunamis up to and over simple shorelines, and at example coastal defences and infrastructure. They have also reproduced full-duration tsunamis including Mercator 2004 and Tohoku 2011, both at 1:50 scale. Engineering scale models of these tsunamis have measured wave run-up on simple slopes, forces on idealised sea defences, pressures / forces on buildings, and scour at idealised buildings. This presentation will describe how these Tsunami Simulators work, demonstrate how they have generated tsunami waves longer than the facilities within which they operate, and will present research results from three generations of Tsunami Simulators. Highlights of direct importance to natural hazard modellers and coastal engineers include measurements of wave run-up levels, forces on single and multiple buildings and comparison with previous theoretical predictions. Multiple buildings have two malign effects. The density of buildings to flow area (blockage ratio) increases water depths and flow velocities in the 'streets'. But the increased building densities themselves also increase the cost of flow per unit area (both personal and monetary). The most recent study with the Tsunami Simulators therefore focussed on the influence of multiple buildings (up to 4 rows) which showed (for instance) that the greatest forces can act on the landward (not seaward) rows of buildings. Studies in the 70m long, 4m wide main channel of the Fast Flow Facility on tsunami defence structures have also measured forces on buildings in the lee of a failed defence wall and tsunami induced scour. Supporting presentations at this conference: McGovern et al on tsunami induced scour at coastal structures and Foster et al on building loads.

Multi-Model Simulations of Aerosol and Ozone Radiative Forcing Due to Anthropogenic Emission Changes During the Period 1990-2015

NASA Technical Reports Server (NTRS)

Myhre, Gunnar; Aas, Wenche; Ribu, Cherian; Collins, William; Faluvegi, Gregory S.; Flanner, Mark; Forster, Piers; Hodnebrog, Oivind; Klimont, Zbigniew; Lund, Marianne T.

2017-01-01

Over the past few decades, the geographical distribution of emissions of substances that alter the atmospheric energy balance has changed due to economic growth and air pollution regulations. Here, we show the resulting changes to aerosol and ozone abundances and their radiative forcing using recently updated emission data for the period 1990-2015, as simulated by seven global atmospheric composition models. The models broadly reproduce large-scale changes in surface aerosol and ozone based on observations (e.g. 1 to 3 percent per year in aerosols over the USA and Europe). The global mean radiative forcing due to ozone and aerosol changes over the 1990-2015 period increased by 0.17 plus or minus 0.08 watts per square meter, with approximately one-third due to ozone. This increase is more strongly positive than that reported in IPCC AR5 (Intergovernmental Panel on Climate Change Fifth Assessment Report). The main reasons for the increased positive radiative forcing of aerosols over this period are the substantial reduction of global mean SO2 emissions, which is stronger in the new emission inventory compared to that used in the IPCC analysis, and higher black carbon emissions.

Precipitation Response to Regional Radiative Forcing

NASA Technical Reports Server (NTRS)

Shindell, D. T.; Voulgarakis, A.; Faluvegi, G.; Milly, G.

2012-01-01

Precipitation shifts can have large impacts on human society and ecosystems. Many aspects of how inhomogeneous radiative forcings influence precipitation remain unclear, however. Here we investigate regional precipitation responses to various forcings imposed in different latitude bands in a climate model. We find that several regions show strong, significant responses to most forcings, but that the magnitude and even the sign depends upon the forcing location and type. Aerosol and ozone forcings typically induce larger responses than equivalent carbon dioxide (CO2) forcing, and the influence of remote forcings often outweighs that of local forcings. Consistent with this, ozone and especially aerosols contribute greatly to precipitation changes over the Sahel and South and East Asia in historical simulations, and inclusion of aerosols greatly increases the agreement with observed trends in these areas, which cannot be attributed to either greenhouse gases or natural forcings. Estimates of precipitation responses derived from multiplying our Regional Precipitation Potentials (RPP; the response per unit forcing relationships) by historical forcings typically capture the actual response in full transient climate simulations fairly well, suggesting that these relationships may provide useful metrics. The strong sensitivity to aerosol and ozone forcing suggests that although some air quality improvements may unmask greenhouse gas-induced warming, they have large benefits for reducing regional disruption of the hydrologic cycle.

[Population development and economic growth. A simulation analysis for Switzerland].

PubMed

Schmidt, C; Straubhaar, T

1996-01-01

"A simulation exercise of a general equilibrium model for Switzerland makes clear that the macroeconomic impacts of aging populations are not very strong. There is no need for urgent policy actions to avoid severe negative economic consequences....However, the aging of population affects negatively the net income of the active labor force. An increasing share of their gross salaries goes to the retirement system to finance the pension payments of a growing number of pensioners. Attempts to moderate the elderly dependency ratio would lower this burden for the active labor force. Options are an increase of the female participation rate, an increase of the labor participation rate of the elderly--[which] also means a higher retirement age--and an increasing flow of immigrants. But socioeconomic problems might probably generate practical limits on the extent to which immigration can be increased." (SUMMARY IN ENG AND FRE) excerpt

Cloud Coverage Enhancement and Nocturnal Drizzle Suppression in Stratocumulus by Aerosols

NASA Technical Reports Server (NTRS)

Ackerman, Andrew S.; Toon, Owen B.; Stevens, David E.; Coakley, James A., Jr.; Gore, Warren J. (Technical Monitor)

2002-01-01

Recent satellite observations of ship tracks surprisingly indicate that cloud water decreases with increasing droplet concentrations. However, we find by analyzing detailed simulations of stratocumulus that the reported trend is likely an artifact of sampling, only overcast clouds. The simulations instead show cloud coverage increasing with droplet concentrations, accounting for 25% of cloud albedo increase at moderate droplet concentrations. Our simulations also show that increases in cloud water from drizzle suppression (by increasing droplet concentrations) are favored only at night or at extremely low droplet concentrations, suggesting that the indirect aerosol forcing is overestimated in climate change projections by many general circulation models.

Paleoclimate diagnostics: consistent large-scale temperature responses in warm and cold climates

NASA Astrophysics Data System (ADS)

Izumi, Kenji; Bartlein, Patrick; Harrison, Sandy

2015-04-01

The CMIP5 model simulations of the large-scale temperature responses to increased raditative forcing include enhanced land-ocean contrast, stronger response at higher latitudes than in the tropics, and differential responses in warm and cool season climates to uniform forcing. Here we show that these patterns are also characteristic of CMIP5 model simulations of past climates. The differences in the responses over land as opposed to over the ocean, between high and low latitudes, and between summer and winter are remarkably consistent (proportional and nearly linear) across simulations of both cold and warm climates. Similar patterns also appear in historical observations and paleoclimatic reconstructions, implying that such responses are characteristic features of the climate system and not simple model artifacts, thereby increasing our confidence in the ability of climate models to correctly simulate different climatic states. We also show the possibility that a small set of common mechanisms control these large-scale responses of the climate system across multiple states.

Sensitivity of Historical Simulation of the Permafrost to Different Atmospheric Forcing Data Sets from 1979 to 2009

NASA Astrophysics Data System (ADS)

Guo, Donglin; Wang, Huijun; Wang, Aihui

2017-11-01

Numerical simulation is of great importance to the investigation of changes in frozen ground on large spatial and long temporal scales. Previous studies have focused on the impacts of improvements in the model for the simulation of frozen ground. Here the sensitivities of permafrost simulation to different atmospheric forcing data sets are examined using the Community Land Model, version 4.5 (CLM4.5), in combination with three sets of newly developed and reanalysis-based atmospheric forcing data sets (NOAA Climate Forecast System Reanalysis (CFSR), European Centre for Medium-Range Weather Forecasts Re-Analysis Interim (ERA-I), and NASA Modern Era Retrospective-Analysis for Research and Applications (MERRA)). All three simulations were run from 1979 to 2009 at a resolution of 0.5° × 0.5° and validated with what is considered to be the best available permafrost observations (soil temperature, active layer thickness, and permafrost extent). Results show that the use of reanalysis-based atmospheric forcing data set reproduces the variations in soil temperature and active layer thickness but produces evident biases in their climatologies. Overall, the simulations based on the CFSR and ERA-I data sets give more reasonable results than the simulation based on the MERRA data set, particularly for the present-day permafrost extent and the change in active layer thickness. The three simulations produce ranges for the present-day climatology (permafrost area: 11.31-13.57 × 106 km2; active layer thickness: 1.10-1.26 m) and for recent changes (permafrost area: -5.8% to -9.0%; active layer thickness: 9.9%-20.2%). The differences in air temperature increase, snow depth, and permafrost thermal conditions in these simulations contribute to the differences in simulated results.

The effect of power-law body forces on a thermally driven flow between concentric rotating spheres

NASA Technical Reports Server (NTRS)

Macaraeg, M. G.

1986-01-01

A numerical study is conducted to determine the effect of power-law body forces on a thermally-driven axisymmetric flow field confined between concentric co-rotating spheres. This study is motivated by Spacelab geophysical fluid-flow experiments, which use an electrostatic force on a dielectric fluid to simulate gravity; this force exhibits a (1/r)sup 5 distribution. Meridional velocity is found to increase when the electrostatic body force is imposed, relative to when the body force is uniform. Correlation among flow fields with uniform, inverse-square, and inverse-quintic force fields is obtained using a modified Grashof number.

The effect of power law body forces on a thermally-driven flow between concentric rotating spheres

NASA Technical Reports Server (NTRS)

Macaraeg, M. G.

1985-01-01

A numerical study is conducted to determine the effect of power-law body forces on a thermally-driven axisymmetric flow field confined between concentric co-rotating spheres. This study is motivated by Spacelab geophysical fluid-flow experiments, which use an electrostatic force on a dielectric fluid to simulate gravity; this force exhibits a (1/r)sup 5 distribution. Meridional velocity is found to increase when the electrostatic body force is imposed, relative to when the body force is uniform. Correlation among flow fields with uniform, inverse-square, and inverse-quintic force fields is obtained using a modified Grashof number.

Modeling the mechanics of cells in the cell-spreading process driven by traction forces

NASA Astrophysics Data System (ADS)

Fang, Yuqiang; Lai, King W. C.

2016-04-01

Mechanical properties of cells and their mechanical interaction with the extracellular environments are main factors influencing cellular function, thus indicating the progression of cells in different disease states. By considering the mechanical interactions between cell adhesion molecules and the extracellular environment, we developed a cell mechanical model that can characterize the mechanical changes in cells during cell spreading. A cell model was established that consisted of various main subcellular components, including cortical cytoskeleton, nuclear envelope, actin filaments, intermediate filaments, and microtubules. We demonstrated the structural changes in subcellular components and the changes in spreading areas during cell spreading driven by traction forces. The simulation of nanoindentation tests was conducted by integrating the indenting force to the cell model. The force-indentation curve of the cells at different spreading states was simulated, and the results showed that cell stiffness increased with increasing traction forces, which were consistent with the experimental results. The proposed cell mechanical model provides a strategy to investigate the mechanical interactions of cells with the extracellular environments through the adhesion molecules and to reveal the cell mechanical properties at the subcellular level as cells shift from the suspended state to the adherent state.

Force-induced rupture of double-stranded DNA in the absence and presence of covalently bonded anti-tumor drugs: Insights from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Upadhyaya, Anurag; Nath, Shesh; Kumar, Sanjay

2018-06-01

DNA intra-strand cross-link (ICL) agents are widely used in the treatment of cancer. ICLs are thought to form a link between the same strand (intra-strand) or complimentary strand (inter-strand) and thereby increase the stability of DNA, which forbids the processes like replication and transcription. As a result, cell death occurs. In this work, we have studied the enhanced stability of a double stranded DNA in the presence of ICLs and compared our findings with the results obtained in the absence of these links. Using atomistic simulations with explicit solvent, a force is applied along and perpendicular to the direction of the helix and we measured the rupture force and the unzipping force of DNA-ICL complexes. Our results show that the rupture and the unzipping forces increase significantly in the presence of these links. The ICLs bind to the minor groove of DNA, which enhance the DNA stabilisation. Such information may be used to design alternative drugs that can stall replication and transcription that are critical to a growing number of anticancer drug discovery efforts.

Muscle function in glenohumeral joint stability during lifting task.

PubMed

Blache, Yoann; Begon, Mickaël; Michaud, Benjamin; Desmoulins, Landry; Allard, Paul; Dal Maso, Fabien

2017-01-01

Ensuring glenohumeral stability during repetitive lifting tasks is a key factor to reduce the risk of shoulder injuries. Nevertheless, the literature reveals some lack concerning the assessment of the muscles that ensure glenohumeral stability during specific lifting tasks. Therefore, the purpose of this study was to assess the stabilization function of shoulder muscles during a lifting task. Kinematics and muscle electromyograms (n = 9) were recorded from 13 healthy adults during a bi-manual lifting task performed from the hip to the shoulder level. A generic upper-limb OpenSim model was implemented to simulate glenohumeral stability and instability by performing static optimizations with and without glenohumeral stability constraints. This procedure enabled to compute the level of shoulder muscle activity and forces in the two conditions. Without the stability constraint, the simulated movement was unstable during 74%±16% of the time. The force of the supraspinatus was significantly increased of 107% (p<0.002) when the glenohumeral stability constraint was implemented. The increased supraspinatus force led to greater compressive force (p<0.001) and smaller shear force (p<0.001), which contributed to improved glenohumeral stability. It was concluded that the supraspinatus may be the main contributor to glenohumeral stability during lifting task.

Muscle function in glenohumeral joint stability during lifting task

PubMed Central

Begon, Mickaël; Michaud, Benjamin; Desmoulins, Landry; Allard, Paul

2017-01-01

Ensuring glenohumeral stability during repetitive lifting tasks is a key factor to reduce the risk of shoulder injuries. Nevertheless, the literature reveals some lack concerning the assessment of the muscles that ensure glenohumeral stability during specific lifting tasks. Therefore, the purpose of this study was to assess the stabilization function of shoulder muscles during a lifting task. Kinematics and muscle electromyograms (n = 9) were recorded from 13 healthy adults during a bi-manual lifting task performed from the hip to the shoulder level. A generic upper-limb OpenSim model was implemented to simulate glenohumeral stability and instability by performing static optimizations with and without glenohumeral stability constraints. This procedure enabled to compute the level of shoulder muscle activity and forces in the two conditions. Without the stability constraint, the simulated movement was unstable during 74%±16% of the time. The force of the supraspinatus was significantly increased of 107% (p<0.002) when the glenohumeral stability constraint was implemented. The increased supraspinatus force led to greater compressive force (p<0.001) and smaller shear force (p<0.001), which contributed to improved glenohumeral stability. It was concluded that the supraspinatus may be the main contributor to glenohumeral stability during lifting task. PMID:29244838

Modeling the mechanics of cells in the cell-spreading process driven by traction forces.

PubMed

Fang, Yuqiang; Lai, King W C

2016-04-01

Mechanical properties of cells and their mechanical interaction with the extracellular environments are main factors influencing cellular function, thus indicating the progression of cells in different disease states. By considering the mechanical interactions between cell adhesion molecules and the extracellular environment, we developed a cell mechanical model that can characterize the mechanical changes in cells during cell spreading. A cell model was established that consisted of various main subcellular components, including cortical cytoskeleton, nuclear envelope, actin filaments, intermediate filaments, and microtubules. We demonstrated the structural changes in subcellular components and the changes in spreading areas during cell spreading driven by traction forces. The simulation of nanoindentation tests was conducted by integrating the indenting force to the cell model. The force-indentation curve of the cells at different spreading states was simulated, and the results showed that cell stiffness increased with increasing traction forces, which were consistent with the experimental results. The proposed cell mechanical model provides a strategy to investigate the mechanical interactions of cells with the extracellular environments through the adhesion molecules and to reveal the cell mechanical properties at the subcellular level as cells shift from the suspended state to the adherent state.

The Role of African Dust in Atlantic Climate During Heinrich Events

NASA Astrophysics Data System (ADS)

Murphy, L. N.; Goes, M.; Clement, A. C.

2017-11-01

Increased ice discharge in the North Atlantic is thought to cause a weakening, or collapse, of the Atlantic meridional overturning circulation (AMOC) during Heinrich events. Paleoclimate records indicate that these periods were marked by severe tropical aridity and dustiness. Although the driver of these events is still under debate, large freshwater input is necessary for climate models to simulate the magnitude, geographical extent, and abruptness of these events, indicating that they may be missing feedbacks. We hypothesize that the dust-climate feedback is one such feedback that has not been previously considered. Here we analyze the role of dust-climate feedbacks on the AMOC by parameterizing the dust radiative effects in an intermediate complexity model and consider uncertainties due to wind stress forcing and the magnitude of both atmospheric dust loading and freshwater hosing. We simulate both stable and unstable AMOC regimes by changing the prescribed wind stress forcing. In the unstable regime, additional dust loading during Heinrich events cools and freshens the North Atlantic and abruptly reduces the AMOC by 20% relative to a control simulation. In the stable regime, however, additional dust forcing alone does not alter the AMOC strength. Including both freshwater and dust forcing results in a cooling of the subtropical North Atlantic more comparable to proxy records than with freshwater forcing alone. We conclude that dust-climate feedbacks may provide amplification to Heinrich cooling by further weakening AMOC and increasing North Atlantic sea ice coverage.

Sop-GPU: accelerating biomolecular simulations in the centisecond timescale using graphics processors.

PubMed

Zhmurov, A; Dima, R I; Kholodov, Y; Barsegov, V

2010-11-01

Theoretical exploration of fundamental biological processes involving the forced unraveling of multimeric proteins, the sliding motion in protein fibers and the mechanical deformation of biomolecular assemblies under physiological force loads is challenging even for distributed computing systems. Using a C(α)-based coarse-grained self organized polymer (SOP) model, we implemented the Langevin simulations of proteins on graphics processing units (SOP-GPU program). We assessed the computational performance of an end-to-end application of the program, where all the steps of the algorithm are running on a GPU, by profiling the simulation time and memory usage for a number of test systems. The ∼90-fold computational speedup on a GPU, compared with an optimized central processing unit program, enabled us to follow the dynamics in the centisecond timescale, and to obtain the force-extension profiles using experimental pulling speeds (v(f) = 1-10 μm/s) employed in atomic force microscopy and in optical tweezers-based dynamic force spectroscopy. We found that the mechanical molecular response critically depends on the conditions of force application and that the kinetics and pathways for unfolding change drastically even upon a modest 10-fold increase in v(f). This implies that, to resolve accurately the free energy landscape and to relate the results of single-molecule experiments in vitro and in silico, molecular simulations should be carried out under the experimentally relevant force loads. This can be accomplished in reasonable wall-clock time for biomolecules of size as large as 10(5) residues using the SOP-GPU package. © 2010 Wiley-Liss, Inc.

Wind Forced Variability in Eddy Formation, Eddy Shedding, and the Separation of the East Australian Current

NASA Astrophysics Data System (ADS)

Bull, Christopher Y. S.; Kiss, Andrew E.; Jourdain, Nicolas C.; England, Matthew H.; van Sebille, Erik

2017-12-01

The East Australian Current (EAC), like many other subtropical western boundary currents, is believed to be penetrating further poleward in recent decades. Previous observational and model studies have used steady state dynamics to relate changes in the westerly winds to changes in the separation behavior of the EAC. As yet, little work has been undertaken on the impact of forcing variability on the EAC and Tasman Sea circulation. Here using an eddy-permitting regional ocean model, we present a suite of simulations forced by the same time-mean fields, but with different atmospheric and remote ocean variability. These eddy-permitting results demonstrate the nonlinear response of the EAC to variable, nonstationary inhomogeneous forcing. These simulations show an EAC with high intrinsic variability and stochastic eddy shedding. We show that wind stress variability on time scales shorter than 56 days leads to increases in eddy shedding rates and southward eddy propagation, producing an increased transport and southward reach of the mean EAC extension. We adopt an energetics framework that shows the EAC extension changes to be coincident with an increase in offshore, upstream eddy variance (via increased barotropic instability) and increase in subsurface mean kinetic energy along the length of the EAC. The response of EAC separation to regional variable wind stress has important implications for both past and future climate change studies.

Evaluation of the effect of different stretching patterns on force decay and tensile properties of elastomeric ligatures

PubMed Central

Aminian, Amin; Nakhaei, Samaneh; Agahi, Raha Habib; Rezaeizade, Masoud; Aliabadi, Hamed Mirzazadeh; Heidarpour, Majid

2015-01-01

Background: There have been numerous researches on elastomeric ligatures, but clinical conditions in different stages of treatment are not exactly similar to laboratory conditions. The aim of this in vitro study was to simulate clinical conditions and evaluate the effect of three stretching patterns on the amount of force, tensile strength (TS) and extension to TS of the elastomers during 8 weeks. Materials and Methods: Forces, TS and extension to TS of two different brands of elastomers were measured at initial, 24 h and 2, 4, and 8-week intervals using a testing machine. During the study period, the elastomers were stored in three different types of jig (uniform stretching, 1 and 3 mm point stretching) designed by the computer-aided design and computer-aided manufacturing technique in order to simulate the different stages of orthodontic treatment. Results: The elastomeric ligatures under study exhibited a similar force decay pattern. The maximum force decay occurred during the first 24 h (49.9% ± 15%) and the amount of force decay was 75.7% ± 8% after 8 weeks. In general, the TS decreased during the study period, and the amount of extension to TS increased. Conclusion: Although the elastic behavior of all ligatures under study was similar, the amount of residual force, TS and extension to TS increased in elastomers under point stretching pattern. PMID:26759597

Evaluation of the effect of different stretching patterns on force decay and tensile properties of elastomeric ligatures.

PubMed

Aminian, Amin; Nakhaei, Samaneh; Agahi, Raha Habib; Rezaeizade, Masoud; Aliabadi, Hamed Mirzazadeh; Heidarpour, Majid

2015-01-01

There have been numerous researches on elastomeric ligatures, but clinical conditions in different stages of treatment are not exactly similar to laboratory conditions. The aim of this in vitro study was to simulate clinical conditions and evaluate the effect of three stretching patterns on the amount of force, tensile strength (TS) and extension to TS of the elastomers during 8 weeks. Forces, TS and extension to TS of two different brands of elastomers were measured at initial, 24 h and 2, 4, and 8-week intervals using a testing machine. During the study period, the elastomers were stored in three different types of jig (uniform stretching, 1 and 3 mm point stretching) designed by the computer-aided design and computer-aided manufacturing technique in order to simulate the different stages of orthodontic treatment. The elastomeric ligatures under study exhibited a similar force decay pattern. The maximum force decay occurred during the first 24 h (49.9% ± 15%) and the amount of force decay was 75.7% ± 8% after 8 weeks. In general, the TS decreased during the study period, and the amount of extension to TS increased. Although the elastic behavior of all ligatures under study was similar, the amount of residual force, TS and extension to TS increased in elastomers under point stretching pattern.

Random myosin loss along thick-filaments increases myosin attachment time and the proportion of bound myosin heads to mitigate force decline in skeletal muscle

PubMed Central

Tanner, Bertrand C.W.; McNabb, Mark; Palmer, Bradley M.; Toth, Michael J.; Miller, Mark S.

2014-01-01

Diminished skeletal muscle performance with aging, disuse, and disease may be partially attributed to the loss of myofilament proteins. Several laboratories have found a disproportionate loss of myosin protein content relative to other myofilament proteins, but due to methodological limitations, the structural manifestation of this protein loss is unknown. To investigate how variations in myosin content affect ensemble cross-bridge behavior and force production we simulated muscle contraction in the half-sarcomere as myosin was removed either i) uniformly, from the Z-line end of thick-filaments, or ii) randomly, along the length of thick-filaments. Uniform myosin removal decreased force production, showing a slightly steeper force-to-myosin content relationship than the 1:1 relationship that would be expected from the loss of cross-bridges. Random myosin removal also decreased force production, but this decrease was less than observed with uniform myosin loss, largely due to increased myosin attachment time (ton) and fractional cross-bridge binding with random myosin loss. These findings support our prior observations that prolonged ton may augment force production in single fibers with randomly reduced myosin content from chronic heart failure patients. These simulation also illustrate that the pattern of myosin loss along thick-filaments influences ensemble cross-bridge behavior and maintenance of force throughout the sarcomere. PMID:24486373

Two-dimensional simulation of red blood cell motion near a wall under a lateral force

NASA Astrophysics Data System (ADS)

Hariprasad, Daniel S.; Secomb, Timothy W.

2014-11-01

The motion of a red blood cell suspended in a linear shear flow adjacent to a fixed boundary subject to an applied lateral force directed toward the boundary is simulated. A two-dimensional model is used that represents the viscous and elastic properties of normal red blood cells. Shear rates in the range of 100 to 600 s-1 are considered, and the suspending medium viscosity is 1 cP. In the absence of a lateral force, the cell executes a tumbling motion. With increasing lateral force, a transition from tumbling to tank-treading is predicted. The minimum force required to ensure tank-treading increases nonlinearly with the shear rate. Transient swinging motions occur when the force is slightly larger than the transition value. The applied lateral force is balanced by a hydrodynamic lift force resulting from the positive orientation of the long axis of the cell with respect to the wall. In the case of cyclic tumbling motions, the orientation angle takes positive values through most of the cycle, resulting in lift generation. These results are used to predict the motion of a cell close to the outer edge of the cell-rich core region that is generated when blood flows in a narrow tube. In this case, the lateral force is generated by shear-induced dispersion, resulting from cell-cell interactions in a region with a concentration gradient. This force is estimated using previous data on shear-induced dispersion. The cell is predicted to execute tank-treading motions at normal physiological hematocrit levels, with the possibility of tumbling at lower hematocrit levels.

Mechanical Network in Titin Immunoglobulin from Force Distribution Analysis

PubMed Central

Wilmanns, Matthias; Gräter, Frauke

2009-01-01

The role of mechanical force in cellular processes is increasingly revealed by single molecule experiments and simulations of force-induced transitions in proteins. How the applied force propagates within proteins determines their mechanical behavior yet remains largely unknown. We present a new method based on molecular dynamics simulations to disclose the distribution of strain in protein structures, here for the newly determined high-resolution crystal structure of I27, a titin immunoglobulin (IG) domain. We obtain a sparse, spatially connected, and highly anisotropic mechanical network. This allows us to detect load-bearing motifs composed of interstrand hydrogen bonds and hydrophobic core interactions, including parts distal to the site to which force was applied. The role of the force distribution pattern for mechanical stability is tested by in silico unfolding of I27 mutants. We then compare the observed force pattern to the sparse network of coevolved residues found in this family. We find a remarkable overlap, suggesting the force distribution to reflect constraints for the evolutionary design of mechanical resistance in the IG family. The force distribution analysis provides a molecular interpretation of coevolution and opens the road to the study of the mechanism of signal propagation in proteins in general. PMID:19282960

Vibration analysis of large centrifugal pump rotors

NASA Astrophysics Data System (ADS)

Y Zhao, W.; Ge, J. G.; Ma, D.; Li, C. M.; Bao, S. B.

2013-12-01

Through the critical speed of centrifugal pumps, internal flow field and the force of the impeller, we analyze centrifugal pump vibration. Using finite element analysis software ANSYS to calculate the natural frequency of the rotor system and the critical speed; with the help of the Fluent software to simulate pump internal flow field, we conclude that speed increase will not cause intense vibration of the fluid in the pump. Using unsteady numerical simulation we discovered that in an impeller suffering transient radial force cyclical change periodically, as well as the frequency size determined by the product of the impeller speed and number of blades, resonance phenomena should make impeller to transient radial force frequency. If wanting to avoid pump resonance when it is running away, the transient radial force frequency should avoid the frequency range which can cause resonance.

Influence of surface interactions on folding and forced unbinding of semiflexible chains.

PubMed

Barsegov, V; Thirumalai, D

2005-11-24

We have investigated the folding and forced unbinding transitions of adsorbed semiflexible polymer chains using theory and simulations. These processes describe, at an elementary level, a number of biologically relevant phenomena that include adhesive interactions between proteins and tethering of receptors to cell walls. The binding interface is modeled as a solid surface, and the wormlike chain (WLC) is used for the semiflexible chain (SC). Using Langevin simulations, in the overdamped limit we examine the ordering kinetics of racquet-like and toroidal structures in the presence of an attractive interaction between the surface and the polymer chain. For a range of interactions, temperature, and the persistence length, l(p), we obtained the monomer density distribution, n(x), (x is the perpendicular distance of a tagged chain end from the surface) for all of the relevant morphologies. There is a single peak in n(x) inside the range of attractive forces, b, for chains in the extended conformations, whereas in racquet and toroidal structures there is an additional peak at x approximately b. The simulated results for n(x) are in good agreement with theory. The formation of toroids on the surface appears to be a first-order transition as evidenced by the bimodal distribution in n(x). The theoretical result underestimates the simulated n(x) for x < b and follows n(x) closely for x >/= b; the calculated density agrees exactly with n(x) in the range x < b. The chain-surface interaction is probed by subjecting the surface structures to a pulling force, f. The average extension, x( f), as a function of f exhibits a sigmoidal profile with sharp all-or-none transition at the unfolding force threshold f = f(c) which increases for more structured states. Simulated x(f) compare well with the theoretical predictions. The critical force, f(c), is a function of l(s)/l(c) for a fixed temperature, where l(c) and l(s) are the length scales that express the strength of the intramolecular and SC-surface attraction, respectively. For a fixed l(s), f(c) increases as l(p) decreases.

Control of force during rapid visuomotor force-matching tasks can be described by discrete time PID control algorithms.

PubMed

Dideriksen, Jakob Lund; Feeney, Daniel F; Almuklass, Awad M; Enoka, Roger M

2017-08-01

Force trajectories during isometric force-matching tasks involving isometric contractions vary substantially across individuals. In this study, we investigated if this variability can be explained by discrete time proportional, integral, derivative (PID) control algorithms with varying model parameters. To this end, we analyzed the pinch force trajectories of 24 subjects performing two rapid force-matching tasks with visual feedback. Both tasks involved isometric contractions to a target force of 10% maximal voluntary contraction. One task involved a single action (pinch) and the other required a double action (concurrent pinch and wrist extension). 50,000 force trajectories were simulated with a computational neuromuscular model whose input was determined by a PID controller with different PID gains and frequencies at which the controller adjusted muscle commands. The goal was to find the best match between each experimental force trajectory and all simulated trajectories. It was possible to identify one realization of the PID controller that matched the experimental force produced during each task for most subjects (average index of similarity: 0.87 ± 0.12; 1 = perfect similarity). The similarities for both tasks were significantly greater than that would be expected by chance (single action: p = 0.01; double action: p = 0.04). Furthermore, the identified control frequencies in the simulated PID controller with the greatest similarities decreased as task difficulty increased (single action: 4.0 ± 1.8 Hz; double action: 3.1 ± 1.3 Hz). Overall, the results indicate that discrete time PID controllers are realistic models for the neural control of force in rapid force-matching tasks involving isometric contractions.

Climate simulations and projections with a super-parameterized climate model

DOE PAGES

Stan, Cristiana; Xu, Li

2014-07-01

The mean climate and its variability are analyzed in a suite of numerical experiments with a fully coupled general circulation model in which subgrid-scale moist convection is explicitly represented through embedded 2D cloud-system resolving models. Control simulations forced by the present day, fixed atmospheric carbon dioxide concentration are conducted using two horizontal resolutions and validated against observations and reanalyses. The mean state simulated by the higher resolution configuration has smaller biases. Climate variability also shows some sensitivity to resolution but not as uniform as in the case of mean state. The interannual and seasonal variability are better represented in themore » simulation at lower resolution whereas the subseasonal variability is more accurate in the higher resolution simulation. The equilibrium climate sensitivity of the model is estimated from a simulation forced by an abrupt quadrupling of the atmospheric carbon dioxide concentration. The equilibrium climate sensitivity temperature of the model is 2.77 °C, and this value is slightly smaller than the mean value (3.37 °C) of contemporary models using conventional representation of cloud processes. As a result, the climate change simulation forced by the representative concentration pathway 8.5 scenario projects an increase in the frequency of severe droughts over most of the North America.« less

Microsurgical Performance After Sleep Interruption: A NeuroTouch Simulator Study.

PubMed

Micko, Alexander; Knopp, Karoline; Knosp, Engelbert; Wolfsberger, Stefan

2017-10-01

In times of the ubiquitous debate about doctors' working hour restrictions, it is still questionable if the physician's performance is impaired by high work load and long shifts. In this study, we evaluated the impact of sleep interruption on neurosurgical performance. Ten medical students and 10 neurosurgical residents were tested on the virtual-reality simulator NeuroTouch by performing an identical microsurgical task, well rested (baseline test), and after sleep interruption at night (stress test). Deviation of total score, timing, and excessive force on tissue were evaluated. In addition, vital parameters and self-assessment were analyzed. After sleep interruption, total performance score increased significantly (45.1 vs. 48.7, baseline vs. stress test, P = 0.048) while timing remained stable (10.1 vs. 10.4 minutes for baseline vs. stress test, P > 0.05) for both students and residents. Excessive force decreased in both groups during the stress test for the nondominant hand (P = 0.05). For the dominant hand, an increase of excessive force was encountered in the group of residents (P = 0.05). In contrast to their results, participants of both groups assessed their performance worse during the stress test. In our study, we found an increase of neurosurgical simulator performance in neurosurgical residents and medical students under simulated night shift conditions. Further, microsurgical dexterity remained unchanged. Based on our results and the data in the available literature, we cannot confirm that working hour restrictions will have a positive effect on neurosurgical performance. Copyright © 2017 Elsevier Inc. All rights reserved.

Investigation of index finger triggering force using a cadaver experiment: Effects of trigger grip span, contact location, and internal tendon force.

PubMed

Chang, Joonho; Freivalds, Andris; Sharkey, Neil A; Kong, Yong-Ku; Mike Kim, H; Sung, Kiseok; Kim, Dae-Min; Jung, Kihyo

2017-11-01

A cadaver study was conducted to investigate the effects of triggering conditions (trigger grip span, contact location, and internal tendon force) on index finger triggering force and the force efficiency of involved tendons. Eight right human cadaveric hands were employed, and a motion simulator was built to secure and control the specimens. Index finger triggering forces were investigated as a function of different internal tendon forces (flexor digitorum profundus + flexor digitorum superficialis = 40, 70, and 100 N), trigger grip spans (40, 50, and 60 mm), and contact locations between the index finger and a trigger. Triggering forces significantly increased when internal tendon forces increased from 40 to 100 N. Also, trigger grip spans and contact locations had significant effects on triggering forces; maximum triggering forces were found at a 50 mm span and the most proximal contact location. The results revealed that only 10-30% of internal tendon forces were converted to their external triggering forces. Copyright © 2017 Elsevier Ltd. All rights reserved.

Non-monotonic resonance in a spatially forced Lengyel-Epstein model

DOE PAGES

Haim, Lev; Hagberg, Aric; Meron, Ehud

2015-06-02

Here, we study resonant spatially periodic solutions of the Lengyel-Epstein model modified to describe the chlorine dioxide-iodine-malonic acid reaction under spatially periodic illumination. Using multiple-scale analysis and numerical simulations, we obtain the stability ranges of 2:1 resonant solutions, i.e., solutions with wavenumbers that are exactly half of the forcing wavenumber. We show that the width of resonant wavenumber response is a non-monotonic function of the forcing strength, and diminishes to zero at sufficiently strong forcing. Furthermore, we show that strong forcing may result in a π/2 phase shift of the resonant solutions, and argue that the nonequilibrium Ising-Bloch front bifurcationmore » can be reversed. Finally, we attribute these behaviors to an inherent property of forcing by periodic illumination, namely, the increase of the mean spatial illumination as the forcing amplitude is increased.« less

Effect of Tibial Posterior Slope on Knee Kinematics, Quadriceps Force, and Patellofemoral Contact Force After Posterior-Stabilized Total Knee Arthroplasty.

PubMed

Okamoto, Shigetoshi; Mizu-uchi, Hideki; Okazaki, Ken; Hamai, Satoshi; Nakahara, Hiroyuki; Iwamoto, Yukihide

2015-08-01

We used a musculoskeletal model validated with in vivo data to evaluate the effect of tibial posterior slope on knee kinematics, quadriceps force, and patellofemoral contact force after posterior-stabilized total knee arthroplasty. The maximum quadriceps force and patellofemoral contact force decreased with increasing posterior slope. Anterior sliding of the tibial component and anterior impingement of the anterior aspect of the tibial post were observed with tibial posterior slopes of at least 5° and 10°, respectively. Increased tibial posterior slope contributes to improved exercise efficiency during knee extension, however excessive tibial posterior slope should be avoided to prevent knee instability. Based on our computer simulation we recommend tibial posterior slopes of less than 5° in posterior-stabilized total knee arthroplasty. Copyright © 2015 Elsevier Inc. All rights reserved.

Effects of Topography-based Subgrid Structures on Land Surface Modeling

NASA Astrophysics Data System (ADS)

Tesfa, T. K.; Ruby, L.; Brunke, M.; Thornton, P. E.; Zeng, X.; Ghan, S. J.

2017-12-01

Topography has major control on land surface processes through its influence on atmospheric forcing, soil and vegetation properties, network topology and drainage area. Consequently, accurate climate and land surface simulations in mountainous regions cannot be achieved without considering the effects of topographic spatial heterogeneity. To test a computationally less expensive hyper-resolution land surface modeling approach, we developed topography-based landunits within a hierarchical subgrid spatial structure to improve representation of land surface processes in the ACME Land Model (ALM) with minimal increase in computational demand, while improving the ability to capture the spatial heterogeneity of atmospheric forcing and land cover influenced by topography. This study focuses on evaluation of the impacts of the new spatial structures on modeling land surface processes. As a first step, we compare ALM simulations with and without subgrid topography and driven by grid cell mean atmospheric forcing to isolate the impacts of the subgrid topography on the simulated land surface states and fluxes. Recognizing that subgrid topography also has important effects on atmospheric processes that control temperature, radiation, and precipitation, methods are being developed to downscale atmospheric forcings. Hence in the second step, the impacts of the subgrid topographic structure on land surface modeling will be evaluated by including spatial downscaling of the atmospheric forcings. Preliminary results on the atmospheric downscaling and the effects of the new spatial structures on the ALM simulations will be presented.

Mirror force induced wave dispersion in Alfvén waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Damiano, P. A.; Johnson, J. R.

2013-06-15

Recent hybrid MHD-kinetic electron simulations of global scale standing shear Alfvén waves along the Earth's closed dipolar magnetic field lines show that the upward parallel current region within these waves saturates and broadens perpendicular to the ambient magnetic field and that this broadening increases with the electron temperature. Using resistive MHD simulations, with a parallel Ohm's law derived from the linear Knight relation (which expresses the current-voltage relationship along an auroral field line), we explore the nature of this broadening in the context of the increased perpendicular Poynting flux resulting from the increased parallel electric field associated with mirror forcemore » effects. This increased Poynting flux facilitates wave energy dispersion across field lines which in-turn allows for electron acceleration to carry the field aligned current on adjacent field lines. This mirror force driven dispersion can dominate over that associated with electron inertial effects for global scale waves.« less

Aerosol- and greenhouse gas-induced changes in summer rainfall and circulation in the Australasian region: a study using single-forcing climate simulations

NASA Astrophysics Data System (ADS)

Rotstayn, L. D.; Jeffrey, S. J.; Collier, M. A.; Dravitzki, S. M.; Hirst, A. C.; Syktus, J. I.; Wong, K. K.

2012-07-01

We use a coupled atmosphere-ocean global climate model (CSIRO-Mk3.6) to investigate the drivers of trends in summer rainfall and circulation in the vicinity of northern Australia. As part of the Coupled Model Intercomparison Project Phase 5 (CMIP5), we perform a 10-member 21st century ensemble driven by Representative Concentration Pathway 4.5 (RCP4.5). To investigate the roles of different forcing agents, we also perform multiple 10-member ensembles of historical climate change, which are analysed for the period 1951-2010. The historical runs include ensembles driven by "all forcings" (HIST), all forcings except anthropogenic aerosols (NO_AA) and forcing only from long-lived greenhouse gases (GHGAS). Anthropogenic aerosol-induced effects in a warming climate are calculated from the difference of HIST minus NO_AA. CSIRO-Mk3.6 simulates a strong summer rainfall decrease over north-western Australia (NWA) in RCP4.5, whereas simulated trends in HIST are weakly positive (but insignificant) during 1951-2010. The weak rainfall trends in HIST are due to compensating effects of different forcing agents: there is a significant decrease in GHGAS, offset by an aerosol-induced increase. Observations show a significant increase of summer rainfall over NWA during the last few decades. The large magnitude of the observed NWA rainfall trend is not captured by 440 unforced 60-yr trends calculated from a 500-yr pre-industrial control run, even though the model's decadal variability appears to be realistic. This suggests that the observed trend includes a forced component, despite the fact that the model does not simulate the magnitude of the observed rainfall increase in response to "all forcings" (HIST). We investigate the mechanism of simulated and observed NWA rainfall changes by exploring changes in circulation over the Indo-Pacific region. The key circulation feature associated with the rainfall increase in reanalyses is a lower-tropospheric cyclonic circulation trend off the coast of NWA, which enhances the monsoonal flow. The model shows an aerosol-induced cyclonic circulation trend off the coast of NWA in HIST minus NO_AA, whereas GHGAS shows an anticyclonic circulation trend. This explains why the aerosol-induced effect is an increase of rainfall over NWA, and the greenhouse gas-induced effect is of opposite sign. Possible explanations for the cyclonic (anticyclonic) circulation trend in HIST minus NO_AA (GHGAS) involve changes in the Walker circulation or the local Hadley circulation. In either case, a plausible atmospheric mechanism is that the circulation anomaly is a Rossby wave response to convective heating anomalies south of the Equator. We also discuss the possible role of air-sea interactions, e.g. an increase (decrease) of sea-surface temperatures off the coast of NWA in HIST minus NO_AA (GHGAS). Further research is needed to better understand the mechanisms and the extent to which these are model-dependent. In summary, our results suggest that anthropogenic aerosols may have "masked" greenhouse gas-induced changes in rainfall over NWA and in circulation over the wider Indo-Pacific region. Due to the opposing effects of greenhouse gases and anthropogenic aerosols, future trends may be very different from trends observed over the last few decades.

Variation in predicting pantograph-catenary interaction contact forces, numerical simulations and field measurements

NASA Astrophysics Data System (ADS)

Nåvik, Petter; Rønnquist, Anders; Stichel, Sebastian

2017-09-01

The contact force between the pantograph and the contact wire ensures energy transfer between the two. Too small of a force leads to arching and unstable energy transfer, while too large of a force leads to unnecessary wear on both parts. Thus, obtaining the correct contact force is important for both field measurements and estimates using numerical analysis. The field contact force time series is derived from measurements performed by a self-propelled diagnostic vehicle containing overhead line recording equipment. The measurements are not sampled at the actual contact surface of the interaction but by force transducers beneath the collector strips. Methods exist for obtaining more realistic measurements by adding inertia and aerodynamic effects to the measurements. The variation in predicting the pantograph-catenary interaction contact force is studied in this paper by evaluating the effect of the force sampling location and the effects of signal processing such as filtering. A numerical model validated by field measurements is used to study these effects. First, this paper shows that the numerical model can reproduce a train passage with high accuracy. Second, this study introduces three different options for contact force predictions from numerical simulations. Third, this paper demonstrates that the standard deviation and the maximum and minimum values of the contact force are sensitive to a low-pass filter. For a specific case, an 80 Hz cut-off frequency is compared to a 20 Hz cut-off frequency, as required by EN 50317:2012; the results show an 11% increase in standard deviation, a 36% increase in the maximum value and a 19% decrease in the minimum value.

Experimental and simulation studies of hard contact in force reflecting teleoperation

NASA Technical Reports Server (NTRS)

Hannaford, Blake; Anderson, Robert

1988-01-01

Experiments and simulations of a single-axis force-reflecting teleoperation system have been conducted to investigate the problem of contacting a hard environment and maintaining a controlled force in teleoperation in which position is fed forward from the hand controller (master) to the manipulator (slave), and force is fed back to the human operator through motors in the master. The simulations, using an electrical circuit model, reproduce the behavior of the real system, including effects of human operator biomechanics. It is shown that human operator properties, which vary as a result of different types of grasp of the handle, affect the stability of the system in the hard-contact task. The effect of a heavier grasp on the handle is equivalent to increased hand-controller velocity damping in terms of the systems stability in the contact task, but control system damping sufficient to guarantee stable contact results in perceptible sluggishness of the control handle's response in free motion. These results suggest that human operator biomechanics must be taken into account to guarantee stable and ergonomic performance of advanced teleoperators.

Locomotion in simulated microgravity: gravity replacement loads

NASA Technical Reports Server (NTRS)

McCrory, Jean L.; Baron, Heidi A.; Balkin, Sandy; Cavanagh, Peter R.

2002-01-01

BACKGROUND: When an astronaut walks or runs on a treadmill in microgravity, a subject load device (SLD) is used to return him or her back to the treadmill belt. The gravity replacement load (GRL) in the SLD is transferred, via a harness, to the pelvis and/or the shoulders. This research compared comfort and ground reaction forces during treadmill running in a microgravity locomotion simulator at GRLs of 60%, 80%, and 100% of body weight (BW). Two harness designs (shoulder springs only (SSO) and waist and shoulder springs (WSS)) were used. HYPOTHESES: 1) The 100% BW gravity replacement load conditions would be comfortably tolerated and would result in larger ground reaction forces and loading rates than the lower load conditions, and 2) the WSS harness would be more comfortable than the SSO harness. METHODS: Using the Penn State Zero Gravity Locomotion Simulator (ZLS), 8 subjects ran at 2.0 m x s(-1) (4.5 mph) for 3 min at each GRL setting in each harness. Subjective ratings of harness comfort, ground reaction forces, and GRL data were collected during the final minute of exercise. RESULTS: The 100% BW loading conditions were comfortably tolerated (2.3 on a scale of 0-10), although discomfort increased as the GRL increased. There were no overall differences in perceived comfort between the two harnesses. The loading rates (27.1, 33.8, 39.1 BW x s(-1)) and the magnitudes of the first (1.0, 1.4, 1.6 BW) and second (1.3, 1.7, 1.9 BW) peaks of the ground reaction force increased with increasing levels (60, 80, 100% BW respectively) of GRL. CONCLUSIONS: Subjects were able to tolerate a GRL of 100% BW well. The magnitude of the ground reaction force peaks and the loading rate is directly related to the magnitude of the GRL.

Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data

PubMed Central

Lange, Oliver F.; van der Spoel, David; de Groot, Bert L.

2010-01-01

Abstract Protein dynamics on the atomic level and on the microsecond timescale has recently become accessible from both computation and experiment. To validate molecular dynamics (MD) at the submicrosecond timescale against experiment we present microsecond MD simulations in 10 different force-field configurations for two globular proteins, ubiquitin and the gb3 domain of protein G, for which extensive NMR data is available. We find that the reproduction of the measured NMR data strongly depends on the chosen force field and electrostatics treatment. Generally, particle-mesh Ewald outperforms cut-off and reaction-field approaches. A comparison to measured J-couplings across hydrogen bonds suggests that there is room for improvement in the force-field description of hydrogen bonds in most modern force fields. Our results show that with current force fields, simulations beyond hundreds of nanoseconds run an increased risk of undergoing transitions to nonnative conformational states or will persist within states of high free energy for too long, thus skewing the obtained population frequencies. Only for the AMBER99sb force field have such transitions not been observed. Thus, our results have significance for the interpretation of data obtained with long MD simulations, for the selection of force fields for MD studies and for force-field development. We hope that this comprehensive benchmark based on NMR data applied to many popular MD force fields will serve as a useful resource to the MD community. Finally, we find that for gb3, the force-field AMBER99sb reaches comparable accuracy in back-calculated residual dipolar couplings and J-couplings across hydrogen bonds to ensembles obtained by refinement against NMR data. PMID:20643085

Beating of grafted chains induced by active Brownian particles

NASA Astrophysics Data System (ADS)

Yang, Qiu-song; Fan, Qing-wei; Shen, Zhuang-lin; Xia, Yi-qi; Tian, Wen-de; Chen, Kang

2018-06-01

We study the interplay between active Brownian particles (ABPs) and a "hairy" surface in two-dimensional geometry. We find that the increase of propelling force leads to and enhances inhomogeneous accumulation of ABPs inside the brush region. Oscillation of chain bundles (beating like cilia) is found in company with the formation and disassembly of a dynamic cluster of ABPs at large propelling forces. Meanwhile chains are stretched and pushed down due to the effective shear force by ABPs. The decrease of the average brush thickness with propelling force reflects the growth of the beating amplitude of chain bundles. Furthermore, the beating phenomenon is investigated in a simple single-chain system. We find that the chain swings regularly with a major oscillatory period, which increases with chain length and decreases with the increase of propelling force. We build a theory to describe the phenomenon and the predictions on the relationship between the period and amplitude for various chain lengths, and propelling forces agree very well with simulation data.

CLARREO shortwave observing system simulation experiments of the twenty-first century: Simulator design and implementation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feldman, D.R.; Algieri, C.A.; Ong, J.R.

2011-04-01

Projected changes in the Earth system will likely be manifested in changes in reflected solar radiation. This paper introduces an operational Observational System Simulation Experiment (OSSE) to calculate the signals of future climate forcings and feedbacks in top-of-atmosphere reflectance spectra. The OSSE combines simulations from the Intergovernmental Panel on Climate Change (IPCC) Fourth Assessment Report for the NCAR Community Climate System Model (CCSM) with the MODTRAN radiative transfer code to calculate reflectance spectra for simulations of current and future climatic conditions over the 21st century. The OSSE produces narrowband reflectances and broadband fluxes, the latter of which have been extensivelymore » validated against archived CCSM results. The shortwave reflectance spectra contain atmospheric features including signals from water vapor, liquid and ice clouds, and aerosols. The spectra are also strongly influenced by the surface bidirectional reflectance properties of predicted snow and sea ice and the climatological seasonal cycles of vegetation. By comparing and contrasting simulated reflectance spectra based on emissions scenarios with increasing projected and fixed present-day greenhouse gas and aerosol concentrations, we find that prescribed forcings from increases in anthropogenic sulfate and carbonaceous aerosols are detectable and are spatially confined to lower latitudes. Also, changes in the intertropical convergence zone and poleward shifts in the subsidence zones and the storm tracks are all detectable along with large changes in snow cover and sea ice fraction. These findings suggest that the proposed NASA Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission to measure shortwave reflectance spectra may help elucidate climate forcings, responses, and feedbacks.« less

Close encounters with DNA

PubMed Central

Maffeo, C.; Yoo, J.; Comer, J.; Wells, D. B.; Luan, B.; Aksimentiev, A.

2014-01-01

Over the past ten years, the all-atom molecular dynamics method has grown in the scale of both systems and processes amenable to it and in its ability to make quantitative predictions about the behavior of experimental systems. The field of computational DNA research is no exception, witnessing a dramatic increase in the size of systems simulated with atomic resolution, the duration of individual simulations and the realism of the simulation outcomes. In this topical review, we describe the hallmark physical properties of DNA from the perspective of all-atom simulations. We demonstrate the amazing ability of such simulations to reveal the microscopic physical origins of experimentally observed phenomena and we review the frustrating limitations associated with imperfections of present atomic force fields and inadequate sampling. The review is focused on the following four physical properties of DNA: effective electric charge, response to an external mechanical force, interaction with other DNA molecules and behavior in an external electric field. PMID:25238560

Close encounters with DNA.

PubMed

Maffeo, C; Yoo, J; Comer, J; Wells, D B; Luan, B; Aksimentiev, A

2014-10-15

Over the past ten years, the all-atom molecular dynamics method has grown in the scale of both systems and processes amenable to it and in its ability to make quantitative predictions about the behavior of experimental systems. The field of computational DNA research is no exception, witnessing a dramatic increase in the size of systems simulated with atomic resolution, the duration of individual simulations and the realism of the simulation outcomes. In this topical review, we describe the hallmark physical properties of DNA from the perspective of all-atom simulations. We demonstrate the amazing ability of such simulations to reveal the microscopic physical origins of experimentally observed phenomena. We also discuss the frustrating limitations associated with imperfections of present atomic force fields and inadequate sampling. The review is focused on the following four physical properties of DNA: effective electric charge, response to an external mechanical force, interaction with other DNA molecules and behavior in an external electric field.

Evaluation of preindustrial to present-day black carbon and its albedo forcing from Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

NASA Technical Reports Server (NTRS)

Lee, Y. H.; Lamarque, J.-F.; Flanner, M. G.; Jiao, C.; Shindell, D. T.; Bernsten, T.; Bisiaux, M. M.; Cao, J.; Collins, W. J.; Curran, M.;

Sensitivity of Hydrologic Extremes to Spatial Resolution of Meteorological Forcings: A Case Study of the Conterminous United States

NASA Astrophysics Data System (ADS)

Kao, S. C.; Naz, B. S.; Gangrade, S.; Ashfaq, M.; Rastogi, D.

2016-12-01

The magnitude and frequency of hydroclimate extremes are projected to increase in the conterminous United States (CONUS) with significant implications for future water resource planning and flood risk management. Nevertheless, apart from the change of natural environment, the choice of model spatial resolution could also artificially influence the features of simulated extremes. To better understand how the spatial resolution of meteorological forcings may affect hydroclimate projections, we test the runoff sensitivity using the Variable Infiltration Capacity (VIC) model that was calibrated for each CONUS 8-digit hydrologic unit (HUC8) at 1/24° ( 4km) grid resolution. The 1980-2012 gridded Daymet and PRISM meteorological observations are used to conduct the 1/24° resolution control simulation. Comparative simulations are achieved by smoothing the 1/24° forcing into 1/12° and 1/8° resolutions which are then used to drive the VIC model for the CONUS. In addition, we also test how the simulated high and low runoff conditions would react to change in precipitation (±10%) and temperature (+1°C). The results are further analyzed for various types of hydroclimate extremes across different watersheds in the CONUS. This work helps us understand the sensitivity of simulated runoff to different spatial resolutions of climate forcings and also its sensitivity to different watershed sizes and characteristics of extreme events in the future climate conditions.

Changes in temporal variability of precipitation over land due to anthropogenic forcings

DOE PAGES

Konapala, Goutam; Mishra, Ashok; Leung, L. Ruby

2017-02-02

This study investigated the anthropogenic influence on the temporal variability of annual precipitation for the period 1950-2005 as simulated by the CMIP5 models. The temporal variability of both annual precipitation amount (PRCPTOT) and intensity (SDII) was first measured using a metric of statistical dispersion called the Gini coefficient. Comparing simulations driven by both anthropogenic and natural forcings (ALL) with simulations of natural forcings only (NAT), we quantified the anthropogenic contributions to the changes in temporal variability at global, continental and sub-continental scales as a relative difference of the respective Gini coefficients of ALL and NAT. Over the period of 1950-2005,more » our results indicate that anthropogenic forcings have resulted in decreased uniformity (i.e., increase in unevenness or disparity) in annual precipitation amount and intensity at global as well as continental scales. In addition, out of the 21 sub-continental regions considered, 14 (PRCPTOT) and 17 (SDII) regions showed significant anthropogenic influences. The human impacts are generally larger for SDII compared to PRCTOT, indicating that the temporal variability of precipitation intensity is generally more susceptible to anthropogenic influence than precipitation amount. Lastly, the results highlight that anthropogenic activities have changed not only the trends but also the temporal variability of annual precipitation, which underscores the need to develop effective adaptation management practices to address the increased disparity.« less

Sensitivity of modeled estuarine circulation to spatial and temporal resolution of input meteorological forcing of a cold frontal passage

NASA Astrophysics Data System (ADS)

Weaver, Robert J.; Taeb, Peyman; Lazarus, Steven; Splitt, Michael; Holman, Bryan P.; Colvin, Jeffrey

2016-12-01

In this study, a four member ensemble of meteorological forcing is generated using the Weather Research and Forecasting (WRF) model in order to simulate a frontal passage event that impacted the Indian River Lagoon (IRL) during March 2015. The WRF model is run to provide high and low, spatial (0.005° and 0.1°) and temporal (30 min and 6 h) input wind and pressure fields. The four member ensemble is used to force the Advanced Circulation model (ADCIRC) coupled with Simulating Waves Nearshore (SWAN) and compute the hydrodynamic and wave response. Results indicate that increasing the spatial resolution of the meteorological forcing has a greater impact on the results than increasing the temporal resolution in coastal systems like the IRL where the length scales are smaller than the resolution of the operational meteorological model being used to generate the forecast. Changes in predicted water elevations are due in part to the upwind and downwind behavior of the input wind forcing. The significant wave height is more sensitive to the meteorological forcing, exhibited by greater ensemble spread throughout the simulation. It is important that the land mask, seen by the meteorological model, is representative of the geography of the coastal estuary as resolved by the hydrodynamic model. As long as the temporal resolution of the wind field captures the bulk characteristics of the frontal passage, computational resources should be focused so as to ensure that the meteorological model resolves the spatial complexities, such as the land-water interface, that drive the land use responsible for dynamic downscaling of the winds.

The role of ecosystem-atmosphere interactions in simulated Amazonian precipitation decrease and forest dieback under global climate warming

NASA Astrophysics Data System (ADS)

Betts, R. A.; Cox, P. M.; Collins, M.; Harris, P. P.; Huntingford, C.; Jones, C. D.

A suite of simulations with the HadCM3LC coupled climate-carbon cycle model is used to examine the various forcings and feedbacks involved in the simulated precipitation decrease and forest dieback. Rising atmospheric CO2 is found to contribute 20% to the precipitation reduction through the physiological forcing of stomatal closure, with 80% of the reduction being seen when stomatal closure was excluded and only radiative forcing by CO2 was included. The forest dieback exerts two positive feedbacks on the precipitation reduction; a biogeophysical feedback through reduced forest cover suppressing local evaporative water recycling, and a biogeochemical feedback through the release of CO2 contributing to an accelerated global warming. The precipitation reduction is enhanced by 20% by the biogeophysical feedback, and 5% by the carbon cycle feedback from the forest dieback. This analysis helps to explain why the Amazonian precipitation reduction simulated by HadCM3LC is more extreme than that simulated in other GCMs; in the fully-coupled, climate-carbon cycle simulation, approximately half of the precipitation reduction in Amazonia is attributable to a combination of physiological forcing and biogeophysical and global carbon cycle feedbacks, which are generally not included in other GCM simulations of future climate change. The analysis also demonstrates the potential contribution of regional-scale climate and ecosystem change to uncertainties in global CO2 and climate change projections. Moreover, the importance of feedbacks suggests that a human-induced increase in forest vulnerability to climate change may have implications for regional and global scale climate sensitivity.

Three-dimensional touch interface for medical education.

PubMed

Panchaphongsaphak, Bundit; Burgkart, Rainer; Riener, Robert

2007-05-01

We present the technical principle and evaluation of a multimodal virtual reality (VR) system for medical education, called a touch simulator. This touch simulator comes with an innovative three-dimensional (3-D) touch sensitive input device. The device comprises a six-axis force-torque sensor connected to a tangible object representing the shape of an anatomical structure. Information related to the point of contact is recorded by the sensor, processed, and audiovisually displayed. The touch simulator provides a high level of user-friendliness and fidelity compared to other purely graphically oriented simulation environments. In this paper, the touch simulator has been realized as an interactive neuroanatomical training simulator. The user can visualize and manipulate graphical information of the brain surface or different cross-sectional slices by a finger-touch on a brain-like shaped tangible object. We evaluated the system by theoretical derivations, experiments, and subjective questionnaires. In the theoretical analysis, we could show that the contact point estimation error mainly depends on the accuracy and the noise of the sensor, the amount and direction of the applied force, and the geometry of the tangible object. The theoretical results could be validated by experiments: applying a normal force of 10 N on a 120 mm x 120 mm x 120 mm cube causes a maximum error of 2.5 +/- 0.7 mm. This error becomes smaller when increasing the contact force. Based on the survey results, the touch simulator may be a useful tool for assisting medical schools in the visualization of brain image data and the study of neuroanatomy.

Computer-generated forces in distributed interactive simulation

NASA Astrophysics Data System (ADS)

Petty, Mikel D.

1995-04-01

Distributed Interactive Simulation (DIS) is an architecture for building large-scale simulation models from a set of independent simulator nodes communicating via a common network protocol. DIS is most often used to create a simulated battlefield for military training. Computer Generated Forces (CGF) systems control large numbers of autonomous battlefield entities in a DIS simulation using computer equipment and software rather than humans in simulators. CGF entities serve as both enemy forces and supplemental friendly forces in a DIS exercise. Research into various aspects of CGF systems is ongoing. Several CGF systems have been implemented.

Construction and control of a physiological articulatory model

NASA Astrophysics Data System (ADS)

Dang, Jianwu; Honda, Kiyoshi

2004-02-01

A physiological articulatory model has been constructed using a fast computation method, which replicates midsagittal regions of the speech organs to simulate articulatory movements during speech. This study aims to improve the accuracy of modeling by using the displacement-based finite-element method and to develop a new approach for controlling the model. A ``semicontinuum'' tongue tissue model was realized by a discrete truss structure with continuum viscoelastic cylinders. Contractile effects of the muscles were systemically examined based on model simulations. The results indicated that each muscle drives the tongue toward an equilibrium position (EP) corresponding to the magnitude of the activation forces. The EPs shifted monotonically as the activation force increased. The monotonic shift revealed a unique and invariant mapping, referred to as an EP map, between a spatial position of the articulators and the muscle forces. This study proposes a control method for the articulatory model based on the EP maps, in which co-contractions of agonist and antagonist muscles are taken into account. By utilizing the co-contraction, the tongue tip and tongue dorsum can be controlled to reach their targets independently. Model simulation showed that the co-contraction of agonist and antagonist muscles could increase the stability of a system in dynamic control.

Wind Turbine Wakes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kelley, Christopher Lee; Maniaci, David Charles; Resor, Brian R.

2015-10-01

The total energy produced by a wind farm depends on the complex interaction of many wind turbines operating in proximity with the turbulent atmosphere. Sometimes, the unsteady forces associated with wind negatively influence power production, causing damage and increasing the cost of producing energy associated with wind power. Wakes and the motion of air generated by rotating blades need to be better understood. Predicting wakes and other wind forces could lead to more effective wind turbine designs and farm layouts, thereby reducing the cost of energy, allowing the United States to increase the installed capacity of wind energy. The Windmore » Energy Technologies Department at Sandia has collaborated with the University of Minnesota to simulate the interaction of multiple wind turbines. By combining the validated, large-eddy simulation code with Sandia’s HPC capability, this consortium has improved its ability to predict unsteady forces and the electrical power generated by an array of wind turbines. The array of wind turbines simulated were specifically those at the Sandia Scaled Wind Farm Testbed (SWiFT) site which aided the design of new wind turbine blades being manufactured as part of the National Rotor Testbed project with the Department of Energy.« less

Performance evaluation of a dental handpiece in simulation of clinical finishing using a novel 2DOF in vitro apparatus.

PubMed

Yin, L; Song, X F; Qu, S F; Huang, T; Mei, J P; Yang, Z Y; Li, J

2006-11-01

This paper reports on the performance evaluation of a dental handpiece in simulation of clinical finishing using a novel two-degrees-of-freedom (2DOF) in vitro apparatus. The instrumented apparatus consisted of a two-dimensional computer-controlled coordinate worktable carrying a dental handpiece, a piezoelectric force dynamometer, and a high-speed data acquisition and signal conditioning system for simulating the clinical operations and monitoring the dental finishing processes. The performance of the dental handpiece was experimentally evaluated with respect to rotational speed, torque, and specific finishing energy under the applied clinical finishing conditions. The results show that the rotational speeds of the dental handpiece decreased by increasing either the depth of cut or the feed rate at a constant clinically applied air pressure and water flowrate. They also decreased when increasing both the tangential and normal finishing forces. The specific finishing energy decreased with an increase in either depth of cut or feed rate, while the finishing torque increased as either the depth of cut or the feed rate was increased. Implications of these results were to provide guidance for proper applications of dental handpieces in clinical practice.

The influence of tip shape on bending force during needle insertion

PubMed Central

van de Berg, Nick J.; de Jong, Tonke L.; van Gerwen, Dennis J.; Dankelman, Jenny; van den Dobbelsteen, John J.

2017-01-01

Steering of needles involves the planning and timely modifying of instrument-tissue force interactions to allow for controlled deflections during the insertion in tissue. In this work, the effect of tip shape on these forces was studied using 10 mm diameter needle tips. Six different tips were selected, including beveled and conical versions, with or without pre-bend or pre-curve. A six-degree-of-freedom force/torque sensor measured the loads during indentations in tissue simulants. The increased insertion (axial) and bending (radial) forces with insertion depth — the force-displacement slopes — were analyzed. Results showed that the ratio between radial and axial forces was not always proportional. This means that the tip load does not have a constant orientation, as is often assumed in mechanics-based steering models. For all tip types, the tip-load assumed a more radial orientation with increased axial load. This effect was larger for straight tips than for pre-bent or pre-curved tips. In addition, the force-displacement slopes were consistently higher for (1) increased tip angles, and for (2) beveled tips compared to conical tips. Needles with a bent or curved tip allow for an increased bending force and a decreased variability of the tip load vector orientation. PMID:28074939

Impact of preindustrial to present-day changes in short-lived pollutant emissions on atmospheric composition and climate forcing

NASA Astrophysics Data System (ADS)

Naik, Vaishali; Horowitz, Larry W.; Fiore, Arlene M.; Ginoux, Paul; Mao, Jingqiu; Aghedo, Adetutu M.; Levy, Hiram

2013-07-01

We describe and evaluate atmospheric chemistry in the newly developed Geophysical Fluid Dynamics Laboratory chemistry-climate model (GFDL AM3) and apply it to investigate the net impact of preindustrial (PI) to present (PD) changes in short-lived pollutant emissions (ozone precursors, sulfur dioxide, and carbonaceous aerosols) and methane concentration on atmospheric composition and climate forcing. The inclusion of online troposphere-stratosphere interactions, gas-aerosol chemistry, and aerosol-cloud interactions (including direct and indirect aerosol radiative effects) in AM3 enables a more complete representation of interactions among short-lived species, and thus their net climate impact, than was considered in previous climate assessments. The base AM3 simulation, driven with observed sea surface temperature (SST) and sea ice cover (SIC) over the period 1981-2007, generally reproduces the observed mean magnitude, spatial distribution, and seasonal cycle of tropospheric ozone and carbon monoxide. The global mean aerosol optical depth in our base simulation is within 5% of satellite measurements over the 1982-2006 time period. We conduct a pair of simulations in which only the short-lived pollutant emissions and methane concentrations are changed from PI (1860) to PD (2000) levels (i.e., SST, SIC, greenhouse gases, and ozone-depleting substances are held at PD levels). From the PI to PD, we find that changes in short-lived pollutant emissions and methane have caused the tropospheric ozone burden to increase by 39% and the global burdens of sulfate, black carbon, and organic carbon to increase by factors of 3, 2.4, and 1.4, respectively. Tropospheric hydroxyl concentration decreases by 7%, showing that increases in OH sinks (methane, carbon monoxide, nonmethane volatile organic compounds, and sulfur dioxide) dominate over sources (ozone and nitrogen oxides) in the model. Combined changes in tropospheric ozone and aerosols cause a net negative top-of-the-atmosphere radiative forcing perturbation (-1.05 W m-2) indicating that the negative forcing (direct plus indirect) from aerosol changes dominates over the positive forcing due to ozone increases, thus masking nearly half of the PI to PD positive forcing from long-lived greenhouse gases globally, consistent with other current generation chemistry-climate models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Hatten, Xavier; Cournia, Zoe; Huc, Ivan

The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferrocene-peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mechanics force field for ferrocene-bearing peptides was developed and implemented in the CHARMM simulation package, thus extending the usefulness of the package into peptide-bioorganometallic chemistry. Using the automated frequency-matching method (AFMM), optimized intramolecular force-field parameters were generated through quantum chemical reference normal modes. The partial charges for ferrocene were derived by fitting point charges to quantum-chemically computed electrostaticmore » potentials. The force field was tested against experimental X-ray crystal structures of dipeptide derivatives of ferrocene-1,1'-dicarboxylic acid. The calculations reproduce accurately the molecular geometries, including the characteristic C{sub 2}-symmetrical intramolecular hydrogen-bonding pattern, that were stable over 0.1 {micro}s MD simulations. The crystal packing properties of ferrocene-1-(D)alanine-(D)proline-1'-(D)alanine-(D)proline were also accurately reproduced. The lattice parameters of this crystal were conserved during a 0.1 {micro}s MD simulation and match the experimental values almost exactly. Simulations of the peptides in dichloromethane are also in good agreement with experimental NMR and circular dichroism (CD) data in solution. The developed force field was used to perform MD simulations on novel, as yet unsynthesized peptide fragments that surround the active site of [Ni-Fe] hydrogenase. The results of this simulation lead us to propose an improved design for synthetic peptide-based hydrogenase models. The presented MD simulation results of metallocenes thereby provide a convincing validation of our proposal to use ferrocene-peptides as minimal enzyme mimics.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Hatten, Xavier; Cournia, Zoe; Smith, Jeremy C

The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferrocene-peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mechanics force field for ferrocene-bearing peptides was developed and implemented in the CHARMM simulation package, thus extending the usefulness of the package into peptide-bioorganometallic chemistry. Using the automated frequency-matching method (AFMM), optimized intramolecular force-field parameters were generated through quantum chemical reference normal modes. The partial charges for ferrocene were derived by fitting point charges to quantum-chemically computed electrostaticmore » potentials. The force field was tested against experimental X-ray crystal structures of dipeptide derivatives of ferrocene-1,1{prime}-dicarboxylic acid. The calculations reproduce accurately the molecular geometries, including the characteristic C2-symmetrical intramolecular hydrogen-bonding pattern, that were stable over 0.1{micro}s MD simulations. The crystal packing properties of ferrocene-1-(D)alanine-(D)proline{prime}-1-(D)alanine-(D)proline were also accurately reproduced. The lattice parameters of this crystal were conserved during a 0.1 s MD simulation and match the experimental values almost exactly. Simulations of the peptides in dichloromethane are also in good agreement with experimental NMR and circular dichroism (CD) data in solution. The developed force field was used to perform MD simulations on novel, as yet unsynthesized peptide fragments that surround the active site of [Ni-Fe] hydrogenase. The results of this simulation lead us to propose an improved design for synthetic peptide-based hydrogenase models. The presented MD simulation results of metallocenes thereby provide a convincing validation of our proposal to use ferrocene-peptides as minimal enzyme mimics.« less

The influence of tyre transient side force properties on vehicle lateral acceleration for a time-varying vertical force

NASA Astrophysics Data System (ADS)

Takahashi, Toshimichi

2018-05-01

The tyre model which formerly developed by the author et al. and describes the tyre transient responses of side force and aligning moment under the time-varying vertical force was implemented to the vehicle dynamics simulation software and the influence of tyre side force transient property on the vehicle behaviour was investigated. The vehicle responses with/without tyre transient property on sinusoidally undulated road surfaces were simulated and compared. It was found that the average lateral acceleration of the vehicle at the sinusoidal steering wheel angle input decreases on the undulated road of long wavelength (3 m) for both cases, but when the wavelength becomes shorter (1 m), the average lateral acceleration increases only in the case that the transient property is considered. The cause of those changes is explained by using the tyre-related variables. Also the steady-state turning behaviour of the vehicle on undulated roads are shown and discussed.

Aerosol forcing of extreme summer drought over North China

NASA Astrophysics Data System (ADS)

Zhang, L.

2017-12-01

The frequency of extreme summer drought has been increasing in North China during the past sixty years, which has caused serious water shortages. It remains unclear whether anthropogenic forcing has contributed to the increasing extreme droughts. Using the National Centers for Environmental Prediction and the National Center for Atmospheric Research (NCEP/NCAR) re-analysis data and Coupled Model Intercomparison Project Phase 5 (CMIP5) model simulations with various combinations of historical forcings, the authors investigated the driving mechanism behind the observed changes. Metrological drought is usually measured by precipitation anomalies, which show lower fidelity in current climate models compared to largescale circulation patterns. Based on NCEP/NCAR re-analysis, a linear relationship is firstly established between the weakest regional average 850 hPa southerly winds and extreme summer drought. This meridional winds index (MWI) is then used as a proxy for attribution of extreme North China drought using CMIP5 outputs. Examination of the CMIP5 simulations reveals that the probability of the extreme summer droughts with the first percentile of MWI for 1850-2004 under anthropogenic forcing has increased by 100%, on average, relative to a pre-industrial control run. The more frequent occurrence of extremely weak MWIs or drought over North China is ascribed from weakened climate and East Asian summer monsoon (EASM) circulation due to the direct cooling effect from increased aerosol.

Theory of nanobubble formation and induced force in nanochannels

NASA Astrophysics Data System (ADS)

Arai, Noriyoshi; Koishi, Takahiro; Ebisuzaki, Toshikazu

2017-10-01

This paper presents a fundamental theory of nanobubble formation and induced force in confined nanochannels. It is shown that nanobubble formation between hydrophobic plates can be predicted from their surface tension and geometry, with estimated values for the surface free energy and the force acting on the plates in good agreement with the results of molecular dynamics simulation and experimentation. When a bubble is formed between two plates, vertical attractive force and horizontal retract force due to the shifted plates are applied to the plates. The net force exerted on the plates is not dependent on the distance between them. The short-range force between hydrophobic surfaces due to hydrophobic interaction appears to correspond to the force estimated by our theory. We compared between experimental and theoretical values for the binding energy of a molecular motor system to validate our theory. The tendency that the binding energy increases as the size of the protein increases is consistent with the theory.

Force and torque modelling of drilling simulation for orthopaedic surgery.

PubMed

MacAvelia, Troy; Ghasempoor, Ahmad; Janabi-Sharifi, Farrokh

2014-01-01

The advent of haptic simulation systems for orthopaedic surgery procedures has provided surgeons with an excellent tool for training and preoperative planning purposes. This is especially true for procedures involving the drilling of bone, which require a great amount of adroitness and experience due to difficulties arising from vibration and drill bit breakage. One of the potential difficulties with the drilling of bone is the lack of consistent material evacuation from the drill's flutes as the material tends to clog. This clogging leads to significant increases in force and torque experienced by the surgeon. Clogging was observed for feed rates greater than 0.5 mm/s and spindle speeds less than 2500 rpm. The drilling simulation systems that have been created to date do not address the issue of drill flute clogging. This paper presents force and torque prediction models that account for this phenomenon. The two coefficients of friction required by these models were determined via a set of calibration experiments. The accuracy of both models was evaluated by an additional set of validation experiments resulting in average R² regression correlation values of 0.9546 and 0.9209 for the force and torque prediction models, respectively. The resulting models can be adopted by haptic simulation systems to provide a more realistic tactile output.

Comparing the model-simulated global warming signal to observations using empirical estimates of unforced noise.

PubMed

Brown, Patrick T; Li, Wenhong; Cordero, Eugene C; Mauget, Steven A

2015-04-21

The comparison of observed global mean surface air temperature (GMT) change to the mean change simulated by climate models has received much public and scientific attention. For a given global warming signal produced by a climate model ensemble, there exists an envelope of GMT values representing the range of possible unforced states of the climate system (the Envelope of Unforced Noise; EUN). Typically, the EUN is derived from climate models themselves, but climate models might not accurately simulate the correct characteristics of unforced GMT variability. Here, we simulate a new, empirical, EUN that is based on instrumental and reconstructed surface temperature records. We compare the forced GMT signal produced by climate models to observations while noting the range of GMT values provided by the empirical EUN. We find that the empirical EUN is wide enough so that the interdecadal variability in the rate of global warming over the 20(th) century does not necessarily require corresponding variability in the rate-of-increase of the forced signal. The empirical EUN also indicates that the reduced GMT warming over the past decade or so is still consistent with a middle emission scenario's forced signal, but is likely inconsistent with the steepest emission scenario's forced signal.

Comparing the model-simulated global warming signal to observations using empirical estimates of unforced noise

PubMed Central

Brown, Patrick T.; Li, Wenhong; Cordero, Eugene C.; Mauget, Steven A.

2015-01-01

The comparison of observed global mean surface air temperature (GMT) change to the mean change simulated by climate models has received much public and scientific attention. For a given global warming signal produced by a climate model ensemble, there exists an envelope of GMT values representing the range of possible unforced states of the climate system (the Envelope of Unforced Noise; EUN). Typically, the EUN is derived from climate models themselves, but climate models might not accurately simulate the correct characteristics of unforced GMT variability. Here, we simulate a new, empirical, EUN that is based on instrumental and reconstructed surface temperature records. We compare the forced GMT signal produced by climate models to observations while noting the range of GMT values provided by the empirical EUN. We find that the empirical EUN is wide enough so that the interdecadal variability in the rate of global warming over the 20th century does not necessarily require corresponding variability in the rate-of-increase of the forced signal. The empirical EUN also indicates that the reduced GMT warming over the past decade or so is still consistent with a middle emission scenario's forced signal, but is likely inconsistent with the steepest emission scenario's forced signal. PMID:25898351

Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules

PubMed Central

2014-01-01

Background Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by precomputing their interaction potentials on three-dimensional discretized grids. For long-range interactions, such as electrostatics, grid-based methods are subject to finite size errors. We describe here the implementation of a Debye-Hückel correction to the grid-based electrostatic potential used in the SDA BD simulation software that was applied to simulate solutions of bovine serum albumin and of hen egg white lysozyme. Results We found that the inclusion of the long-range electrostatic correction increased the accuracy of both the protein-protein interaction profiles and the protein diffusion coefficients at low ionic strength. Conclusions An advantage of this method is the low additional computational cost required to treat long-range electrostatic interactions in large biomacromolecular systems. Moreover, the implementation described here for BD simulations of protein solutions can also be applied in implicit solvent molecular dynamics simulations that make use of gridded interaction potentials. PMID:25045516

Modeling the Progression of Epithelial Leak Caused by Overdistension

PubMed Central

Hamlington, Katharine L.; Ma, Baoshun; Smith, Bradford J.; Bates, Jason H. T.

2016-01-01

Mechanical ventilation is necessary for treatment of the acute respiratory distress syndrome but leads to overdistension of the open regions of the lung and produces further damage. Although we know that the excessive stresses and strains disrupt the alveolar epithelium, we know little about the relationship between epithelial strain and epithelial leak. We have developed a computational model of an epithelial monolayer to simulate leak progression due to overdistension and to explain previous experimental findings in mice with ventilator-induced lung injury. We found a nonlinear threshold-type relationship between leak area and increasing stretch force. After the force required to initiate the leak was reached, the leak area increased at a constant rate with further increases in force. Furthermore, this rate was slower than the rate of increase in force, especially at end-expiration. Parameter manipulation changed only the leak-initiating force; leak area growth followed the same trend once this force was surpassed. These results suggest that there is a particular force (analogous to ventilation tidal volume) that must not be exceeded to avoid damage and that changing cell physical properties adjusts this threshold. This is relevant for the development of new ventilator strategies that avoid inducing further injury to the lung. PMID:26951764

Internal structure of inertial granular flows.

PubMed

Azéma, Emilien; Radjaï, Farhang

2014-02-21

We analyze inertial granular flows and show that, for all values of the inertial number I, the effective friction coefficient μ arises from three different parameters pertaining to the contact network and force transmission: (1) contact anisotropy, (2) force chain anisotropy, and (3) friction mobilization. Our extensive 3D numerical simulations reveal that μ increases with I mainly due to an increasing contact anisotropy and partially by friction mobilization whereas the anisotropy of force chains declines as a result of the destabilizing effect of particle inertia. The contact network undergoes topological transitions, and beyond I≃0.1 the force chains break into clusters immersed in a background "soup" of floating particles. We show that this transition coincides with the divergence of the size of fluidized zones characterized from the local environments of floating particles and a slower increase of μ with I.

Internal Structure of Inertial Granular Flows

NASA Astrophysics Data System (ADS)

Azéma, Emilien; Radjaï, Farhang

2014-02-01

We analyze inertial granular flows and show that, for all values of the inertial number I, the effective friction coefficient μ arises from three different parameters pertaining to the contact network and force transmission: (1) contact anisotropy, (2) force chain anisotropy, and (3) friction mobilization. Our extensive 3D numerical simulations reveal that μ increases with I mainly due to an increasing contact anisotropy and partially by friction mobilization whereas the anisotropy of force chains declines as a result of the destabilizing effect of particle inertia. The contact network undergoes topological transitions, and beyond I≃0.1 the force chains break into clusters immersed in a background "soup" of floating particles. We show that this transition coincides with the divergence of the size of fluidized zones characterized from the local environments of floating particles and a slower increase of μ with I.

Solid Loss of Carrots During Simulated Gastric Digestion.

PubMed

Kong, Fanbin; Singh, R Paul

2011-03-01

The knowledge of solid loss kinetics of foods during digestion is crucial for understanding the factors that constrain the release of nutrients from the food matrix and their fate of digestion. The objective of this study was to investigate the solid loss of carrots during simulated gastric digestion as affected by pH, temperature, viscosity of gastric fluids, mechanical force present in stomach, and cooking. Cylindrical carrot samples were tested by static soaking method and using a model stomach system. The weight retention, moisture, and loss of dry mass were determined. The results indicated that acid hydrolysis is critical for an efficient mass transfer and carrot digestion. Internal resistance rather than external resistance is dominant in the transfer of soluble solids from carrot to gastric fluid. Increase in viscosity of gastric fluid by adding 0.5% gum (w/w) significantly increased the external resistance and decreased mass transfer rate of carrots in static soaking. When mechanical force was not present, 61% of the solids in the raw carrot samples were released into gastric fluid after 4 h of static soaking in simulated gastric juice. Mechanical force significantly increased solid loss by causing surface erosion. Boiling increased the disintegration of carrot during digestion that may favor the loss of solids meanwhile reducing the amount of solids available for loss in gastric juice. Weibull function was successfully used to describe the solid loss of carrot during simulated digestion. The effective diffusion coefficients of solids were calculated using the Fick's second law of diffusion for an infinite cylinder, which are between 0.75 × 10(-11) and 8.72 × 10(-11) m(2)/s, depending on the pH of the gastric fluid.

An ocean large-eddy simulation of Langmuir circulations and convection in the surface mixed layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skyllingstad, E.D.; Denbo, D.W.

Numerical experiments were performed using a three-dimensional large-eddy simulation model of the ocean surface mixed layer that includes the Craik-Leibovich vortex force to parameterize the interaction of surface waves with mean currents. Results from the experiments show that the vortex force generates Langmuir circulations that can dominate vertical mixing. The simulated vertical velocity fields show linear, small-scale, coherent structures near the surface that extend downwind across the model domain. In the interior of the mixed layer, scales of motion increase to eddy sizes that are roughly equivalent to the mixed-layer depth. Cases with the vortex force have stronger circulations nearmore » the surface in contrast to cases with only heat flux and wind stress, particularly when the heat flux is positive. Calculations of the velocity variance and turbulence dissipation rates for cases with and without the vortex force, surface cooling, and wind stress indicate that wave-current interactions are a dominant mixing process in the upper mixed layer. Heat flux calculations show that the entrainment rate at the mixed-layer base can be up to two times greater when the vortex force is included. In a case with reduced wind stress, turbulence dissipation rates remained high near the surface because of the vortex force interaction with preexisting inertial currents. In deep mixed layers ({approximately}250 m) the simulations show that Langmuir circulations can vertically transport water 145 m during conditions of surface heating. Observations of turbulence dissipation rates and the vertical temperature structure support the model results. 42 refs., 20 figs., 21 tabs.« less

Dynamics of cross-bridge cycling, ATP hydrolysis, force generation, and deformation in cardiac muscle

PubMed Central

Tewari, Shivendra G.; Bugenhagen, Scott M.; Palmer, Bradley M.; Beard, Daniel A.

2015-01-01

Despite extensive study over the past six decades the coupling of chemical reaction and mechanical processes in muscle dynamics is not well understood. We lack a theoretical description of how chemical processes (metabolite binding, ATP hydrolysis) influence and are influenced by mechanical processes (deformation and force generation). To address this need, a mathematical model of the muscle cross-bridge (XB) cycle based on Huxley’s sliding filament theory is developed that explicitly accounts for the chemical transformation events and the influence of strain on state transitions. The model is identified based on elastic and viscous moduli data from mouse and rat myocardial strips over a range of perturbation frequencies, and MgATP and inorganic phosphate (Pi) concentrations. Simulations of the identified model reproduce the observed effects of MgATP and MgADP on the rate of force development. Furthermore, simulations reveal that the rate of force re-development measured in slack-restretch experiments is not directly proportional to the rate of XB cycling. For these experiments, the model predicts that the observed increase in the rate of force generation with increased Pi concentration is due to inhibition of cycle turnover by Pi. Finally, the model captures the observed phenomena of force yielding suggesting that it is a result of rapid detachment of stretched attached myosin heads. PMID:25681584

NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates.

PubMed

Zimmermann, Nils E R; Vorselaars, Bart; Espinosa, Jorge R; Quigley, David; Smith, William R; Sanz, Eduardo; Vega, Carlos; Peters, Baron

2018-06-14

This work reexamines seeded simulation results for NaCl nucleation from a supersaturated aqueous solution at 298.15 K and 1 bar pressure. We present a linear regression approach for analyzing seeded simulation data that provides both nucleation rates and uncertainty estimates. Our results show that rates obtained from seeded simulations rely critically on a precise driving force for the model system. The driving force vs. solute concentration curve need not exactly reproduce that of the real system, but it should accurately describe the thermodynamic properties of the model system. We also show that rate estimates depend strongly on the nucleus size metric. We show that the rate estimates systematically increase as more stringent local order parameters are used to count members of a cluster and provide tentative suggestions for appropriate clustering criteria.

Numerical simulation for the magnetic force distribution in electromagnetic forming of small size flat sheet

NASA Astrophysics Data System (ADS)

Chen, Xiaowei; Wang, Wenping; Wan, Min

2013-12-01

It is essential to calculate magnetic force in the process of studying electromagnetic flat sheet forming. Calculating magnetic force is the basis of analyzing the sheet deformation and optimizing technical parameters. Magnetic force distribution on the sheet can be obtained by numerical simulation of electromagnetic field. In contrast to other computing methods, the method of numerical simulation has some significant advantages, such as higher calculation accuracy, easier using and other advantages. In this paper, in order to study of magnetic force distribution on the small size flat sheet in electromagnetic forming when flat round spiral coil, flat rectangular spiral coil and uniform pressure coil are adopted, the 3D finite element models are established by software ANSYS/EMAG. The magnetic force distribution on the sheet are analyzed when the plane geometries of sheet are equal or less than the coil geometries under fixed discharge impulse. The results showed that when the physical dimensions of sheet are less than the corresponding dimensions of the coil, the variation of induced current channel width on the sheet will cause induced current crowding effect that seriously influence the magnetic force distribution, and the degree of inhomogeneity of magnetic force distribution is increase nearly linearly with the variation of induced current channel width; the small size uniform pressure coil will produce approximately uniform magnetic force distribution on the sheet, but the coil is easy to early failure; the desirable magnetic force distribution can be achieved when the unilateral placed flat rectangular spiral coil is adopted, and this program can be take as preferred one, because the longevity of flat rectangular spiral coil is longer than the working life of small size uniform pressure coil.

A teleoperation training simulator with visual and kinesthetic force virtual reality

NASA Technical Reports Server (NTRS)

Kim, Won S.; Schenker, Paul

1992-01-01

A force-reflecting teleoperation training simulator with a high-fidelity real-time graphics display has been developed for operator training. A novel feature of this simulator is that it enables the operator to feel contact forces and torques through a force-reflecting controller during the execution of the simulated peg-in-hole task, providing the operator with the feel of visual and kinesthetic force virtual reality. A peg-in-hole task is used in our simulated teleoperation trainer as a generic teleoperation task. A quasi-static analysis of a two-dimensional peg-in-hole task model has been extended to a three-dimensional model analysis to compute contact forces and torques for a virtual realization of kinesthetic force feedback. The simulator allows the user to specify force reflection gains and stiffness (compliance) values of the manipulator hand for both the three translational and the three rotational axes in Cartesian space. Three viewing modes are provided for graphics display: single view, two split views, and stereoscopic view.

Static response of coated microbubbles compressed between rigid plates: Simulations and asymptotic analysis including elastic and adhesive forces

NASA Astrophysics Data System (ADS)

Lytra, A.; Pelekasis, N.

2018-03-01

The static response of coated microbubbles is investigated with a novel approach employed for modeling contact between a microbubble and the cantilever of an atomic force microscope. Elastic tensions and moments are described via appropriate constitutive laws. The encapsulated gas is assumed to undergo isothermal variations. Due to the hydrophilic nature of the cantilever, an ultrathin aqueous film is formed, which transfers the force onto the shell. An interaction potential describes the local pressure applied on the shell. The problem is solved in axisymmetric form with the finite element method. The response is governed by the dimensionless bending, k^ b=kb/(χ R02 ), pressure, P^ A=(PAR0 )/χ , and interaction potential, W ^ =w0/χ . Hard polymeric shells have negligible resistance to gas compression, while for the softer lipid shells gas compressibility is comparable with shell elasticity. As the external force increases, numerical simulations reveal that the force versus deformation (f vs d) curve of polymeric shells exhibits a transition from the linear O(d) (Reissner) regime, marked by flattened shapes around the contact region, to a non-linear O(d1/2) (Pogorelov) regime dominated by shapes exhibiting crater formation due to buckling. When lipid shells are tested, buckling is bypassed as the external force increases and flattened shapes prevail in an initially linear f vs d curve. Transition to a curved upwards regime is observed as the force increases, where gas compression and area dilatation form the dominant balance providing a nonlinear regime with an O(d3) dependence. Asymptotic analysis recovers the above patterns and facilitates estimation of the shell mechanical properties.

Joint contact forces can be reduced by improving joint moment symmetry in below-knee amputee gait simulations.

PubMed

Koelewijn, Anne D; van den Bogert, Antonie J

2016-09-01

Despite having a fully functional knee and hip in both legs, asymmetries in joint moments of the knee and hip are often seen in gait of persons with a unilateral transtibial amputation (TTA), possibly resulting in excessive joint loading. We hypothesize that persons with a TTA can walk with more symmetric joint moments at the cost of increased effort or abnormal kinematics. The hypothesis was tested using predictive simulations of gait. Open loop controls of one gait cycle were found by solving an optimization problem that minimizes a combination of walking effort and tracking error in joint angles, ground reaction force and gait cycle duration. A second objective was added to penalize joint moment asymmetry, creating a multi-objective optimization problem. A Pareto front was constructed by changing the weights of the objectives and three solutions were analyzed to study the effect of increasing joint moment symmetry. When the optimization placed more weight on moment symmetry, walking effort increased and kinematics became less normal, confirming the hypothesis. TTA gait improved with a moderate increase in joint moment symmetry. At a small cost of effort and abnormal kinematics, the peak hip extension moment in the intact leg was decreased significantly, and so was the joint contact force in the knee and hip. Additional symmetry required a significant increase in walking effort and the joint contact forces in both hips became significantly higher than in able-bodied gait. Copyright © 2016 Elsevier B.V. All rights reserved.

The impact of demographic change on tax revenue.

PubMed

Goudswaard, K; Van De Kar, H

1994-09-01

"This paper [simulates] the impact of demographic change on direct tax revenue for the Netherlands using extensive survey data and population projections. Projected demographic development in the Netherlands fits in well with the OECD mainstream. The analysis thus has a more general relevance. The simulations indicate a 27 percent rise in tax revenue until 2010 because of population growth and a relatively older labor force. After 2030, revenue falls as a consequence of a declining population and a rapidly rising share of the elderly. The authors also simulated a variant in which labor-force participation rates are set on the substantially higher OECD average. In this case, the increase in tax revenue almost doubles as compared to the base variant." excerpt

Numerical solutions of atmospheric flow over semielliptical simulated hills

NASA Technical Reports Server (NTRS)

Shieh, C. F.; Frost, W.

1981-01-01

Atmospheric motion over obstacles on plane surfaces to compute simulated wind fields over terrain features was studied. Semielliptical, two dimensional geometry and numerical simulation of flow over rectangular geometries is also discussed. The partial differential equations for the vorticity, stream function, turbulence kinetic energy, and turbulence length scale were solved by a finite difference technique. The mechanism of flow separation induced by a semiellipse is the same as flow over a gradually sloping surface for which the flow separation is caused by the interaction between the viscous force, the pressure force, and the turbulence level. For flow over bluff bodies, a downstream recirculation bubble is created which increases the aspect ratio and/or the turbulence level results in flow reattachment close behind the obstacle.

Communication: Multiple atomistic force fields in a single enhanced sampling simulation

NASA Astrophysics Data System (ADS)

Hoang Viet, Man; Derreumaux, Philippe; Nguyen, Phuong H.

2015-07-01

The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

Protein simulation using coarse-grained two-bead multipole force field with polarizable water models.

PubMed

Li, Min; Zhang, John Z H

2017-02-14

A recently developed two-bead multipole force field (TMFF) is employed in coarse-grained (CG) molecular dynamics (MD) simulation of proteins in combination with polarizable CG water models, the Martini polarizable water model, and modified big multipole water model. Significant improvement in simulated structures and dynamics of proteins is observed in terms of both the root-mean-square deviations (RMSDs) of the structures and residue root-mean-square fluctuations (RMSFs) from the native ones in the present simulation compared with the simulation result with Martini's non-polarizable water model. Our result shows that TMFF simulation using CG water models gives much stable secondary structures of proteins without the need for adding extra interaction potentials to constrain the secondary structures. Our result also shows that by increasing the MD time step from 2 fs to 6 fs, the RMSD and RMSF results are still in excellent agreement with those from all-atom simulations. The current study demonstrated clearly that the application of TMFF together with a polarizable CG water model significantly improves the accuracy and efficiency for CG simulation of proteins.

Protein simulation using coarse-grained two-bead multipole force field with polarizable water models

NASA Astrophysics Data System (ADS)

Li, Min; Zhang, John Z. H.

2017-02-01

A recently developed two-bead multipole force field (TMFF) is employed in coarse-grained (CG) molecular dynamics (MD) simulation of proteins in combination with polarizable CG water models, the Martini polarizable water model, and modified big multipole water model. Significant improvement in simulated structures and dynamics of proteins is observed in terms of both the root-mean-square deviations (RMSDs) of the structures and residue root-mean-square fluctuations (RMSFs) from the native ones in the present simulation compared with the simulation result with Martini's non-polarizable water model. Our result shows that TMFF simulation using CG water models gives much stable secondary structures of proteins without the need for adding extra interaction potentials to constrain the secondary structures. Our result also shows that by increasing the MD time step from 2 fs to 6 fs, the RMSD and RMSF results are still in excellent agreement with those from all-atom simulations. The current study demonstrated clearly that the application of TMFF together with a polarizable CG water model significantly improves the accuracy and efficiency for CG simulation of proteins.

Muscle damage produced during a simulated badminton match in competitive male players.

PubMed

Abián, Pablo; Del Coso, Juan; Salinero, Juan José; Gallo-Salazar, César; Areces, Francisco; Ruiz-Vicente, Diana; Lara, Beatriz; Soriano, Lidón; Muñoz, Victor; Lorenzo-Capella, Irma; Abián-Vicén, Javier

2016-01-01

The purpose of the study was to assess the occurrence of muscle damage after a simulated badminton match and its influence on physical and haematological parameters. Sixteen competitive male badminton players participated in the study. Before and just after a 45-min simulated badminton match, maximal isometric force and badminton-specific running/movement velocity were measured to assess muscle fatigue. Blood samples were also obtained before and after the match. The badminton match did not affect maximal isometric force or badminton-specific velocity. Blood volume and plasma volume were significantly reduced during the match and consequently haematite, leucocyte, and platelet counts significantly increased. Blood myoglobin and creatine kinase concentrations increased from 26.5 ± 11.6 to 197.3 ± 70.2 µg·L(-1) and from 258.6 ± 192.2 to 466.0 ± 296.5 U·L(-1), respectively. In conclusion, a simulated badminton match modified haematological parameters of whole blood and serum blood that indicate the occurrence of muscle fibre damage. However, the level of muscle damage did not produce decreased muscle performance.

Investigation and Development of Control Laws for the NASA Langley Research Center Cockpit Motion Facility

NASA Technical Reports Server (NTRS)

Coon, Craig R.; Cardullo, Frank M.; Zaychik, Kirill B.

2014-01-01

The ability to develop highly advanced simulators is a critical need that has the ability to significantly impact the aerospace industry. The aerospace industry is advancing at an ever increasing pace and flight simulators must match this development with ever increasing urgency. In order to address both current problems and potential advancements with flight simulator techniques, several aspects of current control law technology of the National Aeronautics and Space Administration (NASA) Langley Research Center's Cockpit Motion Facility (CMF) motion base simulator were examined. Preliminary investigation of linear models based upon hardware data were examined to ensure that the most accurate models are used. This research identified both system improvements in the bandwidth and more reliable linear models. Advancements in the compensator design were developed and verified through multiple techniques. The position error rate feedback, the acceleration feedback and the force feedback were all analyzed in the heave direction using the nonlinear model of the hardware. Improvements were made using the position error rate feedback technique. The acceleration feedback compensator also provided noteworthy improvement, while attempts at implementing a force feedback compensator proved unsuccessful.

Molecular dynamic simulation of Ar-Kr mixture across a rough walled nanochannel: Velocity and temperature profiles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pooja,, E-mail: pupooja16@gmail.com; Ahluwalia, P. K., E-mail: pk-ahluwalia7@yahoo.com; Pathania, Y.

2015-05-15

This paper presents the results from a molecular dynamics simulation of mixture of argon and krypton in the Poiseuille flow across a rough walled nanochannel. The roughness effect on liquid nanoflows has recently drawn attention The computational software used for carrying out the molecular dynamics simulations is LAMMPS. The fluid flow takes place between two parallel plates and is bounded by horizontal rough walls in one direction and periodic boundary conditions are imposed in the other two directions. Each fluid atom interacts with other fluid atoms and wall atoms through Leenard-Jones (LJ) potential with a cut off distance of 5.0.more » To derive the flow a constant force is applied whose value is varied from 0.1 to 0.3 and velocity profiles and temperature profiles are noted for these values of forces. The velocity profile and temperature profiles are also looked at different channel widths of nanochannel and at different densities of mixture. The velocity profile and temperature profile of rough walled nanochannel are compared with that of smooth walled nanochannel and it is concluded that mean velocity increases with increase in channel width, force applied and decrease in density also with introduction of roughness in the walls of nanochannel mean velocity again increases and results also agree with the analytical solution of a Poiseuille flow.« less

PDF turbulence modeling and DNS

NASA Technical Reports Server (NTRS)

Hsu, A. T.

1992-01-01

The problem of time discontinuity (or jump condition) in the coalescence/dispersion (C/D) mixing model is addressed in probability density function (pdf). A C/D mixing model continuous in time is introduced. With the continuous mixing model, the process of chemical reaction can be fully coupled with mixing. In the case of homogeneous turbulence decay, the new model predicts a pdf very close to a Gaussian distribution, with finite higher moments also close to that of a Gaussian distribution. Results from the continuous mixing model are compared with both experimental data and numerical results from conventional C/D models. The effect of Coriolis forces on compressible homogeneous turbulence is studied using direct numerical simulation (DNS). The numerical method used in this study is an eight order compact difference scheme. Contrary to the conclusions reached by previous DNS studies on incompressible isotropic turbulence, the present results show that the Coriolis force increases the dissipation rate of turbulent kinetic energy, and that anisotropy develops as the Coriolis force increases. The Taylor-Proudman theory does apply since the derivatives in the direction of the rotation axis vanishes rapidly. A closer analysis reveals that the dissipation rate of the incompressible component of the turbulent kinetic energy indeed decreases with a higher rotation rate, consistent with incompressible flow simulations (Bardina), while the dissipation rate of the compressible part increases; the net gain is positive. Inertial waves are observed in the simulation results.

Molecular dynamic simulation of Ar-Kr mixture across a rough walled nanochannel: Velocity & temperature profiles

NASA Astrophysics Data System (ADS)

Pooja, Pathania, Y.; Ahluwalia, P. K.

2015-05-01

This paper presents the results from a molecular dynamics simulation of mixture of argon and krypton in the Poiseuille flow across a rough walled nanochannel. The roughness effect on liquid nanoflows has recently drawn attention The computational software used for carrying out the molecular dynamics simulations is LAMMPS. The fluid flow takes place between two parallel plates and is bounded by horizontal rough walls in one direction and periodic boundary conditions are imposed in the other two directions. Each fluid atom interacts with other fluid atoms and wall atoms through Leenard-Jones (LJ) potential with a cut off distance of 5.0. To derive the flow a constant force is applied whose value is varied from 0.1 to 0.3 and velocity profiles and temperature profiles are noted for these values of forces. The velocity profile and temperature profiles are also looked at different channel widths of nanochannel and at different densities of mixture. The velocity profile and temperature profile of rough walled nanochannel are compared with that of smooth walled nanochannel and it is concluded that mean velocity increases with increase in channel width, force applied and decrease in density also with introduction of roughness in the walls of nanochannel mean velocity again increases and results also agree with the analytical solution of a Poiseuille flow.

Could an increase in airway smooth muscle shortening velocity cause airway hyperresponsiveness?

PubMed Central

Bullimore, Sharon R.; Siddiqui, Sana; Donovan, Graham M.; Martin, James G.; Sneyd, James; Bates, Jason H. T.

2011-01-01

Airway hyperresponsiveness (AHR) is a characteristic feature of asthma. It has been proposed that an increase in the shortening velocity of airway smooth muscle (ASM) could contribute to AHR. To address this possibility, we tested whether an increase in the isotonic shortening velocity of ASM is associated with an increase in the rate and total amount of shortening when ASM is subjected to an oscillating load, as occurs during breathing. Experiments were performed in vitro using 27 rat tracheal ASM strips supramaximally stimulated with methacholine. Isotonic velocity at 20% isometric force (Fiso) was measured, and then the load on the muscle was varied sinusoidally (0.33 ± 0.25 Fiso, 1.2 Hz) for 20 min, while muscle length was measured. A large amplitude oscillation was applied every 4 min to simulate a deep breath. We found that: 1) ASM strips with a higher isotonic velocity shortened more quickly during the force oscillations, both initially (P < 0.001) and after the simulated deep breaths (P = 0.002); 2) ASM strips with a higher isotonic velocity exhibited a greater total shortening during the force oscillation protocol (P < 0.005); and 3) the effect of an increase in isotonic velocity was at least comparable in magnitude to the effect of a proportional increase in ASM force-generating capacity. A cross-bridge model showed that an increase in the total amount of shortening with increased isotonic velocity could be explained by a change in either the cycling rate of phosphorylated cross bridges or the rate of myosin light chain phosphorylation. We conclude that, if asthma involves an increase in ASM velocity, this could be an important factor in the associated AHR. PMID:20971805

Geometrical force constraint method for vessel and x-ray angiogram simulation.

PubMed

Song, Shuang; Yang, Jian; Fan, Jingfan; Cong, Weijian; Ai, Danni; Zhao, Yitian; Wang, Yongtian

2016-01-01

This study proposes a novel geometrical force constraint method for 3-D vasculature modeling and angiographic image simulation. For this method, space filling force, gravitational force, and topological preserving force are proposed and combined for the optimization of the topology of the vascular structure. The surface covering force and surface adhesion force are constructed to drive the growth of the vasculature on any surface. According to the combination effects of the topological and surface adhering forces, a realistic vasculature can be effectively simulated on any surface. The image projection of the generated 3-D vascular structures is simulated according to the perspective projection and energy attenuation principles of X-rays. Finally, the simulated projection vasculature is fused with a predefined angiographic mask image to generate a realistic angiogram. The proposed method is evaluated on a CT image and three generally utilized surfaces. The results fully demonstrate the effectiveness and robustness of the proposed method.

Greenland ice sheet beyond 2100: Simulating its evolution and influence using the coupled climate-ice sheet model EC-Earth - PISM

NASA Astrophysics Data System (ADS)

Yang, S.; Christensen, J. H.; Madsen, M. S.; Ringgaard, I. M.; Petersen, R. A.; Langen, P. P.

2017-12-01

Greenland ice sheet (GrIS) is observed undergoing a rapid change in the recent decades, with an increasing area of surface melting and ablation and a speeding mass loss. Predicting the GrIS changes and their climate consequences relies on the understanding of the interaction of the GrIS with the climate system on both global and local scales, and requires climate model systems incorporating with an explicit and physically consistent ice sheet module. In this work we study the GrIS evolution and its interaction with the climate system using a fully coupled global climate model with a dynamical ice sheet model for the GrIS. The coupled model system, EC-EARTH - PISM, consisting of the atmosphere-ocean-sea ice model system EC-EARTH, and the Parallel Ice Sheet Model (PISM), has been employed for a 1400-year simulation forced by CMIP5 historical forcing from 1850 to 2005 and continued along an extended RCP8.5 scenario with the forcing peaking at 2200 and stabilized hereafter. The simulation reveals that, following the anthropogenic forcing increase, the global mean surface temperature rapidly rises about 10 °C in the 21st and 22nd century. After the forcing stops increasing after 2200, the temperature change slows down and eventually stabilizes at about 12.5 °C above the preindustrial level. In response to the climate warming, the GrIS starts losing mass slowly in the 21st century, but the ice retreat accelerates substantially after 2100 and ice mass loss continues hereafter at a constant rate of approximately 0.5 m sea level rise equivalence per 100 years, even as the warming rate gradually levels off. Ultimately the volume and extent of GrIS reduce to less than half of its preindustrial value. To understand the interaction of GrIS with the climate system, the characteristics of atmospheric and oceanic circulation in the warm climate are analyzed. The circulation patterns associated with the negative surface mass balance that leads to GrIS retreat are investigated. The impact of the simulated surface warming on the ice flow and ice dynamics is explored.

LightForce Photon-pressure Collision Avoidance: Efficiency Analysis in the Current Debris Environment and Long-Term Simulation Perspective

NASA Technical Reports Server (NTRS)

Yang, Fan Y.; Nelson, Bron; Carlino, Roberto; Perez, Andres D.; Faber, Nicolas; Henze, Chris; Karacahoglu, Arif G.; O'Toole, Conor; Swenson, Jason; Stupl, Jan

2015-01-01

This work provides an efficiency analysis of the LightForce space debris collision avoidance scheme in the current debris environment and describes a simulation approach to assess its impact on the long-term evolution of the space debris environment. LightForce aims to provide just-in-time collision avoidance by utilizing photon pressure from ground-based industrial lasers. These ground stations impart minimal accelerations to increase the miss distance for a predicted conjunction between two objects. In the first part of this paper we will present research that investigates the short-term effect of a few systems consisting of 10kW class lasers directed by 1.5 m diameter telescopes using adaptive optics. The results found such a network of ground stations to mitigate more than 85 percent of conjunctions and could lower the expected number of collisions in Low Earth Orbit (LEO) by an order of magnitude. While these are impressive numbers that indicate LightForce's utility in the short-term, the remaining 15 percent of possible collisions contain (among others) conjunctions between two massive objects that would add large amount of debris if they collide. Still, conjunctions between massive objects and smaller objects can be mitigated. Hence we choose to expand the capabilities of the simulation software to investigate the overall effect of a network of LightForce stations on the long-term debris evolution. In the second part of this paper, we will present the planed simulation approach for that effort.

Combining experimental and simulation data of molecular processes via augmented Markov models.

PubMed

Olsson, Simon; Wu, Hao; Paul, Fabian; Clementi, Cecilia; Noé, Frank

2017-08-01

Accurate mechanistic description of structural changes in biomolecules is an increasingly important topic in structural and chemical biology. Markov models have emerged as a powerful way to approximate the molecular kinetics of large biomolecules while keeping full structural resolution in a divide-and-conquer fashion. However, the accuracy of these models is limited by that of the force fields used to generate the underlying molecular dynamics (MD) simulation data. Whereas the quality of classical MD force fields has improved significantly in recent years, remaining errors in the Boltzmann weights are still on the order of a few [Formula: see text], which may lead to significant discrepancies when comparing to experimentally measured rates or state populations. Here we take the view that simulations using a sufficiently good force-field sample conformations that are valid but have inaccurate weights, yet these weights may be made accurate by incorporating experimental data a posteriori. To do so, we propose augmented Markov models (AMMs), an approach that combines concepts from probability theory and information theory to consistently treat systematic force-field error and statistical errors in simulation and experiment. Our results demonstrate that AMMs can reconcile conflicting results for protein mechanisms obtained by different force fields and correct for a wide range of stationary and dynamical observables even when only equilibrium measurements are incorporated into the estimation process. This approach constitutes a unique avenue to combine experiment and computation into integrative models of biomolecular structure and dynamics.

Gender differences in tibio-femoral kinematics and quadriceps muscle force during weight-bearing knee flexion in vitro.

PubMed

Wünschel, Markus; Wülker, Nikolaus; Müller, Otto

2013-11-01

Females have a higher risk in terms of anterior cruciate ligament injuries during sports than males. Reasons for this fact may be different anatomy and muscle recruitment patterns leading to less protection for the cruciate- and collateral-ligaments. This in vitro study aims to evaluate gender differences in knee joint kinematics and muscle force during weight-bearing knee flexions. Thirty-four human knee specimens (17 females/17 males) were mounted on a dynamic knee simulator. Weight-bearing single-leg knee flexions were performed with different amounts of simulated body weight (BW). Gender-specific kinematics was measured with an ultrasonic motion capture system and different loading conditions were examined. Knee joint kinematics did not show significant differences regarding anteroposterior and medial-lateral movement as well as tibial varus-valgus and internal-external rotation. This applied to all simulated amounts of BW. Simulating 100 N BW in contrast to AF50 led to a significant higher quadriceps overall force in female knees from 45° to 85° of flexion in contrast to BW 50 N. In these female specimens, the quadriceps overall force was about 20 % higher than in male knees being constant in higher flexion angles. It is indicated by our results that in a squatting movement females compared with males produce higher muscle forces, suggesting an increased demand for muscular stabilization, whereas tibio-femoral kinematics was similar for both genders.

Micro-scale dynamic simulation of erythrocyte-platelet interaction in blood flow.

PubMed

AlMomani, T; Udaykumar, H S; Marshall, J S; Chandran, K B

2008-06-01

Platelet activation, adhesion, and aggregation on the blood vessel and implants result in the formation of mural thrombi. Platelet dynamics in blood flow is influenced by the far more numerous erythrocytes (RBCs). This is particularly the case in the smaller blood vessels (arterioles) and in constricted regions of blood flow (such as in valve leakage and hinge regions) where the dimensions of formed elements of blood become comparable with that of the flow geometry. In such regions, models to predict platelet motion, activation, aggregation and adhesion must account for platelet-RBC interactions. This paper studies platelet-RBC interactions in shear flows by performing simulations of micro-scale dynamics using a computational fluid dynamics (CFD) model. A level-set sharp-interface immersed boundary method is employed in the computations in which RBC and platelet boundaries are tracked on a two-dimensional Cartesian grid. The RBCs are assumed to have an elliptical shape and to deform elastically under fluid forces while the platelets are assumed to behave as rigid particles of circular shape. Forces and torques between colliding blood cells are modeled using an extension of the soft-sphere model for elliptical particles. RBCs and platelets are transported under the forces and torques induced by fluid flow and cell-cell and cell-platelet collisions. The simulations show that platelet migration toward the wall is enhanced with increasing hematocrit, in agreement with past experimental observations. This margination is seen to occur due to hydrodynamic forces rather than collisional forces or volumetric exclusion effects. The effect of fluid shear forces on the platelets increases exponentially as a function of hematocrit for the range of parameters covered in this study. The micro-scale analysis can be potentially employed to obtain a deterministic relationship between fluid forces and platelet activation and aggregation in blood flow past cardiovascular implants.

Reynolds Number Effect on Spatial Development of Viscous Flow Induced by Wave Propagation Over Bed Ripples

NASA Astrophysics Data System (ADS)

Dimas, Athanassios A.; Kolokythas, Gerasimos A.

Numerical simulations of the free-surface flow, developing by the propagation of nonlinear water waves over a rippled bottom, are performed assuming that the corresponding flow is two-dimensional, incompressible and viscous. The simulations are based on the numerical solution of the Navier-Stokes equations subject to the fully-nonlinear free-surface boundary conditions and appropriate bottom, inflow and outflow boundary conditions. The equations are properly transformed so that the computational domain becomes time-independent. For the spatial discretization, a hybrid scheme is used where central finite-differences, in the horizontal direction, and a pseudo-spectral approximation method with Chebyshev polynomials, in the vertical direction, are applied. A fractional time-step scheme is used for the temporal discretization. Over the rippled bed, the wave boundary layer thickness increases significantly, in comparison to the one over flat bed, due to flow separation at the ripple crests, which generates alternating circulation regions. The amplitude of the wall shear stress over the ripples increases with increasing ripple height or decreasing Reynolds number, while the corresponding friction force is insensitive to the ripple height change. The amplitude of the form drag forces due to dynamic and hydrostatic pressures increase with increasing ripple height but is insensitive to the Reynolds number change, therefore, the percentage of friction in the total drag force decreases with increasing ripple height or increasing Reynolds number.

Aerosol indirect effect on tropospheric ozone via lightning

NASA Astrophysics Data System (ADS)

Yuan, Tianle; Remer, Lorraine A.; Bian, Huisheng; Ziemke, Jerald R.; Albrecht, Rachel; Pickering, Kenneth E.; Oreopoulos, Lazaros; Goodman, Steven J.; Yu, Hongbin; Allen, Dale J.

2012-09-01

Tropospheric ozone (O3) is a pollutant and major greenhouse gas and its radiative forcing is still uncertain. Inadequate understanding of processes related to O3 production, in particular those natural ones such as lightning, contributes to this uncertainty. Here we demonstrate a new effect of aerosol particles on O3production by affecting lightning activity and lightning-generated NOx (LNOx). We find that lightning flash rate increases at a remarkable rate of 30 times or more per unit of aerosol optical depth. We provide observational evidence that indicates the observed increase in lightning activity is caused by the influx of aerosols from a volcano. Satellite data analyses show O3is increased as a result of aerosol-induced increase in lightning and LNOx, which is supported by modle simulations with prescribed lightning change. O3production increase from this aerosol-lightning-ozone link is concentrated in the upper troposphere, where O3 is most efficient as a greenhouse gas. In the face of anthropogenic aerosol increase our findings suggest that lightning activity, LNOx and O3, especially in the upper troposphere, have all increased substantially since preindustrial time due to the proposed aerosol-lightning-ozone link, which implies a stronger O3 historical radiative forcing. Aerosol forcing therefore has a warming component via its effect on O3 production and this component has mostly been ignored in previous studies of climate forcing related to O3and aerosols. Sensitivity simulations suggest that 4-8% increase of column tropospheric ozone, mainly in the tropics, is expected if aerosol-lighting-ozone link is parameterized, depending on the background emission scenario. We note, however, substantial uncertainties remain on the exact magnitude of aerosol effect on tropospheric O3 via lightning. The challenges for obtaining a quantitative global estimate of this effect are also discussed. Our results have significant implications for understanding past and projecting future tropospheric O3forcing as well as wildfire changes and call for integrated investigations of the coupled aerosol-cloud-chemistry system.

Functional electrical stimulation of gluteus medius reduces the medial joint reaction force of the knee during level walking.

PubMed

Rane, Lance; Bull, Anthony Michael James

2016-11-03

By altering muscular activation patterns, internal forces acting on the human body during dynamic activity may be manipulated. The magnitude of one of these forces, the medial knee joint reaction force (JRF), is associated with disease progression in patients with early osteoarthritis (OA), suggesting utility in its targeted reduction. Increased activation of gluteus medius has been suggested as a means to achieve this. Motion capture equipment and force plate transducers were used to obtain kinematic and kinetic data for 15 healthy subjects during level walking, with and without the application of functional electrical stimulation (FES) to gluteus medius. Musculoskeletal modelling was employed to determine the medial knee JRF during stance phase for each trial. A further computer simulation of increased gluteus medius activation was performed using data from normal walking trials by a manipulation of modelling parameters. Relationships between changes in the medial knee JRF, kinematics and ground reaction force were evaluated. In simulations of increased gluteus medius activity, the total impulse of the medial knee JRF was reduced by 4.2 % (p = 0.003) compared to control. With real-world application of FES to the muscle, the magnitude of this reduction increased to 12.5 % (p < 0.001), with significant inter-subject variation. Across subjects, the magnitude of reduction correlated strongly with kinematic (p < 0.001) and kinetic (p < 0.001) correlates of gluteus medius activity. The results support a major role for gluteus medius in the protection of the knee for patients with OA, establishing the muscle's central importance to effective therapeutic regimes. FES may be used to achieve increased activation in order to mitigate distal internal loads, and much of the benefit of this increase can be attributed to resulting changes in kinematic parameters and the ground reaction force. The utility of interventions targeting gluteus medius can be assessed in a relatively straightforward way by determination of the magnitude of reduction in pelvic drop, an easily accessed marker of aberrant loading at the knee.

Flight Simulation of a 3 gram Autonomous Glider

DTIC Science & Technology

2006-05-24

are referred to as S(t) and Sdot(t), respectively. The rotational direction is in a 4 element vector q(t), a quaternion that captures the 3 degrees... angles of attack from 30º to -30º, and the lift and drag forces were measured at each angle . Figure 3 shows the results of these measurements. As...expected, within a certain range the lift forces vary roughly linearly versus angle of attack. The drag forces increase more dramatically as one

Simulated versus observed patterns of warming over the extratropical Northern Hemisphere continents during the cold season

PubMed Central

Wallace, John M.; Fu, Qiang; Smoliak, Brian V.; Lin, Pu; Johanson, Celeste M.

2012-01-01

A suite of the historical simulations run with the Intergovernmental Panel on Climate Change Fourth Assessment Report (IPCC AR4) models forced by greenhouse gases, aerosols, stratospheric ozone depletion, and volcanic eruptions and a second suite of simulations forced by increasing CO2 concentrations alone are compared with observations for the reference interval 1965–2000. Surface air temperature trends are disaggregated by boreal cold (November-April) versus warm (May-October) seasons and by high latitude northern (N: 40°–90 °N) versus southern (S: 60 °S–40 °N) domains. A dynamical adjustment is applied to remove the component of the cold-season surface air temperature trends (over land areas poleward of 40 °N) that are attributable to changing atmospheric circulation patterns. The model simulations do not simulate the full extent of the wintertime warming over the high-latitude Northern Hemisphere continents during the later 20th century, much of which was dynamically induced. Expressed as fractions of the concurrent trend in global-mean sea surface temperature, the relative magnitude of the dynamically induced wintertime warming over domain N in the observations, the simulations with multiple forcings, and the runs forced by the buildup of greenhouse gases only is 7∶2∶1, and roughly comparable to the relative magnitude of the concurrent sea-level pressure trends. These results support the notion that the enhanced wintertime warming over high northern latitudes from 1965 to 2000 was mainly a reflection of unforced variability of the coupled climate system. Some of the simulations exhibit an enhancement of the warming along the Arctic coast, suggestive of exaggerated feedbacks. PMID:22847408

May common model biases reduce CMIP5's ability to simulate the recent Pacific La Niña-like cooling?

NASA Astrophysics Data System (ADS)

Luo, Jing-Jia; Wang, Gang; Dommenget, Dietmar

2018-02-01

Over the recent three decades sea surface temperate (SST) in the eastern equatorial Pacific has decreased, which helps reduce the rate of global warming. However, most CMIP5 model simulations with historical radiative forcing do not reproduce this Pacific La Niña-like cooling. Based on the assumption of "perfect" models, previous studies have suggested that errors in simulated internal climate variations and/or external radiative forcing may cause the discrepancy between the multi-model simulations and the observation. But the exact causes remain unclear. Recent studies have suggested that observed SST warming in the other two ocean basins in past decades and the thermostat mechanism in the Pacific in response to increased radiative forcing may also play an important role in driving this La Niña-like cooling. Here, we investigate an alternative hypothesis that common biases of current state-of-the-art climate models may deteriorate the models' ability and can also contribute to this multi-model simulations-observation discrepancy. Our results suggest that underestimated inter-basin warming contrast across the three tropical oceans, overestimated surface net heat flux and underestimated local SST-cloud negative feedback in the equatorial Pacific may favor an El Niño-like warming bias in the models. Effects of the three common model biases do not cancel one another and jointly explain 50% of the total variance of the discrepancies between the observation and individual models' ensemble mean simulations of the Pacific SST trend. Further efforts on reducing common model biases could help improve simulations of the externally forced climate trends and the multi-decadal climate fluctuations.

Initial development of a device for controlling manually applied forces.

PubMed

Waddington, Gordon S; Adams, Roger D

2007-05-01

In both simulation and manual therapy studies, substantial variability has been shown when therapists attempt to replicate an applied force. Knowledge about the forces employed during treatment could reduce this variability. In the current project, a prototype for a mobilizing device incorporating a dynamometer was constructed. The prototype device was built around a conventional "hand-grip" dynamometer to give dial visibility during application of mobilizing forces and a moulded handle was used to increase the hand contact surface during force application. The variability of the mobilization forces produced was measured, and ratings of comfort during a simulated spinal mobilization technique were obtained from therapists. Thirty physiotherapists were randomly allocated to apply either: (i) their own estimate of a grade III mobilization force using their hands in a pisiform grip or (ii) a 100N force with the manual therapy dynamometer, and to rate comfort during the performance of both techniques on a 100mm visual analogue scale. Variance in dynamometer-dial-guided force application was always significantly less than the variance in therapist-concept-guided force application. Repeated-measures tests showed that the mean force produced at grade III was not significantly different from 100N, but physiotherapist comfort ratings were found to be significantly greater (P<0.01) when the manual therapy dynamometer was used. Manually applied force variability was significantly less and therapist comfort greater when using a device with visual access to a dial giving immediate force readout.

A novel cadaveric model for anterior-inferior shoulder dislocation using forcible apprehension positioning.

PubMed

McMahon, Patrick J; Chow, Stephen; Sciaroni, Laura; Yang, Bruce Y; Lee, Thay Q

2003-01-01

A novel cadaveric model for anterior-inferior shoulder dislocation using forcible apprehension positioning is presented. This model simulates an in vivo mechanism and yields capsulolabral lesions. The scapulae of 14 cadaveric entire upper limbs (82 +/- 9 years, mean +/- standard deviation) were each rigidly fixed to a custom shoulder-testing device. A pneumatic system was used with pulleys and cables to simulate the rotator cuff and the deltoid muscles (anterior and middle portions). The glenohumeral joint was then positioned in the apprehension position of abduction, external rotation, and horizontal abduction. A 6-degree-of-freedom load cell (Assurance Technologies, Garner, North Carolina) measured the joint reaction force that was then resolved into three orthogonal components of compression force, anteriorly directed force, and superiorly directed force. With the use of a thrust bearing, the humerus was moved along a rail with a servomotor-controlled system at 50 mm/s that resulted in horizontal abduction. Force that developed passively in the pectoralis major muscle was recorded with an independent uniaxial load cell. Each of the glenohumeral joints dislocated anterior-inferior, six with avulsion of the capsulolabrum from the anterior-inferior glenoid bone and eight with capsulolabral stretching. Pectoralis major muscle force as well as the joint reaction force increased with horizontal abduction until dislocation. At dislocation, the magnitude of the pectoralis major muscle force, 609.6 N +/- 65.2 N was similar to the compression force, 569.6 N +/- 37.8 N. A cadaveric model yielded an anterior dislocation with a mechanism of forcible apprehension positioning when the appropriate shoulder muscles were simulated and a passive pectoralis major muscle was included. Capsulolabral lesions resulted, similar to those observed in vivo.

Modeling the Diagnostic Effects of Vegetation, Soil Albedo, and Dust on Mid-Holocene Saharan Climate

NASA Astrophysics Data System (ADS)

Thompson, A.; Poulsen, C. J.; Skinner, C. B.

2017-12-01

Unlike today, the Mid-Holocene (MH, 6,000 BP) African Sahara comprised of mixed vegetation and permanent lakes that supported human settlements. Climate proxies including leaf wax isotope, pollen, and dust flux records suggest that African monsoonal precipitation reached 31°N, compared to 15°N today. Changes in orbital forcing are partly responsible for the intensification of the African monsoon, but alone cannot explain the more humid MH Sahara. Modeling studies have shown that vegetation and soil albedo feedbacks greatly increase Saharan rainfall but still fall short of levels indicated by proxies. A recent study proposed that reduced Saharan dust concentrations due to greater vegetation coverage further increased MH rainfall. However, this study used idealized dust concentrations to improve proxy agreement and did not include the dust aerosol indirect effects in its model physics. Here we use CESM CAM5-chem to quantify the impact of diagnostic changes in Saharan dust, including indirect effects, on MH Saharan climate and compare it to changes in orbital forcing, soil albedo, and vegetation. Consistent with previous studies, a change in MH orbital forcing alone leads to a 20% increase in summer (June-Sept.) precipitation over Northern Africa (0°-30°N, 20°W-30°E) relative to a pre-industrial control, but still fails to reach the northward extent suggested by proxies. Adding MH soil albedo or vegetation increases summer precipitation by 45% and 52%, and shifts the maximum latitudinal rainfall extent 10° and 12° northward, respectively. These increases are 2.28 and 2.64 times greater than the precipitation increase from MH orbital forcing alone. MH soil albedo results in a dust burden increase of 22%, yet MH vegetation results in a 96% reduction. Both MH soil albedo and vegetation combined increase summer precipitation by 56% and 13° northward, an increase 2.84 times greater than the orbital forcing alone, and reduces dust burden by 97%. An additional simulation with prescribed pre-industrial dust over a MH Sahara will isolate the effect of dust, and an analysis of aerosol indirect effects will be presented. The simulations presented here are the most realistic treatment of dust aerosols on MH Saharan climate and advance our understanding of how dust forcing compares with more widely studied climate forcings.

The Impact of the Atlantic Cold Tongue on West African Monsoon Onset in Regional Model Simulations for 1998-2002

NASA Technical Reports Server (NTRS)

Druyan, Leonard M.; Fulakeza, Matthew B.

2014-01-01

The Atlantic cold tongue (ACT) develops during spring and early summer near the Equator in the Eastern Atlantic Ocean and Gulf of Guinea. The hypothesis that the ACT accelerates the timing of West African monsoon (WAM) onset is tested by comparing two regional climate model (RM3) simulation ensembles. Observed sea surface temperatures (SST) that include the ACT are used to force a control ensemble. An idealized, warm SST perturbation is designed to represent lower boundary forcing without the ACT for the experiment ensemble. Summer simulations forced by observed SST and reanalysis boundary conditions for each of five consecutive years are compared to five parallel runs forced by SST with the warm perturbation. The article summarizes the sequence of events leading to the onset of the WAM in the Sahel region. The representation of WAM onset in RM3 simulations is examined and compared to Tropical Rainfall Measuring Mission (TRMM), Global Precipitation Climatology Project (GPCP) and reanalysis data. The study evaluates the sensitivity of WAM onset indicators to the presence of the ACT by analysing the differences between the two simulation ensembles. Results show that the timing of major rainfall events and therefore theWAM onset in the Sahel are not sensitive to the presence of the ACT. However, the warm SST perturbation does increase downstream rainfall rates over West Africa as a consequence of enhanced specific humidity and enhanced northward moisture flux in the lower troposphere.

The effect of glenosphere diameter and eccentricity on deltoid power in reverse shoulder arthroplasty.

PubMed

Scalise, J; Jaczynski, A; Jacofsky, M

2016-02-01

The eccentric glenosphere was principally introduced into reverse shoulder arthroplasty to reduce the incidence of scapular notching. There is only limited information about the influence of its design on deltoid power and joint reaction forces. The aim of our study was to investigate how the diameter and eccentricity of the glenosphere affect the biomechanics of the deltoid and the resultant joint reaction forces. Different sizes of glenosphere and eccentricity were serially tested in ten cadaveric shoulders using a custom shoulder movement simulator. Increasing the diameter of the glenosphere alone did not alter the deltoid moment arm. However, using an eccentric glenosphere increased the moment arm of the deltoid, lowered the joint reaction force and required less deltoid force to generate movement. Eccentricity is an independent variable which increases deltoid efficiency and lowers joint reaction forces in a reverse shoulder arthroplasty. Cite this article: Bone Joint J 2016;98-B:218-23. ©2016 The British Editorial Society of Bone & Joint Surgery.

Relative contribution of different altered motor unit control to muscle weakness in stroke: a simulation study

NASA Astrophysics Data System (ADS)

Shin, Henry; Suresh, Nina L.; Zev Rymer, William; Hu, Xiaogang

2018-02-01

Objective. Chronic muscle weakness impacts the majority of individuals after a stroke. The origins of this hemiparesis is multifaceted, and an altered spinal control of the motor unit (MU) pool can lead to muscle weakness. However, the relative contribution of different MU recruitment and discharge organization is not well understood. In this study, we sought to examine these different effects by utilizing a MU simulation with variations set to mimic the changes of MU control in stroke. Approach. Using a well-established model of the MU pool, this study quantified the changes in force output caused by changes in MU recruitment range and recruitment order, as well as MU firing rate organization at the population level. We additionally expanded the original model to include a fatigue component, which variably decreased the output force with increasing length of contraction. Differences in the force output at both the peak and fatigued time points across different excitation levels were quantified and compared across different sets of MU parameters. Main results. Across the different simulation parameters, we found that the main driving factor of the reduced force output was due to the compressed range of MU recruitment. Recruitment compression caused a decrease in total force across all excitation levels. Additionally, a compression of the range of MU firing rates also demonstrated a decrease in the force output mainly at the higher excitation levels. Lastly, changes to the recruitment order of MUs appeared to minimally impact the force output. Significance. We found that altered control of MUs alone, as simulated in this study, can lead to a substantial reduction in muscle force generation in stroke survivors. These findings may provide valuable insight for both clinicians and researchers in prescribing and developing different types of therapies for the rehabilitation and restoration of lost strength after stroke.

Effects of soot-induced snow albedo change on snowpack and hydrological cycle in western U.S. based on WRF chemistry and regional climate simulations

NASA Astrophysics Data System (ADS)

Qian, Y.; Gustafson, W. I.; Leung, R.; Ghan, S. J.

2008-12-01

Radiative forcing induced by soot on snow is an important anthropogenic forcing affecting the global climate. In this study we simulated the deposition of soot aerosol on snow and the resulting impact on snowpack and the hydrological cycle in the western United States. A yearlong simulation was performed using the chemistry version of the Weather Research and Forecasting model (WRF-Chem) to determine the soot deposition, followed by three simulations using WRF in meteorology-only mode, with and without the soot-induced snow albedo perturbations. The chemistry simulation shows large spatial variability in soot deposition that reflects the localized emissions and the influence of the complex terrain. The soot-induced snow albedo perturbations increase the surface net solar radiation flux during late winter to early spring, increase the surface air temperature, and reduce the snow accumulation and spring snowmelt. These effects are stronger over the central Rockies and southern Alberta, where soot deposition and snowpack overlap the most. The indirect forcing of soot accelerates snowmelt and alters stream flows, including a trend toward earlier melt dates in the western United States. The soot-induced albedo reduction initiates a positive feedback process whereby dirty snow absorbs more solar radiation, heating the surface and warming the air. This warming causes reduced snow depth and fraction, which further reduces the regional surface albedo for the snow covered regions. For a doubled snow albedo perturbation, the change to surface energy and temperature is around 50-80%, however, snowpack reduction is nonlinearly accelerated.

Effects of soot-induced snow albedo change on snowpack and hydrological cycle in western United States based on Weather Research and Forecasting chemistry and regional climate simulations

NASA Astrophysics Data System (ADS)

Qian, Yun; Gustafson, William I.; Leung, L. Ruby; Ghan, Steven J.

2009-02-01

Radiative forcing induced by soot on snow is an important anthropogenic forcing affecting the global climate. In this study we simulated the deposition of soot aerosol on snow and the resulting impact on snowpack and the hydrological cycle in the western United States. A year-long simulation was performed using the chemistry version of the Weather Research and Forecasting model (WRF-Chem) to determine the soot deposition, followed by three simulations using WRF in meteorology-only mode, with and without the soot-induced snow albedo perturbations. The chemistry simulation shows large spatial variability in soot deposition that reflects the localized emissions and the influence of the complex terrain. The soot-induced snow albedo perturbations increase the surface net solar radiation flux during late winter to early spring, increase the surface air temperature, and reduce the snow accumulation and spring snowmelt. These effects are stronger over the central Rockies and southern Alberta, where soot deposition and snowpack overlap the most. The indirect forcing of soot accelerates snowmelt and alters stream flows, including a trend toward earlier melt dates in the western United States. The soot-induced albedo reduction initiates a positive feedback process whereby dirty snow absorbs more solar radiation, heating the surface and warming the air. This warming causes reduced snow depth and fraction, which further reduces the regional surface albedo for the snow-covered regions. For a doubled snow albedo perturbation, the change to surface energy and temperature is around 50-80%; however, snowpack reduction is nonlinearly accelerated.

Passive scalar entrainment and mixing in a forced, spatially-developing mixing layer

NASA Technical Reports Server (NTRS)

Lowery, P. S.; Reynolds, W. C.; Mansour, N. N.

1987-01-01

Numerical simulations are performed for the forced, spatially-developing plane mixing layer in two and three dimensions. Transport of a passive scalar field is included in the computation. This, together with the allowance for spatial development in the simulations, affords the opportunity for study of the asymmetric entrainment of irrotational fluid into the layer. The inclusion of a passive scalar field provides a means for simulating the effect of this entrainment asymmetry on the generation of 'products' from a 'fast' chemical reaction. Further, the three-dimensional simulations provide useful insight into the effect of streamwise structures on these entrainment and 'fast' reaction processes. Results from a two-dimensional simulation indicate 1.22 parts high-speed fluid are entrained for every one part low-speed fluid. Inclusion of streamwise vortices at the inlet plane of a three-dimensional simulation indicate a further increase in asymmetric entrainment - 1.44:1. Results from a final three-dimensional simulation are presented. In this case, a random velocity perturbation is imposed at the inlet plane. The results indicate the 'natural' development of the large spanwise structures characteristic of the mixing layer.

Impact of internal variability on projections of Sahel precipitation change

NASA Astrophysics Data System (ADS)

Monerie, Paul-Arthur; Sanchez-Gomez, Emilia; Pohl, Benjamin; Robson, Jon; Dong, Buwen

2017-11-01

The impact of the increase of greenhouse gases on Sahelian precipitation is very uncertain in both its spatial pattern and magnitude. In particular, the relative importance of internal variability versus external forcings depends on the time horizon considered in the climate projection. In this study we address the respective roles of the internal climate variability versus external forcings on Sahelian precipitation by using the data from the CESM Large Ensemble Project, which consists of a 40 member ensemble performed with the CESM1-CAM5 coupled model for the period 1920-2100. We show that CESM1-CAM5 is able to simulate the mean and interannual variability of Sahel precipitation, and is representative of a CMIP5 ensemble of simulations (i.e. it simulates the same pattern of precipitation change along with equivalent magnitude and seasonal cycle changes as the CMIP5 ensemble mean). However, CESM1-CAM5 underestimates the long-term decadal variability in Sahel precipitation. For short-term (2010-2049) and mid-term (2030-2069) projections the simulated internal variability component is able to obscure the projected impact of the external forcing. For long-term (2060-2099) projections external forcing induced change becomes stronger than simulated internal variability. Precipitation changes are found to be more robust over the central Sahel than over the western Sahel, where climate change effects struggle to emerge. Ten (thirty) members are needed to separate the 10 year averaged forced response from climate internal variability response in the western Sahel for a long-term (short-term) horizon. Over the central Sahel two members (ten members) are needed for a long-term (short-term) horizon.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makhnovskii, Yurii A.; Berezhkovskii, Alexander M.; Antipov, Anatoly E.

This paper is devoted to particle transport in a tube formed by alternating wide and narrow sections, in the presence of an external biasing force. The focus is on the effective transport coefficients—mobility and diffusivity, as functions of the biasing force and the geometric parameters of the tube. Dependences of the effective mobility and diffusivity on the tube geometric parameters are known in the limiting cases of no bias and strong bias. The approximations used to obtain these results are inapplicable at intermediate values of the biasing force. To bridge the two limits Brownian dynamics simulations were run to determinemore » the transport coefficients at intermediate values of the force. The simulations were performed for a representative set of tube geometries over a wide range of the biasing force. They revealed that there is a range of the narrow section length, where the force dependence of the mobility has a maximum. In contrast, the diffusivity is a monotonically increasing function of the force. A simple formula is proposed, which reduces to the known dependences of the diffusivity on the tube geometric parameters in both limits of zero and strong bias. At intermediate values of the biasing force, the formula catches the diffusivity dependence on the narrow section length, if the radius of these sections is not too small.« less

Experimental verification of dynamic simulation

NASA Technical Reports Server (NTRS)

Yae, K. Harold; Hwang, Howyoung; Chern, Su-Tai

1989-01-01

The dynamics model here is a backhoe, which is a four degree of freedom manipulator from the dynamics standpoint. Two types of experiment are chosen that can also be simulated by a multibody dynamics simulation program. In the experiment, recorded were the configuration and force histories; that is, velocity and position, and force output and differential pressure change from the hydraulic cylinder, in the time domain. When the experimental force history is used as driving force in the simulation model, the forward dynamics simulation produces a corresponding configuration history. Then, the experimental configuration history is used in the inverse dynamics analysis to generate a corresponding force history. Therefore, two sets of configuration and force histories--one set from experiment, and the other from the simulation that is driven forward and backward with the experimental data--are compared in the time domain. More comparisons are made in regard to the effects of initial conditions, friction, and viscous damping.

Design of teleoperation system with a force-reflecting real-time simulator

NASA Technical Reports Server (NTRS)

Hirata, Mitsunori; Sato, Yuichi; Nagashima, Fumio; Maruyama, Tsugito

1994-01-01

We developed a force-reflecting teleoperation system that uses a real-time graphic simulator. This system eliminates the effects of communication time delays in remote robot manipulation. The simulator provides the operator with predictive display and feedback of computed contact forces through a six-degree of freedom (6-DOF) master arm on a real-time basis. With this system, peg-in-hole tasks involving round-trip communication time delays of up to a few seconds were performed at three support levels: a real image alone, a predictive display with a real image, and a real-time graphic simulator with computed-contact-force reflection and a predictive display. The experimental results indicate the best teleoperation efficiency was achieved by using the force-reflecting simulator with two images. The shortest work time, lowest sensor maximum, and a 100 percent success rate were obtained. These results demonstrate the effectiveness of simulated-force-reflecting teleoperation efficiency.

Advances in free-energy-based simulations of protein folding and ligand binding.

PubMed

Perez, Alberto; Morrone, Joseph A; Simmerling, Carlos; Dill, Ken A

2016-02-01

Free-energy-based simulations are increasingly providing the narratives about the structures, dynamics and biological mechanisms that constitute the fabric of protein science. Here, we review two recent successes. It is becoming practical: first, to fold small proteins with free-energy methods without knowing substructures and second, to compute ligand-protein binding affinities, not just their binding poses. Over the past 40 years, the timescales that can be simulated by atomistic MD are doubling every 1.3 years--which is faster than Moore's law. Thus, these advances are not simply due to the availability of faster computers. Force fields, solvation models and simulation methodology have kept pace with computing advancements, and are now quite good. At the tip of the spear recently are GPU-based computing, improved fast-solvation methods, continued advances in force fields, and conformational sampling methods that harness external information. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modeling the Sedimentation of Red Blood Cells in Flow under Strong External Magnetic Body Force using a Lattice Boltzmann Fictitious Domain Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Xing; Lin, Guang

To model the sedimentation of the red blood cell (RBC) in a square duct and a circular pipe, the recently developed technique derived from the lattice Boltzmann method and the distributed Lagrange multiplier/fictitious domain method (LBM-DLM/FD) is extended to employ the mesoscopic network model for simulations of the sedimentation of the RBC in flow. The flow is simulated by the lattice Boltzmann method with a strong magnetic body force, while the network model is used for modeling RBC deformation. The fluid-RBC interactions are enforced by the Lagrange multiplier. The sedimentation of the RBC in a square duct and a circularmore » pipe is simulated, revealing the capacity of the current method for modeling the sedimentation of RBC in various flows. Numerical results illustrate that that the terminal setting velocity increases with the increment of the exerted body force. The deformation of the RBC has significant effect on the terminal setting velocity due to the change of the frontal area. The larger the exerted force is, the smaller the frontal area and the larger deformation of the RBC are.« less

Current Reversals of an Underdamped Brownian Particle in an Asymmetric Deformable Potential

NASA Astrophysics Data System (ADS)

Cai, Chun-Chun; Liu, Jian-Li; Chen, Hao; Li, Feng-Guo

2018-03-01

Transport of an underdamped Brownian particle in a one-dimensional asymmetric deformable potential is investigated in the presence of both an ac force and a static force, respectively. From numerical simulations, we obtain the current average velocity. The current reversals and the absolute negative mobility are presented. The increasing of the deformation of the potential can cause the absolute negative mobility to be suppressed and even disappear. When the static force is small, the increase of the potential deformation suppresses the absolute negative mobility. When the force is large, the absolute negative mobility disappears. In particular, when the potential deformation is equal to 0.015, the two current reversals present with the increasing of the force. Remarkably, when the potential deformation is small, there are three current reversals with the increasing of the friction coefficient and the average velocity presents a oscillation behavior. Supported in part by the National Natural Science Foundation of China under Grant Nos. 11575064 and 11175067, and the Natural Science Foundation of Guangdong Province under Grant No. 2016A030313433

Numerical Simulations for Distribution Characteristics of Internal Forces on Segments of Tunnel Linings

NASA Astrophysics Data System (ADS)

Li, Shouju; Shangguan, Zichang; Cao, Lijuan

A procedure based on FEM is proposed to simulate interaction between concrete segments of tunnel linings and soils. The beam element named as Beam 3 in ANSYS software was used to simulate segments. The ground loss induced from shield tunneling and segment installing processes is simulated in finite element analysis. The distributions of bending moment, axial force and shear force on segments were computed by FEM. The commutated internal forces on segments will be used to design reinforced bars on shield linings. Numerically simulated ground settlements agree with observed values.

Periodic forcing of a shock train in a scramjet inlet-isolator at overspeed condition

NASA Astrophysics Data System (ADS)

Jiao, Xiaoliang; Chang, Juntao; Wang, Zhongqi; Yu, Daren

2018-02-01

Unsteady viscous numerical simulations are performed to explore the response of a shock train to downstream backpressure forcing in a scramjet inlet-isolator at the overspeed condition. A sinusoidal dynamic backpressure is applied at the exit of the isolator, thus leading a forced shock train oscillation. The results show that the shock train travels along a different path for the upstream and downstream movements. There is a clear hysteresis loop during the shock train oscillation. Under the low forcing frequency, the shock train travels in a clockwise loop. While it travels in a counter-clockwise loop under the high forcing frequency. Moreover, there is a lag between the shock train oscillation and the fluctuating backpressure. Especially for the high forcing frequency, the phase of the shock train oscillation is opposite to the fluctuating backpressure. The effects of the amplitude and frequency of the periodic fluctuating backpressure on the oscillation range of the shock train are also investigated. With the amplitude of the fluctuating backpressure increasing, the oscillation range of the shock train increases. With the frequency of the fluctuating backpressure increasing, the oscillation range of the shock train increases first and then decreases under high frequency.

Enhanced electrohydrodynamic force generation in a two-stroke cycle dielectric-barrier-discharge plasma actuator

NASA Astrophysics Data System (ADS)

Sato, Shintaro; Takahashi, Masayuki; Ohnishi, Naofumi

2017-05-01

An approach for electrohydrodynamic (EHD) force production is proposed with a focus on a charge cycle on a dielectric surface. The cycle, consisting of positive-charging and neutralizing strokes, is completely different from the conventional methodology, which involves a negative-charging stroke, in that the dielectric surface charge is constantly positive. The two-stroke charge cycle is realized by applying a DC voltage combined with repetitive pulses. Simulation results indicate that the negative pulse eliminates the surface charge accumulated during constant voltage phase, resulting in repetitive EHD force generation. The time-averaged EHD force increases almost linearly with increasing repetitive pulse frequency and becomes one order of magnitude larger than that driven by the sinusoidal voltage, which has the same peak-to-peak voltage.

Building an Open-source Simulation Platform of Acoustic Radiation Force-based Breast Elastography

PubMed Central

Wang, Yu; Peng, Bo; Jiang, Jingfeng

2017-01-01

Ultrasound-based elastography including strain elastography (SE), acoustic radiation force Impulse (ARFI) imaging, point shear wave elastography (pSWE) and supersonic shear imaging (SSI) have been used to differentiate breast tumors among other clinical applications. The objective of this study is to extend a previously published virtual simulation platform built for ultrasound quasi-static breast elastography toward acoustic radiation force-based breast elastography. Consequently, the extended virtual breast elastography simulation platform can be used to validate image pixels with known underlying soft tissue properties (i.e. “ground truth”) in complex, heterogeneous media, enhancing confidence in elastographic image interpretations. The proposed virtual breast elastography system inherited four key components from the previously published virtual simulation platform: an ultrasound simulator (Field II), a mesh generator (Tetgen), a finite element solver (FEBio) and a visualization and data processing package (VTK). Using a simple message passing mechanism, functionalities have now been extended to acoustic radiation force-based elastography simulations. Examples involving three different numerical breast models with increasing complexity – one uniform model, one simple inclusion model and one virtual complex breast model derived from magnetic resonance imaging data, were used to demonstrate capabilities of this extended virtual platform. Overall, simulation results were compared with the published results. In the uniform model, the estimated shear wave speed (SWS) values were within 4% compared to the predetermined SWS values. In the simple inclusion and the complex breast models, SWS values of all hard inclusions in soft backgrounds were slightly underestimated, similar to what has been reported. The elastic contrast values and visual observation show that ARFI images have higher spatial resolution, while SSI images can provide higher inclusion-to-background contrast. In summary, our initial results were consistent with our expectations and what have been reported in the literature. The proposed (open-source) simulation platform can serve as a single gateway to perform many elastographic simulations in a transparent manner, thereby promoting collaborative developments. PMID:28075330

Building an open-source simulation platform of acoustic radiation force-based breast elastography

NASA Astrophysics Data System (ADS)

Wang, Yu; Peng, Bo; Jiang, Jingfeng

2017-03-01

Ultrasound-based elastography including strain elastography, acoustic radiation force impulse (ARFI) imaging, point shear wave elastography and supersonic shear imaging (SSI) have been used to differentiate breast tumors among other clinical applications. The objective of this study is to extend a previously published virtual simulation platform built for ultrasound quasi-static breast elastography toward acoustic radiation force-based breast elastography. Consequently, the extended virtual breast elastography simulation platform can be used to validate image pixels with known underlying soft tissue properties (i.e. ‘ground truth’) in complex, heterogeneous media, enhancing confidence in elastographic image interpretations. The proposed virtual breast elastography system inherited four key components from the previously published virtual simulation platform: an ultrasound simulator (Field II), a mesh generator (Tetgen), a finite element solver (FEBio) and a visualization and data processing package (VTK). Using a simple message passing mechanism, functionalities have now been extended to acoustic radiation force-based elastography simulations. Examples involving three different numerical breast models with increasing complexity—one uniform model, one simple inclusion model and one virtual complex breast model derived from magnetic resonance imaging data, were used to demonstrate capabilities of this extended virtual platform. Overall, simulation results were compared with the published results. In the uniform model, the estimated shear wave speed (SWS) values were within 4% compared to the predetermined SWS values. In the simple inclusion and the complex breast models, SWS values of all hard inclusions in soft backgrounds were slightly underestimated, similar to what has been reported. The elastic contrast values and visual observation show that ARFI images have higher spatial resolution, while SSI images can provide higher inclusion-to-background contrast. In summary, our initial results were consistent with our expectations and what have been reported in the literature. The proposed (open-source) simulation platform can serve as a single gateway to perform many elastographic simulations in a transparent manner, thereby promoting collaborative developments.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Konapala, Goutam; Mishra, Ashok; Leung, L. Ruby

This study investigated the anthropogenic influence on the temporal variability of annual precipitation for the period 1950-2005 as simulated by the CMIP5 models. The temporal variability of both annual precipitation amount (PRCPTOT) and intensity (SDII) was first measured using a metric of statistical dispersion called the Gini coefficient. Comparing simulations driven by both anthropogenic and natural forcings (ALL) with simulations of natural forcings only (NAT), we quantified the anthropogenic contributions to the changes in temporal variability at global, continental and sub-continental scales as a relative difference of the respective Gini coefficients of ALL and NAT. Over the period of 1950-2005,more » our results indicate that anthropogenic forcings have resulted in decreased uniformity (i.e., increase in unevenness or disparity) in annual precipitation amount and intensity at global as well as continental scales. In addition, out of the 21 sub-continental regions considered, 14 (PRCPTOT) and 17 (SDII) regions showed significant anthropogenic influences. The human impacts are generally larger for SDII compared to PRCTOT, indicating that the temporal variability of precipitation intensity is generally more susceptible to anthropogenic influence than precipitation amount. Lastly, the results highlight that anthropogenic activities have changed not only the trends but also the temporal variability of annual precipitation, which underscores the need to develop effective adaptation management practices to address the increased disparity.« less

Interactive Ozone and Methane Chemistry in GISS-E2 Historical and Future Climate Simulations

NASA Technical Reports Server (NTRS)

Shindell, D. T.; Pechony, O.; Voulgarakis, A.; Faluvegi, G.; Nazarenko. L.; Lamarque, J.-F.; Bowman, K.; Milly, G.; Kovari, B.; Ruedy, R.;

Ice Load Project Final Technical Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCoy, Timothy J.; Brown, Thomas; Byrne, Alex

As interest and investment in offshore wind projects increase worldwide, some turbines will be installed in locations where ice of significant thickness forms on the water surface. This ice moves under the driving forces of wind, current, and thermal effects and may result in substantial forces on bottom-fixed support structures. The North and Baltic Seas in Europe have begun to see significant wind energy development and the Great Lakes of the United States and Canada may host wind energy development in the near future. Design of the support structures for these projects is best performed through the use of anmore » integrated tool that can calculate the cumulative effects of forces due to turbine operations, wind, waves, and floating ice. The dynamic nature of ice forces requires that these forces be included in the design simulations, rather than added as static forces to simulation results. The International Electrotechnical Commission (IEC) standard[2] for offshore wind turbine design and the International Organization for Standardization (ISO) standard[3] for offshore structures provide requirements and algorithms for the calculation of forces induced by surface ice; however, currently none of the major wind turbine dynamic simulation codes provides the ability to model ice loads. The scope of work of the project described in this report includes the development of a suite of subroutines, collectively named IceFloe, that meet the requirements of the IEC and ISO standards and couples with four of the major wind turbine dynamic simulation codes. The mechanisms by which ice forces impinge on offshore structures generally include the forces required for crushing of the ice against vertical-sided structures and the forces required to fracture the ice as it rides up on conical-sided structures. Within these two broad categories, the dynamic character of the forces with respect to time is also dependent on other factors such as the velocity and thickness of the moving ice and the response of the structure. In some cases, the dynamic effects are random and in other cases they are deterministic, such as the effect of structural resonance and coupling of the ice forces with the defection of the support structure. The initial versions of the IceFloe routines incorporate modules that address these varied force and dynamic phenomena with seven alternative algorithms that can be specified by the user. The IceFloe routines have been linked and tested with four major wind turbine aeroelastic simulation codes: FAST, a tool developed under the management of the National Renewable Energy Laboratory (NREL) and available free of charge from its web site; Bladed[4], a widely-used commercial package available from DNV GL; ADAMS[5], a general purpose multi-body simulation code used in the wind industry and available from MSC Software; and HAWC2[6], a code developed by and available for purchase from Danmarks Tekniske Universitet (DTU). Interface routines have been developed and tested with full wind turbine simulations for each of these codes and the source code and example inputs and outputs are available from the NREL website.« less

How to qualify and validate wear simulation devices and methods.

PubMed

Heintze, S D

2006-08-01

The clinical significance of increased wear can mainly be attributed to impaired aesthetic appearance and/or functional restrictions. Little is known about the systemic effects of swallowed or inhaled worn particles that derive from restorations. As wear measurements in vivo are complicated and time-consuming, wear simulation devices and methods had been developed without, however, systematically looking at the factors that influence important wear parameters. Wear simulation devices shall simulate processes that occur in the oral cavity during mastication, namely force, force profile, contact time, sliding movement, clearance of worn material, etc. Different devices that use different force actuator principles are available. Those with the highest citation frequency in the literature are - in descending order - the Alabama, ACTA, OHSU, Zurich and MTS wear simulators. When following the FDA guidelines on good laboratory practice (GLP) only the expensive MTS wear simulator is a qualified machine to test wear in vitro; the force exerted by the hydraulic actuator is controlled and regulated during all movements of the stylus. All the other simulators lack control and regulation of force development during dynamic loading of the flat specimens. This may be an explanation for the high coefficient of variation of the results in some wear simulators (28-40%) and the poor reproducibility of wear results if dental databases are searched for wear results of specific dental materials (difference of 22-72% for the same material). As most of the machines are not qualifiable, wear methods applying the machine may have a sound concept but cannot be validated. Only with the MTS method have wear parameters and influencing factors been documented and verified. A good compromise with regard to costs, practicability and robustness is the Willytec chewing simulator, which uses weights as force actuator and step motors for vertical and lateral movements. The Ivoclar wear method run on the Willytec machine shows a mean coefficient of variation in vertical wear of 12%. Force measurements have revealed that in the beginning of the stylus/specimen contact phase the force impulse is 3-4 times higher during dynamic loading than during static loading. When correlating material properties to the wear results of 23 composite resins subjected to the Ivoclar method, some parameters could be identified and incorporated into a wear formula to predict wear with the Ivoclar method. A round robin test evaluating the wear of ten dental materials with five wear simulation methods showed that the results were not comparable, as all methods follow different wear testing concepts. All wear methods lack the evidence of their clinical relevance because prospective studies correlating in vitro with long-term in vivo results with identical materials are not available. For direct restorative materials, amalgam seems to be a realistic reference material. For indirect, namely crown and bridge materials, low strength ceramic is appropriate.

Impacts of internal variability on temperature and precipitation trends in large ensemble simulations by two climate models

NASA Astrophysics Data System (ADS)

Dai, Aiguo; Bloecker, Christine E.

2018-02-01

It is known that internal climate variability (ICV) can influence trends seen in observations and individual model simulations over a period of decades. This makes it difficult to quantify the forced response to external forcing. Here we analyze two large ensembles of simulations from 1950 to 2100 by two fully-coupled climate models, namely the CESM1 and CanESM2, to quantify ICV's influences on estimated trends in annual surface air temperature (Tas) and precipitation (P) over different time periods. Results show that the observed trends since 1979 in global-mean Tas and P are within the spread of the CESM1-simulated trends while the CanESM2 overestimates the historical changes, likely due to its deficiencies in simulating historical non-CO2 forcing. Both models show considerable spreads in the Tas and P trends among the individual simulations, and the spreads decrease rapidly as the record length increases to about 40 (50) years for global-mean Tas (P). Because of ICV, local and regional P trends may remain statistically insignificant and differ greatly among individual model simulations over most of the globe until the later part of the twenty-first century even under a high emissions scenario, while local Tas trends since 1979 are already statistically significant over many low-latitude regions and are projected to become significant over most of the globe by the 2030s. The largest influences of ICV come from the Inter-decadal Pacific Oscillation and polar sea ice. In contrast to the realization-dependent ICV, the forced Tas response to external forcing has a temporal evolution that is similar over most of the globe (except its amplitude). For annual precipitation, however, the temporal evolution of the forced response is similar (opposite) to that of Tas over many mid-high latitude areas and the ITCZ (subtropical regions), but close to zero over the transition zones between the regions with positive and negative trends. The ICV in the transient climate change simulations is slightly larger than that in the control run for P (and other related variables such as water vapor), but similar for Tas. Thus, the ICV for P from a control run may need to be scaled up in detection and attribution analyses.

Effects of secondary loudspeaker properties on broadband feedforward active duct noise control.

PubMed

Chan, Yum-Ji; Huang, Lixi; Lam, James

2013-07-01

Dependence of the performance of feedforward active duct noise control on secondary loudspeaker parameters is investigated. Noise reduction performance can be improved if the force factor of the secondary loudspeaker is higher. For example, broadband noise reduction improvement up to 1.6 dB is predicted by increasing the force factor by 50%. In addition, a secondary loudspeaker with a larger force factor was found to have quicker convergence in the adaptive algorithm in experiment. In simulations, noise reduction is improved in using an adaptive algorithm by using a secondary loudspeaker with a heavier moving mass. It is predicted that an extra broadband noise reduction of more than 7 dB can be gained using an adaptive filter if the force factor, moving mass and coil inductance of a commercially available loudspeaker are doubled. Methods to increase the force factor beyond those of commercially available loudspeakers are proposed.

Computer simulation of earthquakes

NASA Technical Reports Server (NTRS)

Cohen, S. C.

1976-01-01

Two computer simulation models of earthquakes were studied for the dependence of the pattern of events on the model assumptions and input parameters. Both models represent the seismically active region by mechanical blocks which are connected to one another and to a driving plate. The blocks slide on a friction surface. In the first model elastic forces were employed and time independent friction to simulate main shock events. The size, length, and time and place of event occurrence were influenced strongly by the magnitude and degree of homogeniety in the elastic and friction parameters of the fault region. Periodically reoccurring similar events were frequently observed in simulations with near homogeneous parameters along the fault, whereas, seismic gaps were a common feature of simulations employing large variations in the fault parameters. The second model incorporated viscoelastic forces and time-dependent friction to account for aftershock sequences. The periods between aftershock events increased with time and the aftershock region was confined to that which moved in the main event.

Benchmark tests for a Formula SAE Student car prototyping

NASA Astrophysics Data System (ADS)

Mariasiu, Florin

2011-12-01

Aerodynamic characteristics of a vehicle are important elements in its design and construction. A low drag coefficient brings significant fuel savings and increased engine power efficiency. In designing and developing vehicles trough computer simulation process to determine the vehicles aerodynamic characteristics are using dedicated CFD (Computer Fluid Dynamics) software packages. However, the results obtained by this faster and cheaper method, are validated by experiments in wind tunnels tests, which are expensive and were complex testing equipment are used in relatively high costs. Therefore, the emergence and development of new low-cost testing methods to validate CFD simulation results would bring great economic benefits for auto vehicles prototyping process. This paper presents the initial development process of a Formula SAE Student race-car prototype using CFD simulation and also present a measurement system based on low-cost sensors through which CFD simulation results were experimentally validated. CFD software package used for simulation was Solid Works with the FloXpress add-on and experimental measurement system was built using four piezoresistive force sensors FlexiForce type.

An intercomparison of GCM and RCM dynamical downscaling for characterizing the hydroclimatology of California and Nevada

NASA Astrophysics Data System (ADS)

Xu, Z.; Rhoades, A.; Johansen, H.; Ullrich, P. A.; Collins, W. D.

2017-12-01

Dynamical downscaling is widely used to properly characterize regional surface heterogeneities that shape the local hydroclimatology. However, the factors in dynamical downscaling, including the refinement of model horizontal resolution, large-scale forcing datasets and dynamical cores, have not been fully evaluated. Two cutting-edge global-to-regional downscaling methods are used to assess these, specifically the variable-resolution Community Earth System Model (VR-CESM) and the Weather Research & Forecasting (WRF) regional climate model, under different horizontal resolutions (28, 14, and 7 km). Two groups of WRF simulations are driven by either the NCEP reanalysis dataset (WRF_NCEP) or VR-CESM outputs (WRF_VRCESM) to evaluate the effects of the large-scale forcing datasets. The impacts of dynamical core are assessed by comparing the VR-CESM simulations to the coupled WRF_VRCESM simulations with the same physical parameterizations and similar grid domains. The simulated hydroclimatology (i.e., total precipitation, snow cover, snow water equivalent and surface temperature) are compared with the reference datasets. The large-scale forcing datasets are critical to the WRF simulations in more accurately simulating total precipitation, SWE and snow cover, but not surface temperature. Both the WRF and VR-CESM results highlight that no significant benefit is found in the simulated hydroclimatology by just increasing horizontal resolution refinement from 28 to 7 km. Simulated surface temperature is sensitive to the choice of dynamical core. WRF generally simulates higher temperatures than VR-CESM, alleviates the systematic cold bias of DJF temperatures over the California mountain region, but overestimates the JJA temperature in California's Central Valley.

Mechanism of ENSO influence on the South Asian monsoon rainfall in global model simulations

NASA Astrophysics Data System (ADS)

Joshi, Sneh; Kar, Sarat C.

2018-02-01

Coupled ocean atmosphere global climate models are increasingly being used for seasonal scale simulation of the South Asian monsoon. In these models, sea surface temperatures (SSTs) evolve as coupled air-sea interaction process. However, sensitivity experiments with various SST forcing can only be done in an atmosphere-only model. In this study, the Global Forecast System (GFS) model at T126 horizontal resolution has been used to examine the mechanism of El Niño-Southern Oscillation (ENSO) forcing on the monsoon circulation and rainfall. The model has been integrated (ensemble) with observed, climatological and ENSO SST forcing to document the mechanism on how the South Asian monsoon responds to basin-wide SST variations in the Indian and Pacific Oceans. The model simulations indicate that the internal variability gets modulated by the SSTs with warming in the Pacific enhancing the ensemble spread over the monsoon region as compared to cooling conditions. Anomalous easterly wind anomalies cover the Indian region both at 850 and 200 hPa levels during El Niño years. The locations and intensity of Walker and Hadley circulations are altered due to ENSO SST forcing. These lead to reduction of monsoon rainfall over most parts of India during El Niño events compared to La Niña conditions. However, internally generated variability is a major source of uncertainty in the model-simulated climate.

Turbulence- and particle-resolved modeling of self-formed channels

NASA Astrophysics Data System (ADS)

Schmeeckle, M. W.

2016-12-01

A numerical model is presented that combines a large eddy simulation (LES) of turbulent water motion and a discrete element method (DEM) simulation of all sediment particles forming a small alluvial river. All simulations are begun with a relatively narrow and deep channel and a constant body force is applied to the fluid. At very small applied force at the critical shear stress for sediment motion the channel becomes wider and shallower. Transport on the banks becomes very small with larger transport at the center of the channel. However, even the very small bank transport resulted in continued net downslope motion and channel widening; bedload diffusion from higher transport areas of the channel is not sufficient to counteract downslope transport. This simulation will be extended over much longer times to determine whether an equilibrium straight channel with transport is possible without varying the water discharge. Simulations at slightly higher fluid forcing results in the development of alternate bars. Particle size segregation occurs in all simulations at multiple scales. At the smallest scale, turbulent structures induce small scale depressions; larger particles preferentially move to lower elevations of the depressions. Sloping beds at banks and bars also increase size segregation. However, bar translation mixes segregated sediments. Granular modeling of river channels appears to be a fruitful method for testing and developing continuum ideas of channel pattern formation and size segregation.

Turbulence-and particle-resolved modeling of self-formed channels

NASA Astrophysics Data System (ADS)

Schmeeckle, M. W.

2017-12-01

A numerical model is presented that combines a large eddy simulation (LES) of turbulent water motion and a discrete element method (DEM) simulation of all sediment particles forming a small alluvial river. All simulations are begun with a relatively narrow and deep channel and a constant body force is applied to the fluid. At very small applied force at the critical shear stress for sediment motion the channel becomes wider and shallower. Transport on the banks becomes very small with larger transport at the center of the channel. However, even the very small bank transport resulted in continued net downslope motion and channel widening; bedload diffusion from higher transport areas of the channel is not sufficient to counteract downslope transport. This simulation will be extended over much longer times to determine whether an equilibrium straight channel with transport is possible without varying the water discharge. Simulations at slightly higher fluid forcing results in the development of alternate bars. Particle size segregation occurs in all simulations at multiple scales. At the smallest scale, turbulent structures induce small scale depressions; larger particles preferentially move to lower elevations of the depressions. Sloping beds at banks and bars also increase size segregation. However, bar translation mixes segregated sediments. Granular modeling of river channels appears to be a fruitful method for testing and developing continuum ideas of channel pattern formation and size segregation.

A parametric experimental investigation of a scramjet nozzle at Mach 6 with Freon and argon or air used for exhaust simulation

NASA Technical Reports Server (NTRS)

Cubbage, James M.; Monta, William J.

1991-01-01

A parametric experimental investigation of a scramjet nozzle was conducted with a gas mixture used to simulate the scramjet engine exhaust flow at a free-stream Reynolds number of approximately 6.5 x 10(exp 6) per foot. External nozzle surface angles of 16, 20, and 24 deg were tested with a fixed-length ramp and for cowl internal surface angles of 6 and 12 deg. Pressure data on the external nozzle surface were obtained for mixtures of Freon and argon gases with a ratio of specific heats of about 1.23, which matches that of a scramjet exhaust. Forces and moments were determined by integration of the pressure data. Two nozzle configurations were also tested with air used to simulate the exhaust flow. On the external nozzle surface, lift and thrust forces for air exhaust simulation were approximately half of those for Freon-argon exhaust simulation and the pitching moment was approximately a third. These differences were primarily due to the difference in the ratios of specific heats between the two exhaust simulation gases. A 20 deg external surface angle produced the greatest thrust for a 6 deg cowl internal surface angle. A flow fence significantly increased lift and thrust forces over those for the nozzle without a flow fence.

Aerosol-driven increase in Arctic sea ice over the middle of the twentieth century

NASA Astrophysics Data System (ADS)

Gagné, Marie-Ève; Fyfe, John C.; Gillett, Nathan P.; Polyakov, Igor V.; Flato, Gregory M.

2017-07-01

Updated observational data sets without climatological infilling show that there was an increase in sea ice concentration in the eastern Arctic between 1950 and 1975, contrary to earlier climatology infilled observational data sets that show weak interannual variations during that time period. We here present climate model simulations showing that this observed sea ice concentration increase was primarily a consequence of cooling induced by increasing anthropogenic aerosols and natural forcing. Indeed, sulphur dioxide emissions, which lead to the formation of sulphate aerosols, peaked around 1980 causing a sharp increase in the burden of sulphate between the 1950s and 1970s; but since 1980, the burden has dropped. Our climate model simulations show that the cooling contribution of aerosols offset the warming effect of increasing greenhouse gases over the midtwentieth century resulting in the expansion of the Arctic sea ice cover. These results challenge the perception that Arctic sea ice extent was unperturbed by human influence until the 1970s, suggesting instead that it exhibited earlier forced multidecadal variations, with implications for our understanding of impacts and adaptation in human and natural Arctic systems.

Changes of loading tensile force-stretch relationships of rabbit mesenteric vein after 21 days of head-down rest

NASA Astrophysics Data System (ADS)

Yao, Yong-Jie; Sun, Hui-Pin; Yue, Yong; Sun, Xi-Qing; Wu, Xing-Yu

Changes of venous compliance may contribute to postflight orthostatic intolerance; however, direct animal studies to address the changes of venous compliance to microgravity have been rare. The purpose of this study was to determine compliance changes of mesenteric veins of rabbits after 21 days of head-down rest (HDR). Twenty-four healthy male New Zealand Rabbits were randomly divided into 21 days of HDR group, horizontal immobilization group (HIG) and control group (Ctrl), with eight in each. Loading tensile force-stretch relationships of mesenteric vein segments were constructed after 21 d HDR. With the increase of loading tensile force, both longitudinal and circumferential stretches of vein samples increased significantly. Under the same loading tensile force, mesenteric vein of the HDR showed significant increase both in circumferential stretch and longitudinal stretches compared to those of Ctrl group and HIG group. These results indicate that, a 21-day simulated weightlessness leads to increase of mesenteric venous compliance.

Vortex-induced vibration of two parallel risers: Experimental test and numerical simulation

NASA Astrophysics Data System (ADS)

Huang, Weiping; Zhou, Yang; Chen, Haiming

2016-04-01

The vortex-induced vibration of two identical rigidly mounted risers in a parallel arrangement was studied using Ansys- CFX and model tests. The vortex shedding and force were recorded to determine the effect of spacing on the two-degree-of-freedom oscillation of the risers. CFX was used to study the single riser and two parallel risers in 2-8 D spacing considering the coupling effect. Because of the limited width of water channel, only three different riser spacings, 2 D, 3 D, and 4 D, were tested to validate the characteristics of the two parallel risers by comparing to the numerical simulation. The results indicate that the lift force changes significantly with the increase in spacing, and in the case of 3 D spacing, the lift force of the two parallel risers reaches the maximum. The vortex shedding of the risers in 3 D spacing shows that a variable velocity field with the same frequency as the vortex shedding is generated in the overlapped area, thus equalizing the period of drag force to that of lift force. It can be concluded that the interaction between the two parallel risers is significant when the risers are brought to a small distance between them because the trajectory of riser changes from oval to curve 8 as the spacing is increased. The phase difference of lift force between the two risers is also different as the spacing changes.

Reduced anthropogenic aerosol radiative forcing caused by biogenic new particle formation

PubMed Central

Sengupta, Kamalika; Duplissy, Jonathan; Frege, Carla; Williamson, Christina; Heinritzi, Martin; Simon, Mario; Yan, Chao; Almeida, João; Tröstl, Jasmin; Nieminen, Tuomo; Ortega, Ismael K.; Wagner, Robert; Dunne, Eimear M.; Adamov, Alexey; Amorim, Antonio; Bernhammer, Anne-Kathrin; Bianchi, Federico; Breitenlechner, Martin; Brilke, Sophia; Chen, Xuemeng; Craven, Jill S.; Dias, Antonio; Ehrhart, Sebastian; Fischer, Lukas; Flagan, Richard C.; Franchin, Alessandro; Fuchs, Claudia; Guida, Roberto; Hakala, Jani; Hoyle, Christopher R.; Jokinen, Tuija; Junninen, Heikki; Kangasluoma, Juha; Kim, Jaeseok; Krapf, Manuel; Kürten, Andreas; Laaksonen, Ari; Lehtipalo, Katrianne; Makhmutov, Vladimir; Mathot, Serge; Molteni, Ugo; Monks, Sarah A.; Onnela, Antti; Peräkylä, Otso; Piel, Felix; Petäjä, Tuukka; Praplan, Arnaud P.; Pringle, Kirsty J.; Richards, Nigel A. D.; Rissanen, Matti P.; Rondo, Linda; Sarnela, Nina; Scott, Catherine E.; Seinfeld, John H.; Sharma, Sangeeta; Sipilä, Mikko; Steiner, Gerhard; Stozhkov, Yuri; Stratmann, Frank; Tomé, Antonio; Virtanen, Annele; Vogel, Alexander Lucas; Wagner, Andrea C.; Wagner, Paul E.; Weingartner, Ernest; Wimmer, Daniela; Winkler, Paul M.; Ye, Penglin; Zhang, Xuan; Hansel, Armin; Worsnop, Douglas R.; Baltensperger, Urs; Kulmala, Markku; Curtius, Joachim

2016-01-01

The magnitude of aerosol radiative forcing caused by anthropogenic emissions depends on the baseline state of the atmosphere under pristine preindustrial conditions. Measurements show that particle formation in atmospheric conditions can occur solely from biogenic vapors. Here, we evaluate the potential effect of this source of particles on preindustrial cloud condensation nuclei (CCN) concentrations and aerosol–cloud radiative forcing over the industrial period. Model simulations show that the pure biogenic particle formation mechanism has a much larger relative effect on CCN concentrations in the preindustrial atmosphere than in the present atmosphere because of the lower aerosol concentrations. Consequently, preindustrial cloud albedo is increased more than under present day conditions, and therefore the cooling forcing of anthropogenic aerosols is reduced. The mechanism increases CCN concentrations by 20–100% over a large fraction of the preindustrial lower atmosphere, and the magnitude of annual global mean radiative forcing caused by changes of cloud albedo since 1750 is reduced by 0.22 W m−2 (27%) to −0.60 W m−2. Model uncertainties, relatively slow formation rates, and limited available ambient measurements make it difficult to establish the significance of a mechanism that has its dominant effect under preindustrial conditions. Our simulations predict more particle formation in the Amazon than is observed. However, the first observation of pure organic nucleation has now been reported for the free troposphere. Given the potentially significant effect on anthropogenic forcing, effort should be made to better understand such naturally driven aerosol processes. PMID:27790989

Reduced anthropogenic aerosol radiative forcing caused by biogenic new particle formation

NASA Astrophysics Data System (ADS)

Gordon, Hamish; Sengupta, Kamalika; Rap, Alexandru; Duplissy, Jonathan; Frege, Carla; Williamson, Christina; Heinritzi, Martin; Simon, Mario; Yan, Chao; Almeida, João; Tröstl, Jasmin; Nieminen, Tuomo; Ortega, Ismael K.; Wagner, Robert; Dunne, Eimear M.; Adamov, Alexey; Amorim, Antonio; Bernhammer, Anne-Kathrin; Bianchi, Federico; Breitenlechner, Martin; Brilke, Sophia; Chen, Xuemeng; Craven, Jill S.; Dias, Antonio; Ehrhart, Sebastian; Fischer, Lukas; Flagan, Richard C.; Franchin, Alessandro; Fuchs, Claudia; Guida, Roberto; Hakala, Jani; Hoyle, Christopher R.; Jokinen, Tuija; Junninen, Heikki; Kangasluoma, Juha; Kim, Jaeseok; Kirkby, Jasper; Krapf, Manuel; Kürten, Andreas; Laaksonen, Ari; Lehtipalo, Katrianne; Makhmutov, Vladimir; Mathot, Serge; Molteni, Ugo; Monks, Sarah A.; Onnela, Antti; Peräkylä, Otso; Piel, Felix; Petäjä, Tuukka; Praplan, Arnaud P.; Pringle, Kirsty J.; Richards, Nigel A. D.; Rissanen, Matti P.; Rondo, Linda; Sarnela, Nina; Schobesberger, Siegfried; Scott, Catherine E.; Seinfeld, John H.; Sharma, Sangeeta; Sipilä, Mikko; Steiner, Gerhard; Stozhkov, Yuri; Stratmann, Frank; Tomé, Antonio; Virtanen, Annele; Vogel, Alexander Lucas; Wagner, Andrea C.; Wagner, Paul E.; Weingartner, Ernest; Wimmer, Daniela; Winkler, Paul M.; Ye, Penglin; Zhang, Xuan; Hansel, Armin; Dommen, Josef; Donahue, Neil M.; Worsnop, Douglas R.; Baltensperger, Urs; Kulmala, Markku; Curtius, Joachim; Carslaw, Kenneth S.

2016-10-01

The magnitude of aerosol radiative forcing caused by anthropogenic emissions depends on the baseline state of the atmosphere under pristine preindustrial conditions. Measurements show that particle formation in atmospheric conditions can occur solely from biogenic vapors. Here, we evaluate the potential effect of this source of particles on preindustrial cloud condensation nuclei (CCN) concentrations and aerosol-cloud radiative forcing over the industrial period. Model simulations show that the pure biogenic particle formation mechanism has a much larger relative effect on CCN concentrations in the preindustrial atmosphere than in the present atmosphere because of the lower aerosol concentrations. Consequently, preindustrial cloud albedo is increased more than under present day conditions, and therefore the cooling forcing of anthropogenic aerosols is reduced. The mechanism increases CCN concentrations by 20-100% over a large fraction of the preindustrial lower atmosphere, and the magnitude of annual global mean radiative forcing caused by changes of cloud albedo since 1750 is reduced by 0.22 W m-2 (27%) to -0.60 W m-2. Model uncertainties, relatively slow formation rates, and limited available ambient measurements make it difficult to establish the significance of a mechanism that has its dominant effect under preindustrial conditions. Our simulations predict more particle formation in the Amazon than is observed. However, the first observation of pure organic nucleation has now been reported for the free troposphere. Given the potentially significant effect on anthropogenic forcing, effort should be made to better understand such naturally driven aerosol processes.

Minor loop dependence of the magnetic forces and stiffness in a PM-HTS levitation system

NASA Astrophysics Data System (ADS)

Yang, Yong; Li, Chengshan

2017-12-01

Based upon the method of current vector potential and the critical state model of Bean, the vertical and lateral forces with different sizes of minor loop are simulated in two typical cooling conditions when a rectangular permanent magnet (PM) above a cylindrical high temperature superconductor (HTS) moves vertically and horizontally. The different values of average magnetic stiffness are calculated by various sizes of minor loop changing from 0.1 to 2 mm. The magnetic stiffness with zero traverse is obtained by using the method of linear extrapolation. The simulation results show that the extreme values of forces decrease with increasing size of minor loop. The magnetic hysteresis of the force curves also becomes small as the size of minor loop increases. This means that the vertical and lateral forces are significantly influenced by the size of minor loop because the forces intensely depend on the moving history of the PM. The vertical stiffness at every vertical position when the PM vertically descends to 1 mm is larger than that as the PM vertically ascents to 30 mm. When the PM moves laterally, the lateral stiffness during the PM passing through any horizontal position in the first time almost equal to the value during the PM passing through the same position in the second time in zero-field cooling (ZFC), however, the lateral stiffness in field cooling (FC) and the cross stiffness in ZFC and FC are significantly affected by the moving history of the PM.

Effect of ionization on the oxidation kinetics of aluminum nanoparticles

NASA Astrophysics Data System (ADS)

Zheng, Yao-Ting; He, Min; Cheng, Guang-xu; Zhang, Zaoxiao; Xuan, Fu-Zhen; Wang, Zhengdong

2018-03-01

Molecular dynamics simulation (MD) of the observed stepwise oxidation of core-shell structured Al/Al2O3 nanoparticles is presented. Different from the metal ion hopping process in the Cabrera-Mott model, which is assumed to occur only at a certain distance from the oxide layer, the MD simulation shows that Al atoms jump over various interfacial gaps directly under the thermal driving force. The energy barrier for Al ionization is found to be increased along with the enlargement of interfacial gap. A mechanism of competition between thermal driving force and ionization potential barrier is proposed in the interpretation of stepwise oxidation behavior.

The Role of Molecular Dynamics Potential of Mean Force Calculations in the Investigation of Enzyme Catalysis.

PubMed

Yang, Y; Pan, L; Lightstone, F C; Merz, K M

2016-01-01

The potential of mean force simulations, widely applied in Monte Carlo or molecular dynamics simulations, are useful tools to examine the free energy variation as a function of one or more specific reaction coordinate(s) for a given system. Implementation of the potential of mean force in the simulations of biological processes, such as enzyme catalysis, can help overcome the difficulties of sampling specific regions on the energy landscape and provide useful insights to understand the catalytic mechanism. The potential of mean force simulations usually require many, possibly parallelizable, short simulations instead of a few extremely long simulations and, therefore, are fairly manageable for most research facilities. In this chapter, we provide detailed protocols for applying the potential of mean force simulations to investigate enzymatic mechanisms for several different enzyme systems. © 2016 Elsevier Inc. All rights reserved.

Divergence compensation for hardware-in-the-loop simulation of stiffness-varying discrete contact in space

NASA Astrophysics Data System (ADS)

Qi, Chenkun; Zhao, Xianchao; Gao, Feng; Ren, Anye; Hu, Yan

2016-11-01

The hardware-in-the-loop (HIL) contact simulation for flying objects in space is challenging due to the divergence caused by the time delay. In this study, a divergence compensation approach is proposed for the stiffness-varying discrete contact. The dynamic response delay of the motion simulator and the force measurement delay are considered. For the force measurement delay, a phase lead based force compensation approach is used. For the dynamic response delay of the motion simulator, a response error based force compensation approach is used, where the compensation force is obtained from the real-time identified contact stiffness and real-time measured position response error. The dynamic response model of the motion simulator is not required. The simulations and experiments show that the simulation divergence can be compensated effectively and satisfactorily by using the proposed approach.

Thermophoretic transport of water nanodroplets confined in carbon nanotubes: The role of friction

NASA Astrophysics Data System (ADS)

Oyarzua, Elton; Walther, Jens H.; Zambrano, Harvey A.

2017-11-01

The development of efficient nanofluidic devices requires driving mechanisms that provide controlled transport of fluids through nanoconduits. Temperature gradients have been proposed as a mechanism to drive particles, fullerenes and nanodroplets inside carbon nanotubes (CNTs). In this work, molecular dynamics (MD) simulations are conducted to study thermophoresis of water nanodroplets inside CNTs. To gain insight into the interplay between the thermophoretic force acting on the droplet and the retarding liquid-solid friction, sets of constrained and unconstrained MD simulations are conducted. The results indicate that the thermophoretic motion of a nanodroplet displays two kinetic regimes: an initial regime characterized by a decreasing acceleration and afterwards a terminal regime with constant velocity. During the initial regime, the magnitude of the friction force increases linearly with the droplet velocity whereas the thermophoretic force has a constant magnitude defined by the magnitude of the thermal gradient and the droplet size. Subsequently, in the terminal regime, the droplet moves at constant velocity due to a dynamic balance between the thermophoretic force and the retarding friction force. We acknowledge partial support from CONICYT (Chile) under scholarship No. 21140427.

Mechanical response and buckling of a polymer simulation model of the cell nucleus

NASA Astrophysics Data System (ADS)

Banigan, Edward; Stephens, Andrew; Marko, John

The cell nucleus must robustly resist extra- and intracellular forces to maintain genome architecture. Micromanipulation experiments measuring nuclear mechanical response reveal that the nucleus has two force response regimes: a linear short-extension response due to the chromatin interior and a stiffer long-extension response from lamin A, comprising the intermediate filament protein shell. To explain these results, we developed a quantitative simulation model with realistic parameters for chromatin and the lamina. Our model predicts that crosslinking between chromatin and the lamina is essential for responding to small strains and that changes to the interior topological organization can alter the mechanical response of the whole nucleus. Thus, chromatin polymer elasticity, not osmotic pressure, is the dominant regulator of this force response. Our model reveals a novel buckling transition for polymer shells: as force increases, the shell buckles transverse to the applied force. This transition, which arises from topological constrains in the lamina, can be mitigated by tuning the properties of the chromatin interior. Thus, we find that the genome is a resistive mechanical element that can be tuned by its organization and connectivity to the lamina.

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

NASA Astrophysics Data System (ADS)

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-10-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into "alpha helix" and "beta sheet" structures. The 5-residue polyalanine displays a substantial increase in the "beta strand" fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling.

Changing transport processes in the stratosphere by radiative heating of sulfate aerosols

NASA Astrophysics Data System (ADS)

Niemeier, Ulrike; Schmidt, Hauke

2017-12-01

The injection of sulfur dioxide (SO2) into the stratosphere to form an artificial stratospheric aerosol layer is discussed as an option for solar radiation management. Sulfate aerosol scatters solar radiation and absorbs infrared radiation, which warms the stratospheric sulfur layer. Simulations with the general circulation model ECHAM5-HAM, including aerosol microphysics, show consequences of this warming, including changes of the quasi-biennial oscillation (QBO) in the tropics. The QBO slows down after an injection of 4 Tg(S) yr-1 and completely shuts down after an injection of 8 Tg(S) yr-1. Transport of species in the tropics and sub-tropics depends on the phase of the QBO. Consequently, the heated aerosol layer not only impacts the oscillation of the QBO but also the meridional transport of the sulfate aerosols. The stronger the injection, the stronger the heating and the simulated impact on the QBO and equatorial wind systems. With increasing injection rate the velocity of the equatorial jet streams increases, and the less sulfate is transported out of the tropics. This reduces the global distribution of sulfate and decreases the radiative forcing efficiency of the aerosol layer by 10 to 14 % compared to simulations with low vertical resolution and without generated QBO. Increasing the height of the injection increases the radiative forcing only for injection rates below 10 Tg(S) yr-1 (8-18 %), a much smaller value than the 50 % calculated previously. Stronger injection rates at higher levels even result in smaller forcing than the injections at lower levels.

The influence of high-heeled shoes on strain and tension force of the anterior talofibular ligament and plantar fascia during balanced standing and walking.

PubMed

Yu, Jia; Wong, Duo Wai-Chi; Zhang, Hongtao; Luo, Zong-Ping; Zhang, Ming

2016-10-01

High-heeled shoes have the capability to alter the strain and tension of ligamentous structures between the foot and ankle, which may result in ankle instability. However, high-heeled shoes can also reduce the strain on plantar fascia, which may be beneficial for the treatment of plantar fasciitis. In this study, the influence of heel height on strain and tension force applied to the anterior talofibular ligament (ATL) and plantar fascia were investigated. A three-dimensional finite element model of coupled foot-ankle-shoe complex was constructed. Four heel heights were studied in balanced standing: 0 in. (0cm), 1 in. (2.54cm), 2 in. (5.08cm), and 3 in. (7.62cm). A walking analysis was performed using 2-in. (5.08cm) high-heeled shoes. During balanced standing, the tension force on the ATL increased from 14.8N to 97.0N, with a six-fold increase in strain from 0 in. to 3 in. (0-7.62cm). The tension force and the average strain on the plantar fascia decreased from 151.0N (strain: 0.74%) to 59.6N (strain: 0.28%) when the heel height increased from 0 in. to 2 in. (0-5.08cm). When heel height reached 3 in. (7.62cm), the force and average strain increased to 278.3N (strain: 1.33%). The walking simulation showed that the fascia stretched out while the ATL loading decreased during push off. The simulation outcome demonstrated the influence of heel height on ATL alteration and plantar fascia strain, which implies risks for ankle injury and suggests guidance for the treatment of plantar fasciitis. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Lu; Hanson, David E

Here we present the results on the study of surface properties of {beta}-HMX crystal utilizing molecular simulations. The surface polarity of three principal crystal surfaces are investigated by measuring the water contact angles. The calculated contact angles agree excellently with the values measured by experiment and show that the surface polarity of three crystal surfaces are different. The free energies and forces of detaching an Estane chain with and without nitroplasticizer from the three principal crystal surfaces were calculated using umbrella sampling technique. We find that the detaching free energy/force increases with the increasing HMX surface polarity. In addition, ourmore » results also show that nitroplasticizer plays an important role in the adhesion forces between Estane and HMX surfaces.« less

From the track to the ocean: Using flow control to improve marine bio-logging tags for cetaceans

PubMed Central

Fiore, Giovani; Anderson, Erik; Garborg, C. Spencer; Murray, Mark; Johnson, Mark; Moore, Michael J.; Howle, Laurens

2017-01-01

Bio-logging tags are an important tool for the study of cetaceans, but superficial tags inevitably increase hydrodynamic loading. Substantial forces can be generated by tags on fast-swimming animals, potentially affecting behavior and energetics or promoting early tag removal. Streamlined forms have been used to reduce loading, but these designs can accelerate flow over the top of the tag. This non-axisymmetric flow results in large lift forces (normal to the animal) that become the dominant force component at high speeds. In order to reduce lift and minimize total hydrodynamic loading this work presents a new tag design (Model A) that incorporates a hydrodynamic body, a channel to reduce fluid speed differences above and below the housing and wing to redirect flow to counter lift. Additionally, three derivatives of the Model A design were used to examine the contribution of individual flow control features to overall performance. Hydrodynamic loadings of four models were compared using computational fluid dynamics (CFD). The Model A design eliminated all lift force and generated up to ~30 N of downward force in simulated 6 m/s aligned flow. The simulations were validated using particle image velocimetry (PIV) to experimentally characterize the flow around the tag design. The results of these experiments confirm the trends predicted by the simulations and demonstrate the potential benefit of flow control elements for the reduction of tag induced forces on the animal. PMID:28196148

Effect of ACL graft material on anterior knee force during simulated in vivo ovine motion applied to the porcine knee: An in vitro examination of force during 2000 cycles.

PubMed

Boguszewski, Daniel V; Wagner, Christopher T; Butler, David L; Shearn, Jason T

2015-12-01

This study determined how anterior cruciate ligament (ACL) reconstruction affected the magnitude and temporal patterns of anterior knee force and internal knee moment during 2000 cycles of simulated gait. Porcine knees were tested using a six degree-of-freedom robot, examining three porcine allograft materials compared with the native ACL. Reconstructions were performed using: (1) bone-patellar tendon-bone allograft (BPTB), (2) reconstructive porcine tissue matrix (RTM), or (3) an RTM-polymer hybrid construct (Hybrid). Forces and moments were measured over the entire gait cycle and contrasted at heel strike, mid stance, toe off, and peak flexion. The Hybrid construct performed the best, as magnitude and temporal changes in both anterior knee force and internal knee moment were not different from the native ACL knee. Conversely, the RTM knees showed greater loss in anterior knee force during 2000 cycles than the native ACL knee at heel strike and toe off, with an average force loss of 46%. BPTB knees performed the least favorably, with significant loss in anterior knee force at all key points and an average force loss of 61%. This is clinically relevant, as increases in post-operative knee laxity are believed to play a role in graft failure and early onset osteoarthritis. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Some Factors Influencing Air Force Simulator Training Effectiveness. Technical Report.

ERIC Educational Resources Information Center

Caro, Paul W.

A study of U.S. Air Force simulator training was conducted to identify factors that influence the effectiveness of such training and to learn how its effectiveness is being determined. The research consisted of a survey of ten representative Air Force simulator training programs and a review of the simulator training research literature. A number…

Modeling of the rough spherical nanoparticles manipulation on a substrate based on the AFM nanorobot

NASA Astrophysics Data System (ADS)

Zakeri, M.; Faraji, J.

2014-12-01

In this paper, dynamic behavior of the rough spherical micro/nanoparticles during pulling/pushing on the flat substrate has been investigated and analyzed. For this purpose, at first, two hexagonal roughness models (George and Cooper) were studied and then evaluations for adhesion force were determined for rough particle manipulation on flat substrate. These two models were then changed by using of the Rabinovich theory. Evaluations were determined for contact adhesion force between rough particle and flat substrate; depth of penetration evaluations were determined by the Johnson-Kendall-Roberts contact mechanic theory and the Schwartz method and according to Cooper and George roughness models. Then, the novel contact theory was used to determine a dynamic model for rough micro/nanoparticle manipulation on flat substrate. Finally, simulation of particle dynamic behavior was implemented during pushing of rough spherical gold particles with radii of 50, 150, 400, 600, and 1,000 nm. Results derived from simulations of particles with several rates of roughness on flat substrate indicated that compared to results for flat particles, inherent roughness on particles might reduce the rate of critical force needed for sliding and rolling given particles. Given a fixed radius for roughness value and increased roughness height, evaluations for sliding and rolling critical forces showed greater reduction. Alternately, the rate of critical force was shown to reduce relative to an increased roughness radius. With respect to both models, based on the George roughness model, the predicted rate of adhesion force was greater than that determined in the Cooper roughness model, and as a result, the predicted rate of critical force based on the George roughness model was closer to the critical force value of flat particle.

Radiative Forcing by Well-Mixed Greenhouse Gases: Estimates from Climate Models in the Intergovernmental Panel on Climate Change (IPCC) Fourth Assessment Report (AR4)

NASA Technical Reports Server (NTRS)

Collins, W. D.; Ramaswamy, V.; Schwarzkopf, M. D.; Sun, Y.; Portmann, R. W.; Fu, Q.; Casanova, S. E. B.; Dufresne, J.-L.; Fillmore, D. W.; Forster, P. M. D.;

Simulation of shear thickening in attractive colloidal suspensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pednekar, Sidhant; Chun, Jaehun; Morris, Jeffrey F.

2017-01-01

The influence of attractive forces between particles under conditions of large particle volume fraction is addressed using numerical simulations which account for hydrodynamic, Brownian, conservative and frictional contact forces. The focus is on conditions for which a significant increase in the apparent viscosity at small shear rates, and possibly the development of a yield stress, is observed. The high shear rate behavior for Brownian suspensions has been shown in recent work [R. Mari, R. Seto, J. F. Morris & M. M. Denn, PNAS, 2015, 112, 15326-15330] to be captured by the inclusion of pairwise forces of two forms, one amore » contact frictional interaction and the second a repulsive force common in stabilized colloidal dispersions. Under such conditions, shear thickening is observed when shear stress is comparable to the sum of the Brownian stress and a characteristic stress based on the combination of interparticle force with kT the thermal energy. At sufficiently large volume fraction, this shear thickening can be very abrupt. Here it is shown that when attractive interactions are present with the noted forces, the shear thickening is obscured, as the viscosity shear thins with increasing shear rate, eventually descending from an infinite value (yield stress conditions) to a plateau at large stress; this plateau is at the same level as the large-shear rate viscosity found in the shear thickened state without attractive forces. It is shown that this behavior is consistent with prior observations in shear thickening suspensions modified to be attractive through depletion flocculation [V. Gopalakrishnan & C. F. Zukoski J. Rheol., 2004, 48, 1321-1344]. The contributions of the contact, attractive, and hydrodynamics forces to the bulk stress are presented, as are the contact networks found at different attractive strengths.« less

Simulation of Shuttle launch G forces and acoustic loads using the NASA Ames Research Center 20G centrifuge

NASA Technical Reports Server (NTRS)

Shaw, T. L.; Corliss, J. M.; Gundo, D. P.; Mulenburg, G. M.; Breit, G. A.; Griffith, J. B.

1994-01-01

The high cost and long times required to develop research packages for space flight can often be offset by using ground test techniques. This paper describes a space shuttle launch and reentry simulating using the NASA Ames Research Center's 20G centrifuge facility. The combined G-forces and acoustic environment during shuttle launch and landing were simulated to evaluate the effect on a payload of laboratory rates. The launch G force and acoustic profiles are matched to actual shuttle launch data to produce the required G-forces and acoustic spectrum in the centrifuge test cab where the rats were caged on a free-swinging platform. For reentry, only G force is simulated as the aero-acoustic noise is insignificant compared to that during launch. The shuttle G-force profiles of launch and landing are achieved by programming the centrifuge drive computer to continuously adjust centrifuge rotational speed to obtain the correct launch and landing G forces. The shuttle launch acoustic environment is simulated using a high-power, low-frequency audio system. Accelerometer data from STS-56 and microphone data from STS-1 through STS-5 are used as baselines for the simulations. This paper provides a description of the test setup and the results of the simulation with recommendations for follow-on simulations.

Effect of polarization forces on carbon deposition on a non-spherical nanoparticle. Monte Carlo simulations [Effect of polarization forces on atom deposition on a non-spherical nanoparticle. Monte Carlo simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nemchinsky, V.; Khrabry, A.

Trajectories of a polarizable species (atoms or molecules) in the vicinity of a negatively charged nanoparticle (at a floating potential) are considered. The atoms are pulled into regions of strong electric field by polarization forces. The polarization increases the deposition rate of the atoms and molecules at the nanoparticle. The effect of the non-spherical shape of the nanoparticle is investigated by the Monte Carlo method. The shape of the non-spherical nanoparticle is approximated by an ellipsoid. The total deposition rate and its flux density distribution along the nanoparticle surface are calculated. As a result, it is shown that the fluxmore » density is not uniform along the surface. It is maximal at the nanoparticle tips.« less

Effect of polarization forces on carbon deposition on a non-spherical nanoparticle. Monte Carlo simulations [Effect of polarization forces on atom deposition on a non-spherical nanoparticle. Monte Carlo simulations

DOE PAGES

Nemchinsky, V.; Khrabry, A.

2018-02-01

Trajectories of a polarizable species (atoms or molecules) in the vicinity of a negatively charged nanoparticle (at a floating potential) are considered. The atoms are pulled into regions of strong electric field by polarization forces. The polarization increases the deposition rate of the atoms and molecules at the nanoparticle. The effect of the non-spherical shape of the nanoparticle is investigated by the Monte Carlo method. The shape of the non-spherical nanoparticle is approximated by an ellipsoid. The total deposition rate and its flux density distribution along the nanoparticle surface are calculated. As a result, it is shown that the fluxmore » density is not uniform along the surface. It is maximal at the nanoparticle tips.« less

Plethora of transitions during breakup of liquid filaments

PubMed Central

Castrejón-Pita, José Rafael; Castrejón-Pita, Alfonso Arturo; Thete, Sumeet Suresh; Sambath, Krishnaraj; Hutchings, Ian M.; Hinch, John; Lister, John R.; Basaran, Osman A.

2015-01-01

Thinning and breakup of liquid filaments are central to dripping of leaky faucets, inkjet drop formation, and raindrop fragmentation. As the filament radius decreases, curvature and capillary pressure, both inversely proportional to radius, increase and fluid is expelled with increasing velocity from the neck. As the neck radius vanishes, the governing equations become singular and the filament breaks. In slightly viscous liquids, thinning initially occurs in an inertial regime where inertial and capillary forces balance. By contrast, in highly viscous liquids, initial thinning occurs in a viscous regime where viscous and capillary forces balance. As the filament thins, viscous forces in the former case and inertial forces in the latter become important, and theory shows that the filament approaches breakup in the final inertial–viscous regime where all three forces balance. However, previous simulations and experiments reveal that transition from an initial to the final regime either occurs at a value of filament radius well below that predicted by theory or is not observed. Here, we perform new simulations and experiments, and show that a thinning filament unexpectedly passes through a number of intermediate transient regimes, thereby delaying onset of the inertial–viscous regime. The new findings have practical implications regarding formation of undesirable satellite droplets and also raise the question as to whether similar dynamical transitions arise in other free-surface flows such as coalescence that also exhibit singularities. PMID:25825761

Annular mode changes in the CMIP5 simulations

NASA Astrophysics Data System (ADS)

Gillett, N. P.; Fyfe, J. C.

2013-03-01

We investigate simulated changes in the annular modes in historical and RCP 4.5 scenario simulations of 37 models from the fifth Coupled Model Intercomparison Project (CMIP5), a much larger ensemble of models than has previously been used to investigate annular mode trends, with improved resolution and forcings. The CMIP5 models on average simulate increases in the Northern Annular Mode (NAM) and Southern Annular Mode (SAM) in every season by 2100, and no CMIP5 model simulates a significant decrease in either the NAM or SAM in any season. No significant increase in the NAM or North Atlantic Oscillation (NAO) is simulated in response to volcanic aerosol, and no significant NAM or NAO response to solar irradiance variations is simulated. The CMIP5 models simulate a significant negative SAM response to volcanic aerosol in MAM and JJA, and a significant positive SAM response to solar irradiance variations in MAM, JJA and DJF.

Method for CFD Simulation of Propellant Slosh in a Spherical Tank

NASA Technical Reports Server (NTRS)

Benson, David J.; Mason, Paul A.

2011-01-01

Propellant sloshing can impart unwanted disturbances to spacecraft, especially if the spacecraft controller is driving the system at the slosh frequency. This paper describes the work performed by the authors in simulating propellant slosh in a spherical tank using computational fluid dynamics (CFD). ANSYS-CFX is the CFD package used to perform the analysis. A 42 in spherical tank is studied with various fill fractions. Results are provided for the forces on the walls and the frequency of the slosh. Snapshots of slosh animation give a qualitative understanding of the propellant slosh. The results show that maximum slosh forces occur at a tank fill fraction of 0.4 and 0.6 due to the amount of mass participating in the slosh and the room available for sloshing to occur. The slosh frequency increases as the tank fill fraction increases.

Simulated responses of terrestrial aridity to black carbon and sulfate aerosols: LIN: SIMULATED RESPONSES ARIDITY

DOE PAGES

Lin, L.; Gettelman, A.; Xu, Y.; ...

2016-01-27

Aridity index (AI), defined as the ratio of precipitation to potential evapotranspiration (PET), is a measure of the dryness of terrestrial climate. Global climate models generally project future decreases of AI (drying) associated with global warming scenarios driven by increasing greenhouse gas and declining aerosols. Given their different effects in the climate system, scattering and absorbing aerosols may affect AI differently. Here we explore the terrestrial aridity responses to anthropogenic black carbon (BC) and sulfate (SO4) aerosols with Community Earth System Model simulations. Positive BC radiative forcing decreases precipitation averaged over global land at a rate of 0.9%/°C of globalmore » mean surface temperature increase (moderate drying), while BC radiative forcing increases PET by 1.0%/°C (also drying). BC leads to a global decrease of 1.9%/°C in AI (drying). SO4 forcing is negative and causes precipitation a decrease at a rate of 6.7%/°C cooling (strong drying). PET also decreases in response to SO4 aerosol cooling by 6.3%/°C cooling (contributing to moistening). Thus, SO4 cooling leads to a small decrease in AI (drying) by 0.4%/°C cooling. Despite the opposite effects on global mean temperature, BC and SO4 both contribute to the twentieth century drying (AI decrease). Sensitivity test indicates that surface temperature and surface available energy changes dominate BC- and SO4-induced PET changes.« less

Effects of retraction force and anchorage reinforcement on occlusal force: a model study.

PubMed

Kim, MoonHee; Seol, Kyung-sim; Lee, Yoonjung; Park, Jiman; Kim, Minji; Chun, Youn-Sic

2014-10-01

The aim of this study was to investigate the effects of retraction force and anchorage reinforcement with orthodontic mini implants on occlusal force. A strain gauge was attached to the palatal surface of the maxillary right first molar on an en masse retraction model. Occlusal forces were measured from this model, according to different retraction forces that were generated by elastic chain, under varied compressive forces (simulating masticatory forces). This retraction experiment was then performed again, after using anchorage reinforcement with an orthodontic mini implant. Occlusal force decreased as retraction force increased. The decrease showed a significant difference above 150g of retraction force (P < 0.05) and was more definite under compressive force higher than 150 N (P < 0.001). After anchorage reinforcement with the orthodontic mini implant, however, occlusal force did not significantly decrease with increasing retraction force. Significant differences in occlusal force were noted between the conditions with and without anchorage reinforcement when the applied retraction force was greater than 200g. Occlusal force tends to decrease during retraction, and this decrease can be prevented by anchorage reinforcement with orthodontic mini implants. Further investigation on the actual masticatory process in humans is required for more clear clinical implication. © The Author 2013. Published by Oxford University Press on behalf of the European Orthodontic Society. All rights reserved. For permissions, please email: journals.permissions@oup.com.

FORCinel Version 3.0: An Integrated Environment for Processing, Analysis and Simulation of First-Order Reversal Curve Diagrams

NASA Astrophysics Data System (ADS)

Lascu, I.; Harrison, R. J.

2016-12-01

First-order reversal curve (FORC) diagrams are a powerful method to characterise the hysteresis properties of magnetic grain ensembles. Methods of processing, analysis and simulation of FORC diagrams have developed rapidly over the past few years, dramatically expanding their utility within rock magnetic research. Here we announce the latest release of FORCinel (Version 3.0), which integrates many of these developments into a unified, user-friendly package running within Igor Pro (www.wavemetrics.com). FORCinel v. 3.0 can be downloaded from https://wserv4.esc.cam.ac.uk/nanopaleomag/. The release will be accompanied by a series of video tutorials outlining each of the new features, including: i) improved work flow, with unified smoothing approach; ii) increased processing speed using multiple processors; iii) control of output resolution, enabling large datasets (> 500 FORCs) to be smoothed in a matter of seconds; iv) load, process, analyse and average multiple FORC diagrams; v) load and process non-gridded data and data acquired on non-PMC systems; vi) improved method for exploring optimal smoothing parameters; vii) interactive and un-doable data-pretreatments; viii) automated detection and removal of measurement outliers; ix) improved interactive method for the generation and optimisation of colour scales; x) full integration with FORCem1 - supervised quantitative unmixing of FORC diagrams using principle component analysis (PCA); xi) full integration with FORCulator2 - micromagnetic simulation of FORC diagrams; xiii) simulate TRM acquisition using the kinetic Monte Carlo simulation algorithm of Shcherbakov3. 1. Lascu, I., Harrison, R.J., Li, Y., Muraszko, J.R., Channell, J.E.T., Piotrowski, A.M., Hodell, D.A., 2015. Magnetic unmixing of first-order reversal curve diagrams using principal component analysis. Geochemistry, Geophys. Geosystems 16, 2900-2915. 2. Harrison, R.J., Lascu, I., 2014. FORCulator: A micromagnetic tool for simulating first-order reversal curve diagrams. Geochemistry Geophys. Geosystems 15, 4671-4691. 3. Shcherbakov, V.P., Lamash, B.E., Sycheva, N.K., 1995. Monte-Carlo modelling of thermoremanence acquisition in interacting single-domain grains. Phys. Earth Planet. Inter. 87, 197-211.

In vivo biomechanical measurement and haptic simulation of portal placement procedure in shoulder arthroscopic surgery

PubMed Central

Chae, Sanghoon; Jung, Sung-Weon

2018-01-01

A survey of 67 experienced orthopedic surgeons indicated that precise portal placement was the most important skill in arthroscopic surgery. However, none of the currently available virtual reality simulators include simulation / training in portal placement, including haptic feedback of the necessary puncture force. This study aimed to: (1) measure the in vivo force and stiffness during a portal placement procedure in an actual operating room and (2) implement active haptic simulation of a portal placement procedure using the measured in vivo data. We measured the force required for port placement and the stiffness of the joint capsule during portal placement procedures performed by an experienced arthroscopic surgeon. Based on the acquired mechanical property values, we developed a cable-driven active haptic simulator designed to train the portal placement skill and evaluated the validity of the simulated haptics. Ten patients diagnosed with rotator cuff tears were enrolled in this experiment. The maximum peak force and joint capsule stiffness during posterior portal placement procedures were 66.46 (±10.76N) and 2560.82(±252.92) N/m, respectively. We then designed an active haptic simulator using the acquired data. Our cable-driven mechanism structure had a friction force of 3.763 ± 0.341 N, less than 6% of the mean puncture force. Simulator performance was evaluated by comparing the target stiffness and force with the stiffness and force reproduced by the device. R-squared values were 0.998 for puncture force replication and 0.902 for stiffness replication, indicating that the in vivo data can be used to implement a realistic haptic simulator. PMID:29494691

A framework for WRF to WRF-IBM grid nesting to enable multiscale simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wiersema, David John; Lundquist, Katherine A.; Chow, Fotini Katapodes

With advances in computational power, mesoscale models, such as the Weather Research and Forecasting (WRF) model, are often pushed to higher resolutions. As the model’s horizontal resolution is refined, the maximum resolved terrain slope will increase. Because WRF uses a terrain-following coordinate, this increase in resolved terrain slopes introduces additional grid skewness. At high resolutions and over complex terrain, this grid skewness can introduce large numerical errors that require methods, such as the immersed boundary method, to keep the model accurate and stable. Our implementation of the immersed boundary method in the WRF model, WRF-IBM, has proven effective at microscalemore » simulations over complex terrain. WRF-IBM uses a non-conforming grid that extends beneath the model’s terrain. Boundary conditions at the immersed boundary, the terrain, are enforced by introducing a body force term to the governing equations at points directly beneath the immersed boundary. Nesting between a WRF parent grid and a WRF-IBM child grid requires a new framework for initialization and forcing of the child WRF-IBM grid. This framework will enable concurrent multi-scale simulations within the WRF model, improving the accuracy of high-resolution simulations and enabling simulations across a wide range of scales.« less

The coupled atmosphere-chemistry-ocean model SOCOL-MPIOM

NASA Astrophysics Data System (ADS)

Muthers, S.; Anet, J. G.; Stenke, A.; Raible, C. C.; Rozanov, E.; Brönnimann, S.; Peter, T.; Arfeuille, F. X.; Shapiro, A. I.; Beer, J.; Steinhilber, F.; Brugnara, Y.; Schmutz, W.

2014-05-01

The newly developed atmosphere-ocean-chemistry-climate model SOCOL-MPIOM is presented by demonstrating the influence of the interactive chemistry module on the climate state and the variability. Therefore, we compare pre-industrial control simulations with (CHEM) and without (NOCHEM) interactive chemistry. In general, the influence of the chemistry on the mean state and the variability is small and mainly restricted to the stratosphere and mesosphere. The largest differences are found for the atmospheric dynamics in the polar regions, with slightly stronger northern and southern winter polar vortices in CHEM. The strengthening of the vortex is related to larger stratospheric temperature gradients, which are attributed to a parametrization of the absorption of ozone and oxygen in the Lyman-alpha, Schumann-Runge, Hartley, and Higgins bands. This effect is parametrized in the version with interactive chemistry only. A second reason for the temperature differences between CHEM and NOCHEM is related to diurnal variations in the ozone concentrations in the higher atmosphere, which are missing in NOCHEM. Furthermore, stratospheric water vapour concentrations differ substantially between the two experiments, but their effect on the temperatures is small. In both setups, the simulated intensity and variability of the northern polar vortex is inside the range of present day observations. Sudden stratospheric warming events are well reproduced in terms of their frequency, but the distribution amongst the winter months is too uniform. Additionally, the performance of SOCOL-MPIOM under changing external forcings is assessed for the period 1600-2000 using an ensemble of simulations driven by a spectral solar forcing reconstruction. The amplitude of the reconstruction is large in comparison to other state-of-the-art reconstructions, providing an upper limit for the importance of the solar signal. In the pre-industrial period (1600-1850) the simulated surface temperature trends are in reasonable agreement with temperature reconstructions, although the multi-decadal variability is more pronounced. This enhanced variability can be attributed to the variability in the solar forcing. The simulated temperature reductions during the Maunder Minimum are in the lowest probability range of the proxy records. During the Dalton Minimum, when also volcanic forcing is an important driver of temperature variations, the agreement is better. In the industrial period from 1850 onward SOCOL-MPIOM overestimates the temperature increase in comparison to observational data sets. Sensitivity simulations show that this overestimation can be attributed to the increasing trend in the solar forcing reconstruction that is used in this study and an additional warming induced by the simulated ozone changes.

Sticking properties of ice grains

NASA Astrophysics Data System (ADS)

Jongmanns, M.; Kumm, M.; Wurm, G.; Wolf, D. E.; Teiser, J.

2017-06-01

We study the size dependence of pull-off forces of water ice in laboratory experiments and numerical simulations. To determine the pull-off force in our laboratory experiments, we use a liquid nitrogen cooled centrifuge. Depending on its rotation frequency, spherical ice grains detach due to the centrifugal force which is related to the adhesive properties. Numerical simulations are conducted by means of molecular dynamics simulations of hexagonal ice using a standard coarse-grained water potential. The pull-off force of a single contact between two spherical ice grains is measured due to strain controlled simulations. Both, the experimental study and the simulations reveal a dependence between the pull-off force and the (reduced) particle radii, which differ significantly from the linear dependence of common contact theories.

Data-driven train set crash dynamics simulation

NASA Astrophysics Data System (ADS)

Tang, Zhao; Zhu, Yunrui; Nie, Yinyu; Guo, Shihui; Liu, Fengjia; Chang, Jian; Zhang, Jianjun

2017-02-01

Traditional finite element (FE) methods are arguably expensive in computation/simulation of the train crash. High computational cost limits their direct applications in investigating dynamic behaviours of an entire train set for crashworthiness design and structural optimisation. On the contrary, multi-body modelling is widely used because of its low computational cost with the trade-off in accuracy. In this study, a data-driven train crash modelling method is proposed to improve the performance of a multi-body dynamics simulation of train set crash without increasing the computational burden. This is achieved by the parallel random forest algorithm, which is a machine learning approach that extracts useful patterns of force-displacement curves and predicts a force-displacement relation in a given collision condition from a collection of offline FE simulation data on various collision conditions, namely different crash velocities in our analysis. Using the FE simulation results as a benchmark, we compared our method with traditional multi-body modelling methods and the result shows that our data-driven method improves the accuracy over traditional multi-body models in train crash simulation and runs at the same level of efficiency.

Strain Response of the Anterior Cruciate Ligament to Uniplanar and Multiplanar Loads During Simulated Landings: Implications for Injury Mechanism.

PubMed

Kiapour, Ata M; Demetropoulos, Constantine K; Kiapour, Ali; Quatman, Carmen E; Wordeman, Samuel C; Goel, Vijay K; Hewett, Timothy E

2016-08-01

Despite basic characterization of the loading factors that strain the anterior cruciate ligament (ACL), the interrelationship(s) and additive nature of these loads that occur during noncontact ACL injuries remain incompletely characterized. In the presence of an impulsive axial compression, simulating vertical ground-reaction force during landing (1) both knee abduction and internal tibial rotation moments would result in increased peak ACL strain, and (2) a combined multiplanar loading condition, including both knee abduction and internal tibial rotation moments, would increase the peak ACL strain to levels greater than those under uniplanar loading modes alone. Controlled laboratory study. A cadaveric model of landing was used to simulate dynamic landings during a jump in 17 cadaveric lower extremities (age, 45 ± 7 years; 9 female and 8 male). Peak ACL strain was measured in situ and characterized under impulsive axial compression and simulated muscle forces (baseline) followed by addition of anterior tibial shear, knee abduction, and internal tibial rotation loads in both uni- and multiplanar modes, simulating a broad range of landing conditions. The associations between knee rotational kinematics and peak ACL strain levels were further investigated to determine the potential noncontact injury mechanism. Externally applied loads, under both uni- and multiplanar conditions, resulted in consistent increases in peak ACL strain compared with the baseline during simulated landings (by up to 3.5-fold; P ≤ .032). Combined multiplanar loading resulted in the greatest increases in peak ACL strain (P < .001). Degrees of knee abduction rotation (R(2) = 0.45; β = 0.42) and internal tibial rotation (R(2) = 0.32; β = 0.23) were both significantly correlated with peak ACL strain (P < .001). However, changes in knee abduction rotation had a significantly greater effect size on peak ACL strain levels than did internal tibial rotation (by ~2-fold; P < .001). In the presence of impulsive axial compression, the combination of anterior tibial shear force, knee abduction, and internal tibial rotation moments significantly increases ACL strain, which could result in ACL failure. These findings support multiplanar knee valgus collapse as one the primary mechanisms of noncontact ACL injuries during landing. Intervention programs that address multiple planes of loading may decrease the risk of ACL injury and the devastating consequences of posttraumatic knee osteoarthritis. © 2016 The Author(s).

Impact of the spatial distribution of the atmospheric forcing on water mass formation in the Mediterranean Sea

NASA Astrophysics Data System (ADS)

BéRanger, Karine; Drillet, Yann; Houssais, Marie-NoëLle; Testor, Pierre; Bourdallé-Badie, Romain; Alhammoud, Bahjat; Bozec, Alexandra; Mortier, Laurent; Bouruet-Aubertot, Pascale; CréPon, Michel

2010-12-01

The impact of the atmospheric forcing on the winter ocean convection in the Mediterranean Sea was studied with a high-resolution ocean general circulation model. The major areas of focus are the Levantine basin, the Aegean-Cretan Sea, the Adriatic Sea, and the Gulf of Lion. Two companion simulations differing by the horizontal resolution of the atmospheric forcing were compared. The first simulation (MED16-ERA40) was forced by air-sea fields from ERA40, which is the ECMWF reanalysis. The second simulation (MED16-ECMWF) was forced by the ECMWF-analyzed surface fields that have a horizontal resolution twice as high as those of ERA40. The analysis of the standard deviations of the atmospheric fields shows that increasing the resolution of the atmospheric forcing leads in all regions to a better channeling of the winds by mountains and to the generation of atmospheric mesoscale patterns. Comparing the companion ocean simulation results with available observations in the Adriatic Sea and in the Gulf of Lion shows that MED16-ECMWF is more realistic than MED16-ERA40. In the eastern Mediterranean, although deep water formation occurs in the two experiments, the depth reached by the convection is deeper in MED16-ECMWF. In the Gulf of Lion, deep water formation occurs only in MED16-ECMWF. This larger sensitivity of the western Mediterranean convection to the forcing resolution is investigated by running a set of sensitivity experiments to analyze the impact of different time-space resolutions of the forcing on the intense winter convection event in winter 1998-1999. The sensitivity to the forcing appears to be mainly related to the effect of wind channeling by the land orography, which can only be reproduced in atmospheric models of sufficient resolution. Thus, well-positioned patterns of enhanced wind stress and ocean surface heat loss are able to maintain a vigorous gyre circulation favoring efficient preconditioning of the area at the beginning of winter and to drive realistic buoyancy loss and mixing responsible for strong convection at the end of winter.

Radiative effects of light-absorbing particles deposited in snow over Himalayas using WRF-Chem simulations

NASA Astrophysics Data System (ADS)

Sarangi, C.; Qian, Y.; Painter, T. H.; Liu, Y.; Lin, G.; Wang, H.

2017-12-01

Radiative forcing induced by light-absorbing particles (LAP) deposited on snow is an important surface forcing. It has been debated that an aerosol-induced increase in atmospheric and surface warming over Tibetan Plateau (TP) prior to the South Asian summer monsoon can have a significant effect on the regional thermodynamics and South Asian monsoon circulation. However, knowledge about the radiative effects due to deposition of LAP in snow over TP is limited. In this study we have used a high-resolution WRF-Chem (coupled with online chemistry and snow-LAP-radiation model) simulations during 2013-2014 to estimate the spatio-temporal variation in LAP deposition on snow, specifically black carbon (BC) and dust particles, in Himalayas. Simulated distributions in meteorology, aerosol concentrations, snow albedo, snow grain size and snow depth are evaluated against satellite and in-situ measurements. The spatio-temporal change in snow albedo and snow grain size with variation in LAP deposition is investigated and the resulting shortwave LAP radiative forcing at surface is calculated. The LAP-radiative forcing due to aerosol deposition, both BC and dust, is higher in magnitude over Himalayan slopes (terrain height below 4 km) compared to that over TP (terrain height above 4 km). We found that the shortwave aerosol radiative forcing efficiency at surface due to increase in deposited mass of BC particles in snow layer ( 25 (W/m2)/ (mg/m2)) is manifold higher than the efficiency of dust particles ( 0.1 (W/m2)/ (mg/m2)) over TP. However, the radiative forcing of dust deposited in snow is similar in magnitude (maximum 20-30 W/m2) to that of BC deposited in snow over TP. This is mainly because the amount of dust deposited in snow over TP can be about 100 times greater than the amount of BC deposited in snow during polluted conditions. The impact of LAP on surface energy balance, snow melting and atmospheric thermodynamics is also examined.

Forces in magnetospheric launching of micro-ejections

NASA Astrophysics Data System (ADS)

Cemeljic, Miljenko

2013-07-01

In 2D-axisymmetric simulations with our resistive MHD code Zeus-347 we show that micro-ejections, a quasi-stationary fast ejecta of matter of small mass and angular momentum fluxes, can be launched from a purely resistive magnetosphere above the disk gap. They are produced by a combination of pressure gradient and magnetic forces, in presence of ongoing magnetic reconnection along the boundary layer between the star and the disk, where a current sheet is formed. Mass flux of micro-ejections increases with increasing magnetic field strength and stellar rotation rate.

Optimal Length Scale for a Turbulent Dynamo.

PubMed

Sadek, Mira; Alexakis, Alexandros; Fauve, Stephan

2016-02-19

We demonstrate that there is an optimal forcing length scale for low Prandtl number dynamo flows that can significantly reduce the required energy injection rate. The investigation is based on simulations of the induction equation in a periodic box of size 2πL. The flows considered are the laminar and turbulent ABC flows forced at different forcing wave numbers k_{f}, where the turbulent case is simulated using a subgrid turbulence model. At the smallest allowed forcing wave number k_{f}=k_{min}=1/L the laminar critical magnetic Reynolds number Rm_{c}^{lam} is more than an order of magnitude smaller than the turbulent critical magnetic Reynolds number Rm_{c}^{turb} due to the hindering effect of turbulent fluctuations. We show that this hindering effect is almost suppressed when the forcing wave number k_{f} is increased above an optimum wave number k_{f}L≃4 for which Rm_{c}^{turb} is minimum. At this optimal wave number, Rm_{c}^{turb} is smaller by more than a factor of 10 than the case forced in k_{f}=1. This leads to a reduction of the energy injection rate by 3 orders of magnitude when compared to the case where the system is forced at the largest scales and thus provides a new strategy for the design of a fully turbulent experimental dynamo.

Sources of spurious force oscillations from an immersed boundary method for moving-body problems

NASA Astrophysics Data System (ADS)

Lee, Jongho; Kim, Jungwoo; Choi, Haecheon; Yang, Kyung-Soo

2011-04-01

When a discrete-forcing immersed boundary method is applied to moving-body problems, it produces spurious force oscillations on a solid body. In the present study, we identify two sources of these force oscillations. One source is from the spatial discontinuity in the pressure across the immersed boundary when a grid point located inside a solid body becomes that of fluid with a body motion. The addition of mass source/sink together with momentum forcing proposed by Kim et al. [J. Kim, D. Kim, H. Choi, An immersed-boundary finite volume method for simulations of flow in complex geometries, Journal of Computational Physics 171 (2001) 132-150] reduces the spurious force oscillations by alleviating this pressure discontinuity. The other source is from the temporal discontinuity in the velocity at the grid points where fluid becomes solid with a body motion. The magnitude of velocity discontinuity decreases with decreasing the grid spacing near the immersed boundary. Four moving-body problems are simulated by varying the grid spacing at a fixed computational time step and at a constant CFL number, respectively. It is found that the spurious force oscillations decrease with decreasing the grid spacing and increasing the computational time step size, but they depend more on the grid spacing than on the computational time step size.

Interactions of the anticancer drug tamoxifen with lipid membranes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khadka, Nawal K.; Cheng, Xiaolin; Ho, Chian Sing

Interactions of the hydrophobic anticancer drug tamoxifen (TAM) with lipid model membranes were studied using calcein-encapsulated vesicle leakage, attenuated total reflection Fourier transform infrared (FTIR) spectroscopy, small-angle neutron scattering (SANS), atomic force microscopy (AFM) based force spectroscopy, and all-atom molecular dynamics (MD) simulations. The addition of TAM enhances membrane permeability, inducing calcein to translocate from the interior to the exterior of lipid vesicles. A large decrease in the FTIR absorption band’s magnitude was observed in the hydrocarbon chain region, suggesting suppressed bond vibrational dynamics. Bilayer thickening was determined from SANS data. Force spectroscopy measurements indicate that the lipid bilayer areamore » compressibility modulus KA is increased by a large amount after the incorporation of TAM. MD simulations show that TAM decreases the lipid area and increases chain order parameters. Moreover, orientational and positional analyses show that TAM exhibits a highly dynamic conformation within the lipid bilayer. Lastly, our detailed experimental and computational studies of TAM interacting with model lipid membranes shed new light on membrane modulation by TAM.« less

Interactions of the anticancer drug tamoxifen with lipid membranes

DOE PAGES

Khadka, Nawal K.; Cheng, Xiaolin; Ho, Chian Sing; ...

2015-05-19

Interactions of the hydrophobic anticancer drug tamoxifen (TAM) with lipid model membranes were studied using calcein-encapsulated vesicle leakage, attenuated total reflection Fourier transform infrared (FTIR) spectroscopy, small-angle neutron scattering (SANS), atomic force microscopy (AFM) based force spectroscopy, and all-atom molecular dynamics (MD) simulations. The addition of TAM enhances membrane permeability, inducing calcein to translocate from the interior to the exterior of lipid vesicles. A large decrease in the FTIR absorption band’s magnitude was observed in the hydrocarbon chain region, suggesting suppressed bond vibrational dynamics. Bilayer thickening was determined from SANS data. Force spectroscopy measurements indicate that the lipid bilayer areamore » compressibility modulus KA is increased by a large amount after the incorporation of TAM. MD simulations show that TAM decreases the lipid area and increases chain order parameters. Moreover, orientational and positional analyses show that TAM exhibits a highly dynamic conformation within the lipid bilayer. Lastly, our detailed experimental and computational studies of TAM interacting with model lipid membranes shed new light on membrane modulation by TAM.« less

Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data

NASA Astrophysics Data System (ADS)

Chen, Chen; Arntsen, Christopher; Voth, Gregory A.

2017-10-01

Incorporation of quantum mechanical electronic structure data is necessary to properly capture the physics of many chemical processes. Proton hopping in water, which involves rearrangement of chemical and hydrogen bonds, is one such example of an inherently quantum mechanical process. Standard ab initio molecular dynamics (AIMD) methods, however, do not yet accurately predict the structure of water and are therefore less than optimal for developing force fields. We have instead utilized a recently developed method which minimally biases AIMD simulations to match limited experimental data to develop novel multiscale reactive molecular dynamics (MS-RMD) force fields by using relative entropy minimization. In this paper, we present two new MS-RMD models using such a parameterization: one which employs water with harmonic internal vibrations and another which uses anharmonic water. We show that the newly developed MS-RMD models very closely reproduce the solvation structure of the hydrated excess proton in the target AIMD data. We also find that the use of anharmonic water increases proton hopping, thereby increasing the proton diffusion constant.

Aerosol and ozone changes as forcing for climate evolution between 1850 and 2100

NASA Astrophysics Data System (ADS)

Szopa, Sophie; Balkanski, Y.; Schulz, M.; Bekki, S.; Cugnet, D.; Fortems-Cheiney, A.; Turquety, S.; Cozic, A.; Déandreis, C.; Hauglustaine, D.; Idelkadi, A.; Lathière, J.; Lefevre, F.; Marchand, M.; Vuolo, R.; Yan, N.; Dufresne, J.-L.

2013-05-01

Global aerosol and ozone distributions and their associated radiative forcings were simulated between 1850 and 2100 following a recent historical emission dataset and under the representative concentration pathways (RCP) for the future. These simulations were used in an Earth System Model to account for the changes in both radiatively and chemically active compounds, when simulating the climate evolution. The past negative stratospheric ozone trends result in a negative climate forcing culminating at -0.15 W m-2 in the 1990s. In the meantime, the tropospheric ozone burden increase generates a positive climate forcing peaking at 0.41 W m-2. The future evolution of ozone strongly depends on the RCP scenario considered. In RCP4.5 and RCP6.0, the evolution of both stratospheric and tropospheric ozone generate relatively weak radiative forcing changes until 2060-2070 followed by a relative 30 % decrease in radiative forcing by 2100. In contrast, RCP8.5 and RCP2.6 model projections exhibit strongly different ozone radiative forcing trajectories. In the RCP2.6 scenario, both effects (stratospheric ozone, a negative forcing, and tropospheric ozone, a positive forcing) decline towards 1950s values while they both get stronger in the RCP8.5 scenario. Over the twentieth century, the evolution of the total aerosol burden is characterized by a strong increase after World War II until the middle of the 1980s followed by a stabilization during the last decade due to the strong decrease in sulfates in OECD countries since the 1970s. The cooling effects reach their maximal values in 1980, with -0.34 and -0.28 W m-2 respectively for direct and indirect total radiative forcings. According to the RCP scenarios, the aerosol content, after peaking around 2010, is projected to decline strongly and monotonically during the twenty-first century for the RCP8.5, 4.5 and 2.6 scenarios. While for RCP6.0 the decline occurs later, after peaking around 2050. As a consequence the relative importance of the total cooling effect of aerosols becomes weaker throughout the twenty-first century compared with the positive forcing of greenhouse gases. Nevertheless, both surface ozone and aerosol content show very different regional features depending on the future scenario considered. Hence, in 2050, surface ozone changes vary between -12 and +12 ppbv over Asia depending on the RCP projection, whereas the regional direct aerosol radiative forcing can locally exceed -3 W m-2.

Sex-based differences in knee ligament biomechanics during robotically simulated athletic tasks.

PubMed

Bates, Nathaniel A; Nesbitt, Rebecca J; Shearn, Jason T; Myer, Gregory D; Hewett, Timothy E

2016-06-14

ACL injury rates are greater in female athletes than their male counterparts. As female athletes are at increased risk, it is important to understand the underlying mechanics that contribute to this sex bias. The purpose of this investigation was to employ a robotic manipulator to simulate male and female kinematics from athletic tasks on cadaveric specimens and identify sex-based mechanical differences relative to the ACL loading. It was hypothesized that simulations of female motion would generate the higher loads and ligament strains associated with in vivo ACL injury risk than simulations of male motion. A 6-degree-of-freedom robotic manipulator articulated cadaveric lower extremity specimens from 12 donors through simulations of in vivo kinematics recorded from male and female athletic tasks. Simulation of female kinematics exhibited lower peak lateral joint force during the drop vertical jump and lower peak anterior and lateral joint force and external joint torque during the sidestep cut (P<0.05). Peak ACL strain during a drop vertical jump was 6.27% and 6.61% for the female and male kinematic simulations, respectively (P=0.86). Peak ACL strain during a sidestep cut was 4.33% and 7.57% for female and male kinematic simulations respectively (P=0.21). For the tasks simulated, the sex-based loading and strain differences identified were unlikely to have a significant bearing on the increased rate of ACL injures observed in female athletes. Additional perturbation may be necessary to invoke the mechanisms that lead to higher rates of ACL injury in female populations. Copyright © 2016. Published by Elsevier Ltd.

Air pollution control and decreasing new particle formation lead to strong climate warming

NASA Astrophysics Data System (ADS)

Makkonen, R.; Asmi, A.; Kerminen, V.-M.; Boy, M.; Arneth, A.; Hari, P.; Kulmala, M.

2011-09-01

The number of cloud droplets determines several climatically relevant cloud properties. A major cause for the high uncertainty in the indirect aerosol forcing is the availability of cloud condensation nuclei (CCN), which in turn is highly sensitive to atmospheric new particle formation. Here we present the effect of new particle formation on anthropogenic aerosol forcing in present-day (year 2000) and future (year 2100) conditions. The total aerosol forcing (-1.61 W m-2 in year 2000) is simulated to be greatly reduced in the future, to -0.23 W m-2, mainly due to decrease in SO2 emissions and resulting decrease in new particle formation. With the total aerosol forcing decreasing in response to air pollution control measures taking effect, warming from increased greenhouse gas concentrations can potentially increase at a very rapid rate.

Effects of anthropogenic activity emerging as intensified extreme precipitation over China

NASA Astrophysics Data System (ADS)

Li, Huixin; Chen, Huopo; Wang, Huijun

2017-07-01

This study aims to provide an assessment of the effects of anthropogenic (ANT) forcings and other external factors on observed increases in extreme precipitation over China from 1961 to 2005. Extreme precipitation is represented by the annual maximum 1 day precipitation (RX1D) and the annual maximum 5 day consecutive precipitation (RX5D), and these variables are investigated using observations and simulations from the Coupled Model Intercomparison Project phase 5. The analyses mainly focus on the probability-based index (PI), which is derived from RX1D and RX5D by fitting generalized extreme value distributions. The results indicate that the simulations that include the ANT forcings provide the best representation of the spatial and temporal characteristics of extreme precipitation over China. We use the optimal fingerprint method to obtain the univariate and multivariate fingerprints of the responses to external forcings. The results show that only the ANT forcings are detectable at a 90% confidence level, both individually and when natural forcings are considered simultaneously. The impact of the forcing associated with greenhouse gases (GHGs) is also detectable in RX1D, but its effects cannot be separated from those of combinations of forcings that exclude the GHG forcings in the two-signal analyses. Besides, the estimated changes of PI, extreme precipitation, and events with a 20 year return period under nonstationary climate states are potentially attributable to ANT or GHG forcings, and the relationships between extreme precipitation and temperature from ANT forcings show agreement with observations.

Modification and optimization of the united-residue (UNRES) potential-energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins

PubMed Central

Liwo, Adam; Khalili, Mey; Czaplewski, Cezary; Kalinowski, Sebastian; Ołdziej, Stanisław; Wachucik, Katarzyna; Scheraga, Harold A.

2011-01-01

We report the modification and parameterization of the united-residue (UNRES) force field for energy-based protein-structure prediction and protein-folding simulations. We tested the approach on three training proteins separately: 1E0L (β), 1GAB (α), and 1E0G (α + β). Heretofore, the UNRES force field had been designed and parameterized to locate native-like structures of proteins as global minima of their effective potential-energy surfaces, which largely neglected the conformational entropy because decoys composed of only lowest-energy conformations were used to optimize the force field. Recently, we developed a mesoscopic dynamics procedure for UNRES, and applied it with success to simulate protein folding pathways. How ever, the force field turned out to be largely biased towards α-helical structures in canonical simulations because the conformational entropy had been neglected in the parameterization. We applied the hierarchical optimization method developed in our earlier work to optimize the force field, in which the conformational space of a training protein is divided into levels each corresponding to a certain degree of native-likeness. The levels are ordered according to increasing native-likeness; level 0 corresponds to structures with no native-like elements and the highest level corresponds to the fully native-like structures. The aim of optimization is to achieve the order of the free energies of levels, decreasing as their native-likeness increases. The procedure is iterative, and decoys of the training protein(s) generated with the energy-function parameters of the preceding iteration are used to optimize the force field in a current iteration. We applied the multiplexing replica exchange molecular dynamics (MREMD) method, recently implemented in UNRES, to generate decoys; with this modification, conformational entropy is taken into account. Moreover, we optimized the free-energy gaps between levels at temperatures corresponding to a predominance of folded or unfolded structures, as well as to structures at the putative folding-transition temperature, changing the sign of the gaps at the transition temperature. This enabled us to obtain force fields characterized by a single peak in the heat capacity at the transition temperature. Furthermore, we introduced temperature dependence to the UNRES force field; this is consistent with the fact that it is a free-energy and not a potential-energy function. PMID:17201450

Elastic behavior of brain simulants in comparison to porcine brain at different loading velocities.

PubMed

Falland-Cheung, Lisa; Scholze, Mario; Hammer, Niels; Waddell, J Neil; Tong, Darryl C; Brunton, Paul A

2018-01-01

Blunt force impacts to the head and the resulting internal force transmission to the brain and other cranial tissue are difficult to measure. To model blunt force impact scenarios, the compressive properties resembling tissue elasticity are of importance. Therefore, this study investigated and compared the elastic behavior of gelatin, alginate, agar/glycerol and agar/glycerol/water simulant materials to that of porcine brain in a fresh and unfixed condition. Specimens, 10 × 10 × 10mm 3 , were fabricated and tested at 22°C, apart from gelatin which was conditioned to 4°C prior to testing. For comparison, fresh porcine brains were sourced and prepared to the same dimensions as the simulants. Specimens underwent compression tests at crosshead displacement rates of 2.5, 10 and 16mms -1 (equivalent to strain rates of 0.25, 1 and 1.6s -1 ), obtaining apparent elastic moduli values at different strain rate intervals (0-0.2, 0.2-0.4 and 0.4-0.5). The results of this study indicate that overall all simulant materials had an apparent elastic moduli similar in magnitude across all strain ranges compared to brain, even though comparatively higher, especially the apparent elastic moduli values of alginate. In conclusion, while agar/glycerol/water and agar/glycerol had similar apparent elastic moduli in magnitude and the closest apparent elastic moduli in the initial strain range (E 1 ), gelatin showed the most similar values to fresh porcine brain at the transitional (E 2 ) and higher strain range (E 3 ). The simulant materials and the fresh porcine brain exhibited strain rate dependent behavior, with increasing elastic moduli upon increasing loading velocities. Copyright © 2017 Elsevier Ltd. All rights reserved.

Particle force model effects in a shock-driven multiphase instability

NASA Astrophysics Data System (ADS)

Black, W. J.; Denissen, N.; McFarland, J. A.

2018-05-01

This work presents simulations on a shock-driven multiphase instability (SDMI) at an initial particle volume fraction of 1% with the addition of a suite of particle force models applicable in dense flows. These models include pressure-gradient, added-mass, and interparticle force terms in an effort to capture the effects neighboring particles have in non-dilute flow regimes. Two studies are presented here: the first seeks to investigate the individual contributions of the force models, while the second study focuses on examining the effect of these force models on the hydrodynamic evolution of a SDMI with various particle relaxation times (particle sizes). In the force study, it was found that the pressure gradient and interparticle forces have little effect on the instability under the conditions examined, while the added-mass force decreases the vorticity deposition and alters the morphology of the instability. The relaxation-time study likewise showed a decrease in metrics associated with the evolution of the SDMI for all sizes when the particle force models were included. The inclusion of these models showed significant morphological differences in both the particle and carrier species fields, which increased as particle relaxation times increased.

Force control compensation method with variable load stiffness and damping of the hydraulic drive unit force control system

NASA Astrophysics Data System (ADS)

Kong, Xiangdong; Ba, Kaixian; Yu, Bin; Cao, Yuan; Zhu, Qixin; Zhao, Hualong

2016-05-01

Each joint of hydraulic drive quadruped robot is driven by the hydraulic drive unit (HDU), and the contacting between the robot foot end and the ground is complex and variable, which increases the difficulty of force control inevitably. In the recent years, although many scholars researched some control methods such as disturbance rejection control, parameter self-adaptive control, impedance control and so on, to improve the force control performance of HDU, the robustness of the force control still needs improving. Therefore, how to simulate the complex and variable load characteristics of the environment structure and how to ensure HDU having excellent force control performance with the complex and variable load characteristics are key issues to be solved in this paper. The force control system mathematic model of HDU is established by the mechanism modeling method, and the theoretical models of a novel force control compensation method and a load characteristics simulation method under different environment structures are derived, considering the dynamic characteristics of the load stiffness and the load damping under different environment structures. Then, simulation effects of the variable load stiffness and load damping under the step and sinusoidal load force are analyzed experimentally on the HDU force control performance test platform, which provides the foundation for the force control compensation experiment research. In addition, the optimized PID control parameters are designed to make the HDU have better force control performance with suitable load stiffness and load damping, under which the force control compensation method is introduced, and the robustness of the force control system with several constant load characteristics and the variable load characteristics respectively are comparatively analyzed by experiment. The research results indicate that if the load characteristics are known, the force control compensation method presented in this paper has positive compensation effects on the load characteristics variation, i.e., this method decreases the effects of the load characteristics variation on the force control performance and enhances the force control system robustness with the constant PID parameters, thereby, the online PID parameters tuning control method which is complex needs not be adopted. All the above research provides theoretical and experimental foundation for the force control method of the quadruped robot joints with high robustness.

Research on the Micro Sheet Stamping Process Using Plasticine as Soft Punch

PubMed Central

Wang, Xiao; Zhang, Di; Gu, Chunxing; Shen, Zongbao; Liu, Huixia

2014-01-01

Plasticine is widely used in the analysis of metal forming processes, due to its excellent material flow ability. In this study, plasticine is used as the soft punch to fabricate array micro-channels on metal sheet in the micro sheet stamping process. This is because plasticine can produce a large material flow after being subjected to force and through the material flow, the plasticine can cause the sheet to fill into the micro-channels of the rigid die, leading to the generation of micro-channels in the sheet. The distribution of array micro-channels was investigated as well as the influence of load forces on the sheet deformations. It was found that the depth of micro-channels increases as the load force increases. When the load force reaches a certain level, a crack can be observed. The micro sheet stamping process was also investigated by the method of numerical simulation. The obtained experimental and numerical results for the stamping process showed that they were in good agreement. Additionally, from the simulation results, it can be seen that the corner region of the micro-channel-shape work piece has a risk to crack due to the existence of maximum von Mises stress and significant thinning. PMID:28788668

Modifying landing mat material properties may decrease peak contact forces but increase forefoot forces in gymnastics landings.

PubMed

Mills, Chris; Yeadon, Maurice R; Pain, Matthew T G

2010-09-01

This study investigated how changes in the material properties of a landing mat could minimise ground reaction forces (GRF) and internal loading on a gymnast during landing. A multi-layer model of a gymnastics competition landing mat and a subject-specific seven-link wobbling mass model of a gymnast were developed to address this aim. Landing mat properties (stiffness and damping) were optimised using a Simplex algorithm to minimise GRF and internal loading. The optimisation of the landing mat parameters was characterised by minimal changes to the mat's stiffness (<0.5%) but increased damping (272%) compared to the competition landing mat. Changes to the landing mat resulted in reduced peak vertical and horizontal GRF and reduced bone bending moments in the shank and thigh compared to a matching simulation. Peak bone bending moments within the thigh and shank were reduced by 6% from 321.5 Nm to 302.5Nm and GRF by 12% from 8626 N to 7552 N when compared to a matching simulation. The reduction in these forces may help to reduce the risk of bone fracture injury associated with a single landing and reduce the risk of a chronic injury such as a stress fracture.

Molecular dynamics simulation of sodium aluminosilicate glass structures and glass surface-water reactions using the reactive force field (ReaxFF)

NASA Astrophysics Data System (ADS)

Dongol, R.; Wang, L.; Cormack, A. N.; Sundaram, S. K.

2018-05-01

Reactive potentials are increasingly used to study the properties of glasses and glass water reactions in a reactive molecular dynamics (MD) framework. In this study, we have simulated a ternary sodium aluminosilicate glass and investigated the initial stages of the glass surface-water reactions at 300 K using reactive force field (ReaxFF). On comparison of the simulated glass structures generated using ReaxFF and classical Buckingham potentials, our results show that the atomic density profiles calculated for the surface glass structures indicate a bond-angle distribution dependency. The atomic density profiles also show higher concentrations of non-bridging oxygens (NBOs) and sodium ions at the glass surface. Additionally, we present our results of formation of silanol species and the diffusion of water molecules at the glass surface using ReaxFF.

Lipid-converter, a framework for lipid manipulations in molecular dynamics simulations

PubMed Central

Larsson, Per; Kasson, Peter M.

2014-01-01

Construction of lipid membrane and membrane protein systems for molecular dynamics simulations can be a challenging process. In addition, there are few available tools to extend existing studies by repeating simulations using other force fields and lipid compositions. To facilitate this, we introduce lipidconverter, a modular Python framework for exchanging force fields and lipid composition in coordinate files obtained from simulations. Force fields and lipids are specified by simple text files, making it easy to introduce support for additional force fields and lipids. The converter produces simulation input files that can be used for structural relaxation of the new membranes. PMID:25081234

Factors influencing initial cup stability in total hip arthroplasty.

PubMed

Amirouche, Farid; Solitro, Giovanni; Broviak, Stefanie; Gonzalez, Mark; Goldstein, Wayne; Barmada, Riad

2014-12-01

One of the main goals in total hip replacement is to preserve the integrity of the hip kinematics, by well positioning the cup and to make sure its initial stability is congruent and attained. Achieving the latter is not trivial. A finite element model of the cup-bone interface simulating a realistic insertion and analysis of different scenarios of cup penetration, insertion, under-reaming and loading is investigated to determine certain measurable factors sensitivity to stress-strain outcome. The insertion force during hammering and its relation to the cup penetration during implantation is also investigated with the goal of determining the initial stability of the acetabular cup during total hip arthroplasty. The mathematical model was run in various configurations to simulate 1 and 2mm of under-reaming at various imposed insertion distances to mimic hammering and insertion of cup insertion into the pelvis. Surface contact and micromotion at the cup-bone interface were evaluated after simulated cup insertion and post-operative loading conditions. The results suggest a direct correlation between under-reaming and insertion force used to insert the acetabular cup on the micromotion and fixation at the cup-bone interface. While increased under-reaming and insertion force result in an increase amount of stability at the interface, approximately the same percentage of surface contact and micromotion reduction can be achieved with less insertion force. We need to exercise caution to determine the optimal configuration which achieves a good conformity without approaching the yield strength for bone. Copyright © 2014 Elsevier Ltd. All rights reserved.

Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.

PubMed

Heinz, Hendrik; Ramezani-Dakhel, Hadi

2016-01-21

Natural and man-made materials often rely on functional interfaces between inorganic and organic compounds. Examples include skeletal tissues and biominerals, drug delivery systems, catalysts, sensors, separation media, energy conversion devices, and polymer nanocomposites. Current laboratory techniques are limited to monitor and manipulate assembly on the 1 to 100 nm scale, time-consuming, and costly. Computational methods have become increasingly reliable to understand materials assembly and performance. This review explores the merit of simulations in comparison to experiment at the 1 to 100 nm scale, including connections to smaller length scales of quantum mechanics and larger length scales of coarse-grain models. First, current simulation methods, advances in the understanding of chemical bonding, in the development of force fields, and in the development of chemically realistic models are described. Then, the recognition mechanisms of biomolecules on nanostructured metals, semimetals, oxides, phosphates, carbonates, sulfides, and other inorganic materials are explained, including extensive comparisons between modeling and laboratory measurements. Depending on the substrate, the role of soft epitaxial binding mechanisms, ion pairing, hydrogen bonds, hydrophobic interactions, and conformation effects is described. Applications of the knowledge from simulation to predict binding of ligands and drug molecules to the inorganic surfaces, crystal growth and shape development, catalyst performance, as well as electrical properties at interfaces are examined. The quality of estimates from molecular dynamics and Monte Carlo simulations is validated in comparison to measurements and design rules described where available. The review further describes applications of simulation methods to polymer composite materials, surface modification of nanofillers, and interfacial interactions in building materials. The complexity of functional multiphase materials creates opportunities to further develop accurate force fields, including reactive force fields, and chemically realistic surface models, to enable materials discovery at a million times lower computational cost compared to quantum mechanical methods. The impact of modeling and simulation could further be increased by the advancement of a uniform simulation platform for organic and inorganic compounds across the periodic table and new simulation methods to evaluate system performance in silico.

Preparing for Large-Force Exercises with Distributed Simulation: A Panel Presentation

DTIC Science & Technology

2010-07-01

Preparing for Large Force Exercises with Distributed Simulation: A Panel Presentation Peter Crane, Winston Bennett, Michael France Air Force...used distributed simulation training to complement live-fly exercises to prepare for LFEs. In this panel presentation , the speakers will describe... presentations on how detailed analysis of training needs is necessary to structure simulator scenarios and how future training exercises could be made more

Shear thickening in suspensions: the lubricated-to-frictional contact scenario

NASA Astrophysics Data System (ADS)

Morris, Jeffrey

2017-11-01

Suspensions of solid particles in viscous liquids can vary from low-viscosity liquids to wet granular materials or soft solids depending on the solids loading and the forces acting between particles. When the particles are very concentrated, these mixtures are ''dense suspensions.'' Dense suspensions often exhibit shear thickening, an increase in apparent viscosity as the shear rate is increased. In its most extreme form, order of magnitude increases in viscosity over such a narrow range in shear rate occur that the term discontinuous shear thickening (DST) is applied. DST is particularly striking as it occurs in the relatively simple case of nearly hard spheres in a Newtonian liquid, and is found to take place for submicron particles in colloidal dispersions to much larger particle corn starch dispersions. We focus on simulations of a recently developed ``lubricated-to-frictional'' rheology in which the interplay of viscous lubrication, repulsive surface forces, and contact friction between particle surfaces provides a scenario to explain DST. Our simulation method brings together elements of the discrete-element method from granular flow with a simplified Stokesian Dynamics, and can rationalize not only the abrupt change in properties with imposed shear rate (or shear stress), but also the magnitude of the change. The large change in properties is associated with the breakdown of lubricating films between particles, with activation of Coulomb friction between particles. The rate dependence is caused by the shearing forces driving particles to contact, overwhelming conservative repulsive forces between surfaces; the repulsive forces are representative of colloidal stabilization by surface charge or steric effects, e.g. due to adsorbed polymer. The results of simulation are compared to developments by other groups, including a number of experimental studies and a theory incorporating the same basic elements as the simulation. The comparison to experiments of the predictions of the lubricated-to-frictional rheology is generally good, but discrepancies demand some perspective on the strong simplifying assumptions in the model. Since contact is difficult to both establish and to characterize for surfaces between particles of micron scale or smaller, what is happening in the very close ``contacts'' is not clear, and how changes at this scale give rise to the large-scale force organization is yet to be established. The insight to the elements needed for the abrupt flow induced transition seen in DST thus suggests a need for consideration of both the microscopic physics of contact and the statistical physics governing the macroscopic properties. This work was supported in part by the NSF CBET program, Grant # 1605283.

Coupled binding-bending-folding: The complex conformational dynamics of protein-DNA binding studied by atomistic molecular dynamics simulations.

PubMed

van der Vaart, Arjan

2015-05-01

Protein-DNA binding often involves dramatic conformational changes such as protein folding and DNA bending. While thermodynamic aspects of this behavior are understood, and its biological function is often known, the mechanism by which the conformational changes occur is generally unclear. By providing detailed structural and energetic data, molecular dynamics simulations have been helpful in elucidating and rationalizing protein-DNA binding. This review will summarize recent atomistic molecular dynamics simulations of the conformational dynamics of DNA and protein-DNA binding. A brief overview of recent developments in DNA force fields is given as well. Simulations have been crucial in rationalizing the intrinsic flexibility of DNA, and have been instrumental in identifying the sequence of binding events, the triggers for the conformational motion, and the mechanism of binding for a number of important DNA-binding proteins. Molecular dynamics simulations are an important tool for understanding the complex binding behavior of DNA-binding proteins. With recent advances in force fields and rapid increases in simulation time scales, simulations will become even more important for future studies. This article is part of a Special Issue entitled Recent developments of molecular dynamics. Copyright © 2014. Published by Elsevier B.V.

Assessment of upper-ocean variability and the Madden-Julian Oscillation in extended-range air-ocean coupled mesoscale simulations

NASA Astrophysics Data System (ADS)

Hong, Xiaodong; Reynolds, Carolyn A.; Doyle, James D.; May, Paul; O'Neill, Larry

2017-06-01

Atmosphere-ocean interaction, particular the ocean response to strong atmospheric forcing, is a fundamental component of the Madden-Julian Oscillation (MJO). In this paper, we examine how model errors in previous Madden-Julian Oscillation (MJO) events can affect the simulation of subsequent MJO events due to increased errors that develop in the upper-ocean before the MJO initiation stage. Two fully coupled numerical simulations with 45-km and 27-km horizontal resolutions were integrated for a two-month period from November to December 2011 using the Navy's limited area Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS®). There are three MJO events that occurred subsequently in early November, mid-November, and mid-December during the simulations. The 45-km simulation shows an excessive warming of the SSTs during the suppressed phase that occurs before the initiation of the second MJO event due to erroneously strong surface net heat fluxes. The simulated second MJO event stalls over the Maritime Continent which prevents the recovery of the deep mixed layer and associated barrier layer. Cross-wavelet analysis of solar radiation and SSTs reveals that the diurnal warming is absent during the second suppressed phase after the second MJO event. The mixed layer heat budget indicates that the cooling is primarily caused by horizontal advection associated with the stalling of the second MJO event and the cool SSTs fail to initiate the third MJO event. When the horizontal resolution is increased to 27-km, three MJOs are simulated and compare well with observations on multi-month timescales. The higher-resolution simulation of the second MJO event and more-realistic upper-ocean response promote the onset of the third MJO event. Simulations performed with analyzed SSTs indicate that the stalling of the second MJO in the 45-km run is a robust feature, regardless of ocean forcing, while the diurnal cycle analysis indicates that both 45-km and 27-km ocean resolutions respond realistically when provided with realistic atmospheric forcing. Thus, the problem in the 45-km simulation appears to originate in the atmosphere. Additional simulations show that while the details of the simulations are sensitive to small changes in the initial integration time, the large differences between the 45-km and 27-km runs during the suppressed phase in early December are robust.

Computational aspects of real-time simulation of rotary-wing aircraft. M.S. Thesis

NASA Technical Reports Server (NTRS)

Houck, J. A.

1976-01-01

A study was conducted to determine the effects of degrading a rotating blade element rotor mathematical model suitable for real-time simulation of rotorcraft. Three methods of degradation were studied, reduction of number of blades, reduction of number of blade segments, and increasing the integration interval, which has the corresponding effect of increasing blade azimuthal advance angle. The three degradation methods were studied through static trim comparisons, total rotor force and moment comparisons, single blade force and moment comparisons over one complete revolution, and total vehicle dynamic response comparisons. Recommendations are made concerning model degradation which should serve as a guide for future users of this mathematical model, and in general, they are in order of minimum impact on model validity: (1) reduction of number of blade segments; (2) reduction of number of blades; and (3) increase of integration interval and azimuthal advance angle. Extreme limits are specified beyond which a different rotor mathematical model should be used.

Effects of rotor model degradation on the accuracy of rotorcraft real time simulation

NASA Technical Reports Server (NTRS)

Houck, J. A.; Bowles, R. L.

1976-01-01

The effects are studied of degrading a rotating blade element rotor mathematical model to meet various real-time simulation requirements of rotorcraft. Three methods of degradation were studied: reduction of number of blades, reduction of number of blade segments, and increasing the integration interval, which has the corresponding effect of increasing blade azimuthal advance angle. The three degradation methods were studied through static trim comparisons, total rotor force and moment comparisons, single blade force and moment comparisons over one complete revolution, and total vehicle dynamic response comparisons. Recommendations are made concerning model degradation which should serve as a guide for future users of this mathematical model, and in general, they are in order of minimum impact on model validity: (1) reduction of number of blade segments, (2) reduction of number of blades, and (3) increase of integration interval and azimuthal advance angle. Extreme limits are specified beyond which the rotating blade element rotor mathematical model should not be used.

Wheelchair pushing and turning: lumbar spine and shoulder loads and recommended limits.

PubMed

Weston, Eric B; Khan, Safdar N; Marras, William S

2017-12-01

The objective of this study was to determine how simulated manual wheelchair pushing influences biomechanical loading to the lumbar spine and shoulders. Sixty-two subjects performed simulated wheelchair pushing and turning in a laboratory. An electromyography-assisted biomechanical model was used to estimate spinal loads. Moments at the shoulder joint, external hand forces and net turning torque were also assessed. Multiple linear regression techniques were employed to develop biomechanically based wheelchair pushing guidelines relating resultant hand force or net torque to spinal load. Male subjects experienced significantly greater spinal loading (p < 0.01), and spine loads were also increased for wheelchair turning compared to straight wheelchair pushing (p < 0.001). Biomechanically determined maximum acceptable resultant hand forces were 17-18% lower than psychophysically determined limits. We conclude that manual wheelchair pushing and turning can pose biomechanical risk to the lumbar spine and shoulders. Psychophysically determined maximum acceptable push forces do not appear to be protective enough of this biomechanical risk. Practitioner Summary: This laboratory study investigated biomechanical risk to the low back and shoulders during simulated wheelchair pushing. Manual wheelchair pushing posed biomechanical risk to the lumbar spine (in compression and A/P shear) and to the shoulders. Biomechanically determined wheelchair pushing thresholds are presented and are more protective than the closest psychophysically determined equivalents.

Off the beaten path: a new approach to realistically model the orbital decay of supermassive black holes in galaxy formation simulations

NASA Astrophysics Data System (ADS)

Tremmel, M.; Governato, F.; Volonteri, M.; Quinn, T. R.

2015-08-01

We introduce a sub-grid force correction term to better model the dynamical friction experienced by a supermassive black hole (SMBH) as it orbits within its host galaxy. This new approach accurately follows an SMBH's orbital decay and drastically improves over commonly used `advection' methods. The force correction introduced here naturally scales with the force resolution of the simulation and converges as resolution is increased. In controlled experiments, we show how the orbital decay of the SMBH closely follows analytical predictions when particle masses are significantly smaller than that of the SMBH. In a cosmological simulation of the assembly of a small galaxy, we show how our method allows for realistic black hole orbits. This approach overcomes the limitations of the advection scheme, where black holes are rapidly and artificially pushed towards the halo centre and then forced to merge, regardless of their orbits. We find that SMBHs from merging dwarf galaxies can spend significant time away from the centre of the remnant galaxy. Improving the modelling of SMBH orbital decay will help in making robust predictions of the growth, detectability and merger rates of SMBHs, especially at low galaxy masses or at high redshift.

Soviet fertility, labor-force participation, and marital stability.

PubMed

Kuniansky, A

1983-06-01

A simultaneous-equations model of Soviet fertility and labor-force participation is estimated from a cross section of 72 oblast's of the Russian Republic (RSFSR) reported in the 1970 census. The construction of the model is based on the neoclassical theory of household behavior. Simulated changes capture effects of policy changes in the exogenous variables on Soviet fertility and the female labor supply. The exogenous variables investigated are child care facilities (CC), urbanization ratio (URB), male education (MALED), and female education (FEMED). It was found that an increase in FEMED affects labor force participation (LFP) directly and indirectly through impact on birth rate (BR). Increase in CC raise both LFP and BR; increases in FEMED causes womens withdrawal from the labor force and one would expect this to raise BR; however, FEMED raises the opportunity costs of fertility sufficiently to neutralize this effect. Increasing urbanization does not affect participation in a significant way, but it does retard fertility. This effect works through LFP's impact on BR and the indirect effect working through marital stability. A final set of simulations captured the impact of upward shocks of LFP, BR, and the ratio of divorces to marriages (DIV/MAR) on the endogenous variables. Such changes could occur through changes in abortion laws, tightening of divorce laws, or changes in labor legislation. Participation is reduced by the fertility shock, just as fertility is retarded by the LPF and marital stability shocks. Evidence of a backward-bending labor-supply curve was also found. The model is illustrated by tables and charts.

Computational fluid dynamic (CFD) analysis on ALUDRA SR-10 UAV with parachute recovery system

NASA Astrophysics Data System (ADS)

Saim, R.; Mohd, S.; Shamsudin, S. S.; Zulkifli, M. F.; Omar, Z.; Subari@Rahmat, Z.; Masrom, M. F. Mohd; Zaki, Y.

2017-09-01

In an operation, belly landing is mostly applied as recovery method especially on research Unmanned Aerial Vehicle (UAV) such as Aludra SR-10. This type of landing method may encounter tough landing on hard soil and gravel which create high impact load on the aircraft. The impact may cause structural or system damage which costly to be repaired. Nowadays, Parachute Recovery System (PRS) recently used in numerous different tasks such as landing purpose to replace belly landing technique. Parachute use in this system to slow down flying or falling UAV to a safe landing by opening the canopy to increase aerodynamic drag. This paper was described the Computational Fluid Dynamic (CFD) analysis on ALUDRA SR-10 model with two different conditions i.e. the UAV equipped with and without parachute in order to identify the changes of aerodynamic characteristics. This simulation studies using solid models of aircraft and hemisphere parachute and was carried out by using ANSYS 16.0 Fluent under steady and turbulent flow and was modelled using the k-epsilon (k-ε) turbulence model. This simulation was limited to determine the drag force and drag coefficient. The obtained result showed that implementation of parachute increase 0.25 drag coefficient of the aircraft that is from 0.93 to 1.18. Subsequent to the reduction of descent rate caused by the parachute, the drag force of the aircraft increase by 0.76N. These increasing of drag force of the aircraft will produce lower terminal velocity which is expected to reduce the impact force on the aircraft during landing.

Mechanical modeling and characteristic study for the adhesive contact of elastic layered media

NASA Astrophysics Data System (ADS)

Zhang, Yuyan; Wang, Xiaoli; Tu, Qiaoan; Sun, Jianjun; Ma, Chenbo

2017-11-01

This paper investigates the adhesive contact between a smooth rigid sphere and a smooth elastic layered medium with different layer thicknesses, layer-to-substrate elastic modulus ratios and adhesion energy ratios. A numerical model is established by combining elastic responses of the contact system and an equation of equivalent adhesive contact pressure which is derived based on the Hamaker summation method and the Lennard-Jones intermolecular potential law. Simulation results for hard layer cases demonstrate that variation trends of the pull-off force with the layer thickness and elastic modulus ratio are complex. On one hand, when the elastic modulus ratio increases, the pull-off force decreases at smaller layer thicknesses, decreases at first and then increases at middle layer thicknesses, while increases monotonously at larger layer thicknesses. On the other hand, the pull-off force decreases at first and then increases with the increase in the layer thickness. Furthermore, a critical layer thickness above which the introduction of hard layer cannot reduce adhesion and an optimum layer thickness under which the pull-off force reaches a minimum are found. Both the critical and optimum layer thicknesses become larger with an increase in the Tabor parameter, while they tend to decrease with the increase in the elastic modulus ratio. In addition, the pull-off force increases sublinearly with the adhesion energy ratio if the layer thickness and elastic modulus ratio are fixed.

Study of Particle Rotation Effect in Gas-Solid Flows using Direct Numerical Simulation with a Lattice Boltzmann Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwon, Kyung; Fan, Liang-Shih; Zhou, Qiang

A new and efficient direct numerical method with second-order convergence accuracy was developed for fully resolved simulations of incompressible viscous flows laden with rigid particles. The method combines the state-of-the-art immersed boundary method (IBM), the multi-direct forcing method, and the lattice Boltzmann method (LBM). First, the multi-direct forcing method is adopted in the improved IBM to better approximate the no-slip/no-penetration (ns/np) condition on the surface of particles. Second, a slight retraction of the Lagrangian grid from the surface towards the interior of particles with a fraction of the Eulerian grid spacing helps increase the convergence accuracy of the method. Anmore » over-relaxation technique in the procedure of multi-direct forcing method and the classical fourth order Runge-Kutta scheme in the coupled fluid-particle interaction were applied. The use of the classical fourth order Runge-Kutta scheme helps the overall IB-LBM achieve the second order accuracy and provides more accurate predictions of the translational and rotational motion of particles. The preexistent code with the first-order convergence rate is updated so that the updated new code can resolve the translational and rotational motion of particles with the second-order convergence rate. The updated code has been validated with several benchmark applications. The efficiency of IBM and thus the efficiency of IB-LBM were improved by reducing the number of the Lagragian markers on particles by using a new formula for the number of Lagrangian markers on particle surfaces. The immersed boundary-lattice Boltzmann method (IBLBM) has been shown to predict correctly the angular velocity of a particle. Prior to examining drag force exerted on a cluster of particles, the updated IB-LBM code along with the new formula for the number of Lagrangian markers has been further validated by solving several theoretical problems. Moreover, the unsteadiness of the drag force is examined when a fluid is accelerated from rest by a constant average pressure gradient toward a steady Stokes flow. The simulation results agree well with the theories for the short- and long-time behavior of the drag force. Flows through non-rotational and rotational spheres in simple cubic arrays and random arrays are simulated over the entire range of packing fractions, and both low and moderate particle Reynolds numbers to compare the simulated results with the literature results and develop a new drag force formula, a new lift force formula, and a new torque formula. Random arrays of solid particles in fluids are generated with Monte Carlo procedure and Zinchenko's method to avoid crystallization of solid particles over high solid volume fractions. A new drag force formula was developed with extensive simulated results to be closely applicable to real processes over the entire range of packing fractions and both low and moderate particle Reynolds numbers. The simulation results indicate that the drag force is barely affected by rotational Reynolds numbers. Drag force is basically unchanged as the angle of the rotating axis varies.« less

State-dependent climate sensitivity in past warm climates and its implications for future climate projections.

PubMed

Caballero, Rodrigo; Huber, Matthew

2013-08-27

Projections of future climate depend critically on refined estimates of climate sensitivity. Recent progress in temperature proxies dramatically increases the magnitude of warming reconstructed from early Paleogene greenhouse climates and demands a close examination of the forcing and feedback mechanisms that maintained this warmth and the broad dynamic range that these paleoclimate records attest to. Here, we show that several complementary resolutions to these questions are possible in the context of model simulations using modern and early Paleogene configurations. We find that (i) changes in boundary conditions representative of slow "Earth system" feedbacks play an important role in maintaining elevated early Paleogene temperatures, (ii) radiative forcing by carbon dioxide deviates significantly from pure logarithmic behavior at concentrations relevant for simulation of the early Paleogene, and (iii) fast or "Charney" climate sensitivity in this model increases sharply as the climate warms. Thus, increased forcing and increased slow and fast sensitivity can all play a substantial role in maintaining early Paleogene warmth. This poses an equifinality problem: The same climate can be maintained by a different mix of these ingredients; however, at present, the mix cannot be constrained directly from climate proxy data. The implications of strongly state-dependent fast sensitivity reach far beyond the early Paleogene. The study of past warm climates may not narrow uncertainty in future climate projections in coming centuries because fast climate sensitivity may itself be state-dependent, but proxies and models are both consistent with significant increases in fast sensitivity with increasing temperature.

On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Fu, Yao; Song, Jeong-Hoon

2014-08-01

Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifies the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.

Evaluation of automated decisionmaking methodologies and development of an integrated robotic system simulation

NASA Technical Reports Server (NTRS)

Haley, D. C.; Almand, B. J.; Thomas, M. M.; Krauze, L. D.; Gremban, K. D.; Sanborn, J. C.; Kelly, J. H.; Depkovich, T. M.

1984-01-01

A generic computer simulation for manipulator systems (ROBSIM) was implemented and the specific technologies necessary to increase the role of automation in various missions were developed. The specific items developed are: (1) capability for definition of a manipulator system consisting of multiple arms, load objects, and an environment; (2) capability for kinematic analysis, requirements analysis, and response simulation of manipulator motion; (3) postprocessing options such as graphic replay of simulated motion and manipulator parameter plotting; (4) investigation and simulation of various control methods including manual force/torque and active compliances control; (5) evaluation and implementation of three obstacle avoidance methods; (6) video simulation and edge detection; and (7) software simulation validation.

Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins.

PubMed

Mercadante, Davide; Wagner, Johannes A; Aramburu, Iker V; Lemke, Edward A; Gräter, Frauke

2017-09-12

Molecular dynamics (MD) simulations have valuably complemented experiments describing the dynamics of intrinsically disordered proteins (IDPs), particularly since the proposal of models to solve the artificial collapse of IDPs in silico. Such models suggest redefining nonbonded interactions, by either increasing water dispersion forces or adopting the Kirkwood-Buff force field. These approaches yield extended conformers that better comply with experiments, but it is unclear if they all sample the same intrachain dynamics of IDPs. We have tested this by employing MD simulations and single-molecule Förster resonance energy transfer spectroscopy to sample the dimensions of systems with different sequence compositions, namely strong and weak polyelectrolytes. For strong polyelectrolytes in which charge effects dominate, all the proposed solutions equally reproduce the expected ensemble's dimensions. For weak polyelectrolytes, at lower cutoffs, force fields abnormally alter intrachain dynamics, overestimating excluded volume over chain flexibility or reporting no difference between the dynamics of different chains. The TIP4PD water model alone can reproduce experimentally observed changes in extensions (dimensions), but not quantitatively and with only weak statistical significance. Force field limitations are reversed with increased interaction cutoffs, showing that chain dynamics are critically defined by the presence of long-range interactions. Force field analysis aside, our study provides the first insights into how long-range interactions critically define IDP dimensions and raises the question of which length range is crucial to correctly sample the overall dimensions and internal dynamics of the large group of weakly charged yet highly polar IDPs.

Visco-Resistive MHD Modeling Benchmark of Forced Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Beidler, M. T.; Hegna, C. C.; Sovinec, C. R.; Callen, J. D.; Ferraro, N. M.

2016-10-01

The presence of externally-applied 3D magnetic fields can affect important phenomena in tokamaks, including mode locking, disruptions, and edge localized modes. External fields penetrate into the plasma and can lead to forced magnetic reconnection (FMR), and hence magnetic islands, on resonant surfaces if the local plasma rotation relative to the external field is slow. Preliminary visco-resistive MHD simulations of FMR in a slab geometry are consistent with theory. Specifically, linear simulations exhibit proper scaling of the penetrated field with resistivity, viscosity, and flow, and nonlinear simulations exhibit a bifurcation from a flow-screened to a field-penetrated, magnetic island state as the external field is increased, due to the 3D electromagnetic force. These results will be compared to simulations of FMR in a circular cross-section, cylindrical geometry by way of a benchmark between the NIMROD and M3D-C1 extended-MHD codes. Because neither this geometry nor the MHD model has the physics of poloidal flow damping, the theory of will be expanded to include poloidal flow effects. The resulting theory will be tested with linear and nonlinear simulations that vary the resistivity, viscosity, flow, and external field. Supported by OFES DoE Grants DE-FG02-92ER54139, DE-FG02-86ER53218, DE-AC02-09CH11466, and the SciDAC Center for Extended MHD Modeling.

Variability of North Atlantic Hurricane Frequency in a Large Ensemble of High-Resolution Climate Simulations

NASA Astrophysics Data System (ADS)

Mei, W.; Kamae, Y.; Xie, S. P.

2017-12-01

Forced and internal variability of North Atlantic hurricane frequency during 1951-2010 is studied using a large ensemble of climate simulations by a 60-km atmospheric general circulation model that is forced by observed sea surface temperatures (SSTs). The simulations well capture the interannual-to-decadal variability of hurricane frequency in best track data, and further suggest a possible underestimate of hurricane counts in the current best track data prior to 1966 when satellite measurements were unavailable. A genesis potential index (GPI) averaged over the Main Development Region (MDR) accounts for more than 80% of the forced variations in hurricane frequency, with potential intensity and vertical wind shear being the dominant factors. In line with previous studies, the difference between MDR SST and tropical mean SST is a simple but useful predictor; a one-degree increase in this SST difference produces 7.1±1.4 more hurricanes. The hurricane frequency also exhibits internal variability that is comparable in magnitude to the interannual variability. The 100-member ensemble allows us to address the following important questions: (1) Are the observations equivalent to one realization of such a large ensemble? (2) How many ensemble members are needed to reproduce the variability in observations and in the forced component of the simulations? The sources of the internal variability in hurricane frequency will be identified and discussed. The results provide an explanation for the relatively week correlation ( 0.6) between MDR GPI and hurricane frequency on interannual timescales in observations.

Evaluation of a musculoskeletal model with prosthetic knee through six experimental gait trials.

PubMed

Kia, Mohammad; Stylianou, Antonis P; Guess, Trent M

2014-03-01

Knowledge of the forces acting on musculoskeletal joint tissues during movement benefits tissue engineering, artificial joint replacement, and our understanding of ligament and cartilage injury. Computational models can be used to predict these internal forces, but musculoskeletal models that simultaneously calculate muscle force and the resulting loading on joint structures are rare. This study used publicly available gait, skeletal geometry, and instrumented prosthetic knee loading data [1] to evaluate muscle driven forward dynamics simulations of walking. Inputs to the simulation were measured kinematics and outputs included muscle, ground reaction, ligament, and joint contact forces. A full body musculoskeletal model with subject specific lower extremity geometries was developed in the multibody framework. A compliant contact was defined between the prosthetic femoral component and tibia insert geometries. Ligament structures were modeled with a nonlinear force-strain relationship. The model included 45 muscles on the right lower leg. During forward dynamics simulations a feedback control scheme calculated muscle forces using the error signal between the current muscle lengths and the lengths recorded during inverse kinematics simulations. Predicted tibio-femoral contact force, ground reaction forces, and muscle forces were compared to experimental measurements for six different gait trials using three different gait types (normal, trunk sway, and medial thrust). The mean average deviation (MAD) and root mean square deviation (RMSD) over one gait cycle are reported. The muscle driven forward dynamics simulations were computationally efficient and consistently reproduced the inverse kinematics motion. The forward simulations also predicted total knee contact forces (166N

Non-Newtonian particulate flow simulation: A direct-forcing immersed boundary-lattice Boltzmann approach

NASA Astrophysics Data System (ADS)

Amiri Delouei, A.; Nazari, M.; Kayhani, M. H.; Kang, S. K.; Succi, S.

2016-04-01

In the current study, a direct-forcing immersed boundary-non-Newtonian lattice Boltzmann method (IB-NLBM) is developed to investigate the sedimentation and interaction of particles in shear-thinning and shear-thickening fluids. In the proposed IB-NLBM, the non-linear mechanics of non-Newtonian particulate flows is detected by combination of the most desirable features of immersed boundary and lattice Boltzmann methods. The noticeable roles of non-Newtonian behavior on particle motion, settling velocity and generalized Reynolds number are investigated by simulating benchmark problem of one-particle sedimentation under the same generalized Archimedes number. The effects of extra force due to added accelerated mass are analyzed on the particle motion which have a significant impact on shear-thinning fluids. For the first time, the phenomena of interaction among the particles, such as Drafting, Kissing, and Tumbling in non-Newtonian fluids are investigated by simulation of two-particle sedimentation and twelve-particle sedimentation. The results show that increasing the shear-thickening behavior of fluid leads to a significant increase in the kissing time. Moreover, the transverse position of particles for shear-thinning fluids during the tumbling interval is different from Newtonian and the shear-thickening fluids. The present non-Newtonian particulate study can be applied in several industrial and scientific applications, like the non-Newtonian sedimentation behavior of particles in food industrial and biological fluids.

Landscape dynamics and different climate forcings in eastern Mongolia

NASA Astrophysics Data System (ADS)

Moore, N. J.; John, R.; Chen, J.

2017-12-01

Central and Eastern Mongolia have witnessed significant decreasing greening from the period 2000-2012. This decline may be partially, directly due to increased grazing pressure from livestock. Our study objective is to understand how landscape change may be altering heat fluxes and precipitation. Using the RAMS 6.0 regional climate model, we simulated the spatiotemporal changes in growing-season precipitation and atmospheric behavior under: (a) observed vegetation, and (b) aggressively reduced vegetation, to prognose likely locations and changes of the regional climate that might have resulted from land cover changes (2001-2010). We simulated a dzud/drought year (using forcing from 2001) and a wet year (using forcing from 2003). Our simulations show increased cloud cover and reduced daily temperature ranges for northeastern Mongolia where forest growth has expanded. Localized differences of 60 W/m2 of sensible heat flux were found when degraded landscape cover replaced older, more dense cover. More importantly, the overall trend towards reduced vegetation cover was responsible for higher screen height temperatures and reduced soil moisture throughout much of the domain, together with a shift of moisture southward of Inner Mongolia. Thus, even with improved chances for convection, soil moisture reductions of 5-10% would lead to overall even drier conditions. In the steppe regions around the Gobi desert, more complex patterns are evident and landscape drivers are less clear.

Motivation and Technological Readiness in the Use of High-Fidelity Simulation: A Descriptive Comparative Study of Nurse Educators

ERIC Educational Resources Information Center

Duvall, Judy Jo

2012-01-01

There are many driving forces to increase the use of high-fidelity simulation (HFS) in nursing education, as well as many factors that may influence the implementation of this teaching strategy. These include the motivation of nurse educators to use HFS, the technological readiness of nurse educators to use HFS and the changing demographics of the…

Brush in the bath of active particles: Anomalous stretching of chains and distribution of particles

NASA Astrophysics Data System (ADS)

Li, Hui-shu; Zhang, Bo-kai; Li, Jian; Tian, Wen-de; Chen, Kang

2015-12-01

The interaction between polymer brush and colloidal particles has been intensively studied in the last two decades. Here, we consider a flat chain-grafted substrate immersed in a bath of active particles. Simulations show that an increase in the self-propelling force causes an increase in the number of particles that penetrate into the brush. Anomalously, the particle density inside the main body of the brush eventually becomes higher than that outside the brush at very large self-propelling force. The grafted chains are further stretched due to the steric repulsion from the intruded particles. Upon the increase of the self-propelling force, distinct stretching behaviors of the chains were observed for low and high grafting densities. Surprisingly, we find a weak descent of the average end-to-end distance of chains at high grafting density and very large force which is reminiscent of the compression effect of a chain in the active bath.

Imaging of viscoelastic soft matter with small indentation using higher eigenmodes in single-eigenmode amplitude-modulation atomic force microscopy.

PubMed

Nikfarjam, Miead; López-Guerra, Enrique A; Solares, Santiago D; Eslami, Babak

2018-01-01

In this short paper we explore the use of higher eigenmodes in single-eigenmode amplitude-modulation atomic force microscopy (AFM) for the small-indentation imaging of soft viscoelastic materials. In viscoelastic materials, whose response depends on the deformation rate, the tip-sample forces generated as a result of sample deformation increase as the tip velocity increases. Since the eigenfrequencies in a cantilever increase with eigenmode order, and since higher oscillation frequencies lead to higher tip velocities for a given amplitude (in viscoelastic materials), the sample indentation can in some cases be reduced by using higher eigenmodes of the cantilever. This effect competes with the lower sensitivity of higher eigenmodes, due to their larger force constant, which for elastic materials leads to greater indentation for similar amplitudes, compared with lower eigenmodes. We offer a short theoretical discussion of the key underlying concepts, along with numerical simulations and experiments to illustrate a simple recipe for imaging soft viscoelastic matter with reduced indentation.

Effects of Internal Waves on Sound Propagation in the Shallow Waters of the Continental Shelves

DTIC Science & Technology

2016-09-01

experiment area were largely generated by tidal forcing. Compared to simulations without internal waves , simulations accounting for the effects of...internal waves in the experiment area were largely generated by tidal forcing. Compared to simulations without internal waves , simulations accounting for...IN THE SHALLOW WATERS OF THE CONTINENTAL SHELVES ..................................4  1.  Internal Tides—Internal Waves Generated by Tidal Forcing

Performance of Inductors Attached to a Galvanizing Bath

NASA Astrophysics Data System (ADS)

Zhou, Xinping; Yuan, Shuo; Liu, Chi; Yang, Peng; Qian, Chaoqun; Song, Bao

2013-12-01

By taking a galvanizing bath with inductors from an Iron and Steel Co., Ltd as an example, the distributions of Lorentz force and generated heat in the inductor are simulated. As a result, the zinc flow and the temperature distribution driven by the Lorentz force and the generated heat in the inductor of a galvanizing bath are simulated numerically, and their characteristics are analyzed. The relationship of the surface-weighted average velocity at the outlet and the temperature difference between the inlet and the outlet and the effective power for the inductor is studied. Results show that with an increase in effective power for the inductor, the surface-weighted average velocity at the outlet and the temperature difference between the inlet and the outlet increase gradually. We envisage this work to lay a foundation for the study of the performance of the galvanizing bath in future.

Mesoscale Particle-Based Model of Electrophoretic Deposition

DOE PAGES

Giera, Brian; Zepeda-Ruiz, Luis A.; Pascall, Andrew J.; ...

2016-12-20

In this paper, we present and evaluate a semiempirical particle-based model of electrophoretic deposition using extensive mesoscale simulations. We analyze particle configurations in order to observe how colloids accumulate at the electrode and arrange into deposits. In agreement with existing continuum models, the thickness of the deposit increases linearly in time during deposition. Resulting colloidal deposits exhibit a transition between highly ordered and bulk disordered regions that can give rise to an appreciable density gradient under certain simulated conditions. The overall volume fraction increases and falls within a narrow range as the driving force due to the electric field increasesmore » and repulsive intercolloidal interactions decrease. We postulate ordering and stacking within the initial layer(s) dramatically impacts the microstructure of the deposits. Finally, we find a combination of parameters, i.e., electric field and suspension properties, whose interplay enhances colloidal ordering beyond the commonly known approach of only reducing the driving force.« less

Role of flexural stiffness of leukocyte microvilli in adhesion dynamics

NASA Astrophysics Data System (ADS)

Wu, Tai-Hsien; Qi, Dewei

2018-03-01

Previous work reported that microvillus deformation has an important influence on dynamics of cell adhesion. However, the existing studies were limited to the extensional deformation of microvilli and did not consider the effects of their bending deformation on cell adhesion. This Rapid Communication investigates the effects of flexural stiffness of microvilli on the rolling process related to adhesion of leukocytes by using a lattice-Boltzmann lattice-spring method (LLM) combined with adhesive dynamics (AD) simulations. The simulation results reveal that the flexural stiffness of microvilli and their bending deformation have a profound effect on rolling velocity and adhesive forces. As the flexural stiffness of the microvilli decreases, their bending angles increase, resulting in an increase in the number of receptor-ligand bonds and adhesive bonding force and a decrease in the rolling velocity of leukocytes. The effects of flexural stiffness on deformation and adhesion represent crucial factors involved in cell adhesion.

Study on the description method of upper limb's muscle force levels during simulated in-orbit operations

NASA Astrophysics Data System (ADS)

Zhao, Yan; Li, DongXu; Liu, ZhiZhen; Liu, Liang

2013-03-01

The dexterous upper limb serves as the most important tool for astronauts to implement in-orbit experiments and operations. This study developed a simulated weightlessness experiment and invented new measuring equipment to quantitatively evaluate the muscle ability of the upper limb. Isometric maximum voluntary contractions (MVCs) and surface electromyography (sEMG) signals of right-handed pushing at the three positions were measured for eleven subjects. In order to enhance the comprehensiveness and accuracy of muscle force assessment, the study focused on signal processing techniques. We applied a combination method, which consists of time-, frequency-, and bi-frequency-domain analyses. Time- and frequency-domain analyses estimated the root mean square (RMS) and median frequency (MDF) of sEMG signals, respectively. Higher order spectra (HOS) of bi-frequency domain evaluated the maximum bispectrum amplitude ( B max), Gaussianity level (Sg) and linearity level (S l ) of sEMG signals. Results showed that B max, S l , and RMS values all increased as force increased. MDF and Sg values both declined as force increased. The research demonstrated that the combination method is superior to the conventional time- and frequency-domain analyses. The method not only described sEMG signal amplitude and power spectrum, but also deeper characterized phase coupling information and non-Gaussianity and non-linearity levels of sEMG, compared to two conventional analyses. The finding from the study can aid ergonomist to estimate astronaut muscle performance, so as to optimize in-orbit operation efficacy and minimize musculoskeletal injuries.

Validating empirical force fields for molecular-level simulation of cellulose dissolution

USDA-ARS?s Scientific Manuscript database

The calculations presented here, which include dynamics simulations using analytical force fields and first principles studies, indicate that the COMPASS force field is preferred over the Dreiding and Universal force fields for studying dissolution of large cellulose structures. The validity of thes...

Two particle model for studying the effects of space-charge force on strong head-tail instabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.

In this paper, we present a new two particle model for studying the strong head-tail instabilities in the presence of the space-charge force. It is a simple expansion of the well-known two particle model for strong head-tail instability and is still analytically solvable. No chromaticity effect is included. It leads to a formula for the growth rate as a function of the two dimensionless parameters: the space-charge tune shift parameter (normalized by the synchrotron tune) and the wakefield strength, Upsilon. The three-dimensional contour plot of the growth rate as a function of those two dimensionless parameters reveals stopband structures. Manymore » simulation results generally indicate that a strong head-tail instability can be damped by a weak space-charge force, but the beam becomes unstable again when the space-charge force is further increased. The new two particle model indicates a similar behavior. In weak space-charge regions, additional tune shifts by the space-charge force dissolve the mode coupling. As the space-charge force is increased, they conversely restore the mode coupling, but then a further increase of the space-charge force decouples the modes again. Lastly, this mode coupling/decoupling behavior creates the stopband structures.« less

Two particle model for studying the effects of space-charge force on strong head-tail instabilities

DOE PAGES

Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.

2016-01-19

In this paper, we present a new two particle model for studying the strong head-tail instabilities in the presence of the space-charge force. It is a simple expansion of the well-known two particle model for strong head-tail instability and is still analytically solvable. No chromaticity effect is included. It leads to a formula for the growth rate as a function of the two dimensionless parameters: the space-charge tune shift parameter (normalized by the synchrotron tune) and the wakefield strength, Upsilon. The three-dimensional contour plot of the growth rate as a function of those two dimensionless parameters reveals stopband structures. Manymore » simulation results generally indicate that a strong head-tail instability can be damped by a weak space-charge force, but the beam becomes unstable again when the space-charge force is further increased. The new two particle model indicates a similar behavior. In weak space-charge regions, additional tune shifts by the space-charge force dissolve the mode coupling. As the space-charge force is increased, they conversely restore the mode coupling, but then a further increase of the space-charge force decouples the modes again. Lastly, this mode coupling/decoupling behavior creates the stopband structures.« less

Cutting process simulation of flat drill

NASA Astrophysics Data System (ADS)

Tamura, Shoichi; Matsumura, Takashi

2018-05-01

Flat drills at a point angle of 180 deg. have recently been developed for drilling of automobile parts with the inclination of the workpiece surfaces. The paper studies the cutting processes of the flat drills in the analytical simulation. A predictive force model is applied to simulation of the cutting force with the chip flow direction. The chip flow model is piled up with orthogonal cuttings in the plane containing the cutting velocities and the chip flow velocities, in which the chip flow direction is determined to minimize the cutting energy. Then, the cutting force is predicted in the determined in the chip flow model. The typical cutting force of the flat drill is discussed with comparing to that of the standard drill. The typical differences are confirmed in the cutting force change during the tool engagement and disengagement. The cutting force, then, is simulated in drilling for an inclined workpiece with a flat drill. The horizontal components in the cutting forces are simulated with changing the inclination angle of the plate. The horizontal force component in the flat drilling is stable to be controlled in terms of the machining accuracy and the tool breakage.

Sensitivity of estimated muscle force in forward simulation of normal walking

PubMed Central

Xiao, Ming; Higginson, Jill

2009-01-01

Generic muscle parameters are often used in muscle-driven simulations of human movement estimate individual muscle forces and function. The results may not be valid since muscle properties vary from subject to subject. This study investigated the effect of using generic parameters in a muscle-driven forward simulation on muscle force estimation. We generated a normal walking simulation in OpenSim and examined the sensitivity of individual muscle to perturbations in muscle parameters, including the number of muscles, maximum isometric force, optimal fiber length and tendon slack length. We found that when changing the number muscles included in the model, only magnitude of the estimated muscle forces was affected. Our results also suggest it is especially important to use accurate values of tendon slack length and optimal fiber length for ankle plantarflexors and knee extensors. Changes in force production one muscle were typically compensated for by changes in force production by muscles in the same functional muscle group, or the antagonistic muscle group. Conclusions regarding muscle function based on simulations with generic musculoskeletal parameters should be interpreted with caution. PMID:20498485

Systematic Validation of Protein Force Fields against Experimental Data

PubMed Central

Eastwood, Michael P.; Dror, Ron O.; Shaw, David E.

2012-01-01

Molecular dynamics simulations provide a vehicle for capturing the structures, motions, and interactions of biological macromolecules in full atomic detail. The accuracy of such simulations, however, is critically dependent on the force field—the mathematical model used to approximate the atomic-level forces acting on the simulated molecular system. Here we present a systematic and extensive evaluation of eight different protein force fields based on comparisons of experimental data with molecular dynamics simulations that reach a previously inaccessible timescale. First, through extensive comparisons with experimental NMR data, we examined the force fields' abilities to describe the structure and fluctuations of folded proteins. Second, we quantified potential biases towards different secondary structure types by comparing experimental and simulation data for small peptides that preferentially populate either helical or sheet-like structures. Third, we tested the force fields' abilities to fold two small proteins—one α-helical, the other with β-sheet structure. The results suggest that force fields have improved over time, and that the most recent versions, while not perfect, provide an accurate description of many structural and dynamical properties of proteins. PMID:22384157

Global Changes of the Water Cycle Intensity

NASA Technical Reports Server (NTRS)

Bosilovich, Michael G.; Schubert, Siegfried D.; Walker, Gregory K.

2003-01-01

In this study, we evaluate numerical simulations of the twentieth century climate, focusing on the changes in the intensity of the global water cycle. A new diagnostic of atmospheric water vapor cycling rate is developed and employed, that relies on constituent tracers predicted at the model time step. This diagnostic is compared to a simplified traditional calculation of cycling rate, based on monthly averages of precipitation and total water content. The mean sensitivity of both diagnostics to variations in climate forcing is comparable. However, the new diagnostic produces systematically larger values and more variability than the traditional average approach. Climate simulations were performed using SSTs of the early (1902-1921) and late (1979- 1998) twentieth century along with the appropriate C02 forcing. In general, the increase of global precipitation with the increases in SST that occurred between the early and late twentieth century is small. However, an increase of atmospheric temperature leads to a systematic increase in total precipitable water. As a result, the residence time of water in the atmosphere increased, indicating a reduction of the global cycling rate. This result was explored further using a number of 50-year climate simulations from different models forced with observed SST. The anomalies and trends in the cycling rate and hydrologic variables of different GCMs are remarkably similar. The global annual anomalies of precipitation show a significant upward trend related to the upward trend of surface temperature, during the latter half of the twentieth century. While this implies an increase in the hydrologic cycle intensity, a concomitant increase of total precipitable water again leads to a decrease in the calculated global cycling rate. An analysis of the land/sea differences shows that the simulated precipitation over land has a decreasing trend while the oceanic precipitation has an upward trend consistent with previous studies and the available observations. The decreasing continental trend in precipitation is located primarily over tropical land regions, with some other regions, such as North America experiencing an increasing trend. Precipitation trends are diagnosed further using the water tracers to delineate the precipitation that occurs because of continental evaporation, as opposed to oceanic evaporation. These diagnostics show that over global land areas, the recycling of continental moisture is decreasing in time. However, the recycling changes are not spatially uniform so that some regions, most notably over the United States, experience continental recycling of water that increases in time.

Simulation of shear thickening in attractive colloidal suspensions.

PubMed

Pednekar, Sidhant; Chun, Jaehun; Morris, Jeffrey F

2017-03-01

The influence of attractive forces between particles under conditions of large particle volume fraction, ϕ, is addressed using numerical simulations which account for hydrodynamic, Brownian, conservative and frictional contact forces. The focus is on conditions for which a significant increase in the apparent viscosity at small shear rates, and possibly the development of a yield stress, is observed. The high shear rate behavior for Brownian suspensions has been shown in recent work [R. Mari, R. Seto, J. F. Morris and M. M. Denn PNAS, 2015, 112, 15326-15330] to be captured by the inclusion of pairwise forces of two forms, one a contact frictional interaction and the second a repulsive force often found in stabilized colloidal dispersions. Under such conditions, shear thickening is observed when shear stress is comparable to the sum of the Brownian stress, kT/a 3 , and a characteristic stress based on the combination of interparticle force, i.e. σ ∼ F 0 /a 2 with kT the thermal energy, F 0 the repulsive force scale and a the particle radius. At sufficiently large ϕ, this shear thickening can be very abrupt. Here it is shown that when attractive interactions are present with the noted forces, the shear thickening is obscured, as the viscosity shear thins with increasing shear rate, eventually descending from an infinite value (yield stress conditions) to a plateau at large stress; this plateau is at the same level as the large-shear rate viscosity found in the shear thickened state without attractive forces. It is shown that this behavior is consistent with prior observations in shear thickening suspensions modified to be attractive through depletion flocculation [V. Gopalakrishnan and C. F. Zukoski J. Rheol., 2004, 48, 1321-1344]. The contributions of the contact, attractive, and hydrodynamics forces to the bulk stress are presented, as are the contact networks found at different attractive strengths.

Force-Sensing Enhanced Simulation Environment (ForSense) for laparoscopic surgery training and assessment.

PubMed

Cundy, Thomas P; Thangaraj, Evelyn; Rafii-Tari, Hedyeh; Payne, Christopher J; Azzie, Georges; Sodergren, Mikael H; Yang, Guang-Zhong; Darzi, Ara

2015-04-01

Excessive or inappropriate tissue interaction force during laparoscopic surgery is a recognized contributor to surgical error, especially for robotic surgery. Measurement of force at the tool-tissue interface is, therefore, a clinically relevant skill assessment variable that may improve effectiveness of surgical simulation. Popular box trainer simulators lack the necessary technology to measure force. The aim of this study was to develop a force sensing unit that may be integrated easily with existing box trainer simulators and to (1) validate multiple force variables as objective measurements of laparoscopic skill, and (2) determine concurrent validity of a revised scoring metric. A base plate unit sensitized to a force transducer was retrofitted to a box trainer. Participants of 3 different levels of operative experience performed 5 repetitions of a peg transfer and suture task. Multiple outcome variables of force were assessed as well as a revised scoring metric that incorporated a penalty for force error. Mean, maximum, and overall magnitudes of force were significantly different among the 3 levels of experience, as well as force error. Experts were found to exert the least force and fastest task completion times, and vice versa for novices. Overall magnitude of force was the variable most correlated with experience level and task completion time. The revised scoring metric had similar predictive strength for experience level compared with the standard scoring metric. Current box trainer simulators can be adapted for enhanced objective measurements of skill involving force sensing. These outcomes are significantly influenced by level of expertise and are relevant to operative safety in laparoscopic surgery. Conventional proficiency standards that focus predominantly on task completion time may be integrated with force-based outcomes to be more accurately reflective of skill quality. Copyright © 2015 Elsevier Inc. All rights reserved.

Cross-bridge mechanism of residual force enhancement after stretching in a skeletal muscle.

PubMed

Tamura, Youjiro

2018-01-01

A muscle model that uses a modified Langevin equation with actomyosin potentials was used to describe the residual force enhancement after active stretching. Considering that the new model uses cross-bridge theory to describe the residual force enhancement, it is different from other models that use passive stretching elements. Residual force enhancement was simulated using a half sarcomere comprising 100 myosin molecules. In this paper, impulse is defined as the integral of an excess force from the steady isometric force over the time interval for which a stretch is applied. The impulse was calculated from the force response due to fast and slow muscle stretches to demonstrate the viscoelastic property of the cross-bridges. A cross-bridge mechanism was proposed as a way to describe the residual force enhancement on the basis of the impulse results with reference to the compliance of the actin filament. It was assumed that the period of the actin potential increased by 0.5% and the amplitude of the potential decreased by 0.5% when the half sarcomere was stretched by 10%. The residual force enhancement after 21.0% sarcomere stretching was 6.9% of the maximum isometric force of the muscle; this value was due to the increase in the number of cross-bridges.

Evaluation of deflection forces of orthodontic wires with different ligation types.

PubMed

Henriques, José Fernando Castanha; Higa, Rodrigo Hitoshi; Semenara, Nayara Thiago; Janson, Guilherme; Fernandes, Thais Maria Freire; Sathler, Renata

2017-07-03

The aim of this study was to evaluate deflection forces of orthodontic wires of different alloys engaged into conventional brackets using several ligation types. Stainless steel, conventional superelastic nickel-titanium and thermally activated nickel-titanium archwires tied into conventional brackets by a ring-shaped elastomeric ligature (RSEL), a 8-shaped elastomeric ligature (8SEL) and a metal ligature (ML) were tested. A clinical simulation device was created especially for this study and forces were measured with an Instron Universal Testing Machine. For the testing procedure, the block representing the maxillary right central incisor was moved 0.5 and 1 mm bucco-lingually at a constant speed of 2 mm/min, and the forces released by the wires were recorded, in accordance with the ISO 15841 guidelines. In general, the RSEL showed lighter forces, while 8SEL and ML showed higher values. At the 0.5 mm deflection, the 8SEL presented the greatest force, but at the 1.0 mm deflection the ML had a statistically similar force. Based on our evaluations, to obtain lighter forces, the thermally activated nickel-titanium wire with the RSEL are recommended, while the steel wire with the 8SEL or the ML are recommended when larger forces are desired. The ML exhibited the highest force increase with increased deflections, compared with the elastomeric ligatures.

Assessment of Southern Ocean water mass circulation and characteristics in CMIP5 models: Historical bias and forcing response

NASA Astrophysics Data System (ADS)

Sallée, J.-B.; Shuckburgh, E.; Bruneau, N.; Meijers, A. J. S.; Bracegirdle, T. J.; Wang, Z.; Roy, T.

2013-04-01

The ability of the models contributing to the fifth Coupled Models Intercomparison Project (CMIP5) to represent the Southern Ocean hydrological properties and its overturning is investigated in a water mass framework. Models have a consistent warm and light bias spread over the entire water column. The greatest bias occurs in the ventilated layers, which are volumetrically dominated by mode and intermediate layers. The ventilated layers have been observed to have a strong fingerprint of climate change and to impact climate by sequestrating a significant amount of heat and carbon dioxide. The mode water layer is poorly represented in the models and both mode and intermediate water have a significant fresh bias. Under increased radiative forcing, models simulate a warming and lightening of the entire water column, which is again greatest in the ventilated layers, highlighting the importance of these layers for propagating the climate signal into the deep ocean. While the intensity of the water mass overturning is relatively consistent between models, when compared to observation-based reconstructions, they exhibit a slightly larger rate of overturning at shallow to intermediate depths, and a slower rate of overturning deeper in the water column. Under increased radiative forcing, atmospheric fluxes increase the rate of simulated upper cell overturning, but this increase is counterbalanced by diapycnal fluxes, including mixed-layer horizontal mixing, and mostly vanishes.

The Detection and Attribution Model Intercomparison Project (DAMIP v1.0)contribution to CMIP6

DOE PAGES

Gillett, Nathan P.; Shiogama, Hideo; Funke, Bernd; ...

2016-10-18

Detection and attribution (D&A) simulations were important components of CMIP5 and underpinned the climate change detection and attribution assessments of the Fifth Assessment Report of the Intergovernmental Panel on Climate Change. The primary goals of the Detection and Attribution Model Intercomparison Project (DAMIP) are to facilitate improved estimation of the contributions of anthropogenic and natural forcing changes to observed global warming as well as to observed global and regional changes in other climate variables; to contribute to the estimation of how historical emissions have altered and are altering contemporary climate risk; and to facilitate improved observationally constrained projections of futuremore » climate change. D&A studies typically require unforced control simulations and historical simulations including all major anthropogenic and natural forcings. Such simulations will be carried out as part of the DECK and the CMIP6 historical simulation. In addition D&A studies require simulations covering the historical period driven by individual forcings or subsets of forcings only: such simulations are proposed here. Key novel features of the experimental design presented here include firstly new historical simulations with aerosols-only, stratospheric-ozone-only, CO2-only, solar-only, and volcanic-only forcing, facilitating an improved estimation of the climate response to individual forcing, secondly future single forcing experiments, allowing observationally constrained projections of future climate change, and thirdly an experimental design which allows models with and without coupled atmospheric chemistry to be compared on an equal footing.« less

The Detection and Attribution Model Intercomparison Project (DAMIP v1.0) contribution to CMIP6

NASA Astrophysics Data System (ADS)

Gillett, Nathan P.; Shiogama, Hideo; Funke, Bernd; Hegerl, Gabriele; Knutti, Reto; Matthes, Katja; Santer, Benjamin D.; Stone, Daithi; Tebaldi, Claudia

2016-10-01

Detection and attribution (D&A) simulations were important components of CMIP5 and underpinned the climate change detection and attribution assessments of the Fifth Assessment Report of the Intergovernmental Panel on Climate Change. The primary goals of the Detection and Attribution Model Intercomparison Project (DAMIP) are to facilitate improved estimation of the contributions of anthropogenic and natural forcing changes to observed global warming as well as to observed global and regional changes in other climate variables; to contribute to the estimation of how historical emissions have altered and are altering contemporary climate risk; and to facilitate improved observationally constrained projections of future climate change. D&A studies typically require unforced control simulations and historical simulations including all major anthropogenic and natural forcings. Such simulations will be carried out as part of the DECK and the CMIP6 historical simulation. In addition D&A studies require simulations covering the historical period driven by individual forcings or subsets of forcings only: such simulations are proposed here. Key novel features of the experimental design presented here include firstly new historical simulations with aerosols-only, stratospheric-ozone-only, CO2-only, solar-only, and volcanic-only forcing, facilitating an improved estimation of the climate response to individual forcing, secondly future single forcing experiments, allowing observationally constrained projections of future climate change, and thirdly an experimental design which allows models with and without coupled atmospheric chemistry to be compared on an equal footing.

Dynamics of acoustically levitated disk samples.

PubMed

Xie, W J; Wei, B

2004-10-01

The acoustic levitation force on disk samples and the dynamics of large water drops in a planar standing wave are studied by solving the acoustic scattering problem through incorporating the boundary element method. The dependence of levitation force amplitude on the equivalent radius R of disks deviates seriously from the R3 law predicted by King's theory, and a larger force can be obtained for thin disks. When the disk aspect ratio gamma is larger than a critical value gamma(*) ( approximately 1.9 ) and the disk radius a is smaller than the critical value a(*) (gamma) , the levitation force per unit volume of the sample will increase with the enlargement of the disk. The acoustic levitation force on thin-disk samples ( gamma

Dynamics of acoustically levitated disk samples

NASA Astrophysics Data System (ADS)

Xie, W. J.; Wei, B.

2004-10-01

The acoustic levitation force on disk samples and the dynamics of large water drops in a planar standing wave are studied by solving the acoustic scattering problem through incorporating the boundary element method. The dependence of levitation force amplitude on the equivalent radius R of disks deviates seriously from the R3 law predicted by King’s theory, and a larger force can be obtained for thin disks. When the disk aspect ratio γ is larger than a critical value γ*(≈1.9) and the disk radius a is smaller than the critical value a*(γ) , the levitation force per unit volume of the sample will increase with the enlargement of the disk. The acoustic levitation force on thin-disk samples (γ⩽γ*) can be formulated by the shape factor f(γ,a) when a⩽a*(γ) . It is found experimentally that a necessary condition of the acoustic field for stable levitation of a large water drop is to adjust the reflector-emitter interval H slightly above the resonant interval Hn . The simulation shows that the drop is flattened and the central parts of its top and bottom surface become concave with the increase of sound pressure level, which agrees with the experimental observation. The main frequencies of the shape oscillation under different sound pressures are slightly larger than the Rayleigh frequency because of the large shape deformation. The simulated translational frequencies of the vertical vibration under normal gravity condition agree with the theoretical analysis.

A parameters optimization method for planar joint clearance model and its application for dynamics simulation of reciprocating compressor

NASA Astrophysics Data System (ADS)

Hai-yang, Zhao; Min-qiang, Xu; Jin-dong, Wang; Yong-bo, Li

2015-05-01

In order to improve the accuracy of dynamics response simulation for mechanism with joint clearance, a parameter optimization method for planar joint clearance contact force model was presented in this paper, and the optimized parameters were applied to the dynamics response simulation for mechanism with oversized joint clearance fault. By studying the effect of increased clearance on the parameters of joint clearance contact force model, the relation of model parameters between different clearances was concluded. Then the dynamic equation of a two-stage reciprocating compressor with four joint clearances was developed using Lagrange method, and a multi-body dynamic model built in ADAMS software was used to solve this equation. To obtain a simulated dynamic response much closer to that of experimental tests, the parameters of joint clearance model, instead of using the designed values, were optimized by genetic algorithms approach. Finally, the optimized parameters were applied to simulate the dynamics response of model with oversized joint clearance fault according to the concluded parameter relation. The dynamics response of experimental test verified the effectiveness of this application.

A novel model for simulating the racing effect in capillary-driven underfill process in flip chip

NASA Astrophysics Data System (ADS)

Zhu, Wenhui; Wang, Kanglun; Wang, Yan

2018-04-01

Underfill is typically applied in flip chips to increase the reliability of the electronic packagings. In this paper, the evolution of the melt-front shape of the capillary-driven underfill flow is studied through 3D numerical analysis. Two different models, the prevailing surface force model and the capillary model based on the wetted wall boundary condition, are introduced to test their applicability, where level set method is used to track the interface of the two phase flow. The comparison between the simulation results and experimental data indicates that, the surface force model produces better prediction on the melt-front shape, especially in the central area of the flip chip. Nevertheless, the two above models cannot simulate properly the racing effect phenomenon that appears during underfill encapsulation. A novel ‘dynamic pressure boundary condition’ method is proposed based on the validated surface force model. Utilizing this approach, the racing effect phenomenon is simulated with high precision. In addition, a linear relationship is derived from this model between the flow front location at the edge of the flip chip and the filling time. Using the proposed approach, the impact of the underfill-dispensing length on the melt-front shape is also studied.

Effect of Varying the 1-4 Intramolecular Scaling Factor in Atomistic Simulations of Long-Chain N-alkanes with the OPLS-AA Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Almeida, Valmor F; Ye, Xianggui; Cui, Shengting

2013-01-01

A comprehensive molecular dynamics simulation study of n-alkanes using the Optimized Potential for Liquid Simulation-All Atoms (OPLS-AA) force field at ambient condition has been performed. Our results indicate that while simulations with the OPLS-AA force field accurately predict the liquid state mass density for n-alkanes with carbon number equal or less than 10, for n-alkanes with carbon number equal or exceeding 12, the OPLS-AA force field with the standard scaling factor for the 1-4 intramolecular Van der Waals and electrostatic interaction gives rise to a quasi-crystalline structure. We found that accurate predictions of the liquid state properties are obtained bymore » successively reducing the aforementioned scaling factor for each increase of the carbon number beyond n-dodecane. To better un-derstand the effects of reducing the scaling factor, we analyzed the variation of the torsion potential pro-file with the scaling factor, and the corresponding impact on the gauche-trans conformer distribution, heat of vaporization, melting point, and self-diffusion coefficient for n-dodecane. This relatively simple procedure thus allows for more accurate predictions of the thermo-physical properties of longer n-alkanes.« less

Forcing variables in simulation of transpiration of water stressed plants determined by principal component analysis

NASA Astrophysics Data System (ADS)

Durigon, Angelica; Lier, Quirijn de Jong van; Metselaar, Klaas

2016-10-01

To date, measuring plant transpiration at canopy scale is laborious and its estimation by numerical modelling can be used to assess high time frequency data. When using the model by Jacobs (1994) to simulate transpiration of water stressed plants it needs to be reparametrized. We compare the importance of model variables affecting simulated transpiration of water stressed plants. A systematic literature review was performed to recover existing parameterizations to be tested in the model. Data from a field experiment with common bean under full and deficit irrigation were used to correlate estimations to forcing variables applying principal component analysis. New parameterizations resulted in a moderate reduction of prediction errors and in an increase in model performance. Ags model was sensitive to changes in the mesophyll conductance and leaf angle distribution parameterizations, allowing model improvement. Simulated transpiration could be separated in temporal components. Daily, afternoon depression and long-term components for the fully irrigated treatment were more related to atmospheric forcing variables (specific humidity deficit between stomata and air, relative air humidity and canopy temperature). Daily and afternoon depression components for the deficit-irrigated treatment were related to both atmospheric and soil dryness, and long-term component was related to soil dryness.

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

PubMed Central

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-01-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into “alpha helix” and “beta sheet” structures. The 5-residue polyalanine displays a substantial increase in the “beta strand” fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling. PMID:22029338

Multiscale Macromolecular Simulation: Role of Evolving Ensembles

PubMed Central

Singharoy, A.; Joshi, H.; Ortoleva, P.J.

2013-01-01

Multiscale analysis provides an algorithm for the efficient simulation of macromolecular assemblies. This algorithm involves the coevolution of a quasiequilibrium probability density of atomic configurations and the Langevin dynamics of spatial coarse-grained variables denoted order parameters (OPs) characterizing nanoscale system features. In practice, implementation of the probability density involves the generation of constant OP ensembles of atomic configurations. Such ensembles are used to construct thermal forces and diffusion factors that mediate the stochastic OP dynamics. Generation of all-atom ensembles at every Langevin timestep is computationally expensive. Here, multiscale computation for macromolecular systems is made more efficient by a method that self-consistently folds in ensembles of all-atom configurations constructed in an earlier step, history, of the Langevin evolution. This procedure accounts for the temporal evolution of these ensembles, accurately providing thermal forces and diffusions. It is shown that efficiency and accuracy of the OP-based simulations is increased via the integration of this historical information. Accuracy improves with the square root of the number of historical timesteps included in the calculation. As a result, CPU usage can be decreased by a factor of 3-8 without loss of accuracy. The algorithm is implemented into our existing force-field based multiscale simulation platform and demonstrated via the structural dynamics of viral capsomers. PMID:22978601

Effect of the centrifugal force on domain chaos in Rayleigh-Bénard convection.

PubMed

Becker, Nathan; Scheel, J D; Cross, M C; Ahlers, Guenter

2006-06-01

Experiments and simulations from a variety of sample sizes indicated that the centrifugal force significantly affects the domain-chaos state observed in rotating Rayleigh-Bénard convection-patterns. In a large-aspect-ratio sample, we observed a hybrid state consisting of domain chaos close to the sample center, surrounded by an annulus of nearly stationary nearly radial rolls populated by occasional defects reminiscent of undulation chaos. Although the Coriolis force is responsible for domain chaos, by comparing experiment and simulation we show that the centrifugal force is responsible for the radial rolls. Furthermore, simulations of the Boussinesq equations for smaller aspect ratios neglecting the centrifugal force yielded a domain precession-frequency f approximately epsilon(mu) with mu approximately equal to 1 as predicted by the amplitude-equation model for domain chaos, but contradicted by previous experiment. Additionally the simulations gave a domain size that was larger than in the experiment. When the centrifugal force was included in the simulation, mu and the domain size were consistent with experiment.

Contact stiffness and damping identification for hardware-in-the-loop contact simulator with measurement delay compensation

NASA Astrophysics Data System (ADS)

Qi, Chenkun; Zhao, Xianchao; Gao, Feng; Ren, Anye; Sun, Qiao

2016-06-01

The hardware-in-the-loop (HIL) contact simulator is to simulate the contact process of two flying objects in space. The contact stiffness and damping are important parameters used for the process monitoring, compliant contact control and force compensation control. In this study, a contact stiffness and damping identification approach is proposed for the HIL contact simulation with the force measurement delay. The actual relative position of two flying objects can be accurately measured. However, the force measurement delay needs to be compensated because it will lead to incorrect stiffness and damping identification. Here, the phase lead compensation is used to reconstruct the actual contact force from the delayed force measurement. From the force and position data, the contact stiffness and damping are identified in real time using the recursive least squares (RLS) method. The simulations and experiments are used to verify that the proposed stiffness and damping identification approach is effective.

Unsteady computational fluid dynamics in front crawl swimming.

PubMed

Samson, Mathias; Bernard, Anthony; Monnet, Tony; Lacouture, Patrick; David, Laurent

2017-05-01

The development of codes and power calculations currently allows the simulation of increasingly complex flows, especially in the turbulent regime. Swimming research should benefit from these technological advances to try to better understand the dynamic mechanisms involved in swimming. An unsteady Computational Fluid Dynamics (CFD) study is conducted in crawl, in order to analyse the propulsive forces generated by the hand and forearm. The k-ω SST turbulence model and an overset grid method have been used. The main objectives are to analyse the evolution of the hand-forearm propulsive forces and to explain this relative to the arm kinematics parameters. In order to validate our simulation model, the calculated forces and pressures were compared with several other experimental and numerical studies. A good agreement is found between our results and those of other studies. The hand is the segment that generates the most propulsive forces during the aquatic stroke. As the pressure component is the main source of force, the orientation of the hand-forearm in the absolute coordinate system is an important kinematic parameter in the swimming performance. The propulsive forces are biggest when the angles of attack are high. CFD appears as a very valuable tool to better analyze the mechanisms of swimming performance and offers some promising developments, especially for optimizing the performance from a parametric study.

The effect of workstation and task variables on forces applied during simulated meat cutting.

PubMed

McGorry, Raymond W; Dempsey, Patrick G; O'Brien, Niall V

2004-12-01

The purpose of the study was to investigate factors related to force and postural exposure during a simulated meat cutting task. The hypothesis was that workstation, tool and task variables would affect the dependent kinetic variables of gripping force, cutting moment and the dependent kinematic variables of elbow elevation and wrist angular displacement in the flexion/extension and radial/ulnar deviation planes. To evaluate this hypothesis a 3 x 3 x 2 x 2 x 2 (surface orientation by surface height by blade angle by cut complexity by work pace) within-subject factorial design was conducted with 12 participants. The results indicated that the variables can act and interact to modify the kinematics and kinetics of a cutting task. Participants used greater grip force and cutting moment when working at a pace based on productivity. The interactions of the work surface height and orientation indicated that the use of an adjustable workstation could minimize wrist deviation from neutral and improve shoulder posture during cutting operations. Angling the knife blade also interacted with workstation variables to improve wrist and upper extremity posture, but this benefit must be weighed against the potential for small increases in force exposure.

First-principles study of pollutant molecules absorbed on polymeric adsorbents using the vdW-DF2 functional

NASA Astrophysics Data System (ADS)

Zhu, Jinguo; Wang, Yapeng; Tian, Ting; Zhang, Qianfan

2018-03-01

Polymeric adsorbents have been attracting increasing attention because of their favorable structrual properties and effectiveness of solving small molecules contaminants. However, due to the absence of deep insight into the adsorption mechanism of polymeric adsorbents, researches on new polymeric adsorbents can only be carried out by repeated experiments and tests, which is extremely inefficient. Therefore, investigating the adsorption process of polymeric adsorbents, especially the mechanism of adsorbing various air pollutant molecules by materials modelling and simulation, is of great significance. Here in this work, we systematically studied the adsorption mechanism by first-principles computation with van der Waals interaction. It demonstrates that the adsorption between them was pure physisorption originating from the hydrogen bond and intermolecular forces consisting of Keesom force, Debye force and London dispersion force. The proportions of these forces varied according to different adsorption systems. The adsorption effects were determined by the polymers’ dipole moment and polarizability. The adsorption performance of some polymers with special structures was also investigated to explore their possibility as potential adsorbents. The results of our simulation can provide some guidance for developing new polymeric adsorbents with better performance.

Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene

PubMed Central

Abramyan, Tigran M.; Snyder, James A.; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

2015-01-01

Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG–X–GTGT host–guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard–Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid–liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

Aerosol indirect effect on tropospheric ozone via lightning

NASA Astrophysics Data System (ADS)

Yuan, T.; Remer, L. A.; Bian, H.; Ziemke, J. R.; Albrecht, R. I.; Pickering, K. E.; Oreopoulos, L.; Goodman, S. J.; Yu, H.; Allen, D. J.

2012-12-01

Tropospheric ozone (O3) is a pollutant and major greenhouse gas and its radiative forcing is still uncertain. The unresolved difference between modeled and observed natural background O3 concentrations is a key source of the uncertainty. Here we demonstrate remarkable sensitivity of lightning activity to aerosol loading with lightning activity increasing more than 30 times per unit of aerosol optical depth over our study area. We provide observational evidence that indicates the observed increase in lightning activity is caused by the influx of aerosols from a volcano. Satellite data analyses suggest O3 is increased as a result of aerosol-induced increase in lightning and lightning produced NOx. Model simulations with prescribed lightning change corroborate the satellite data analysis. This aerosol-O3 connection is achieved via aerosol increasing lightning and thus lightning produced nitrogen oxides. This aerosol-lightning-ozone link provides a potential physical mechanism that may account for a part of the model-observation difference in background O3 concentration. More importantly, O3 production increase from this link is concentrated in the upper troposphere, where O3 is most efficient as a greenhouse gas. Both of these implications suggest a stronger O3 historical radiative forcing. This introduces a new pathway, through which increasing in aerosols from pre-industrial time to present day enhances tropospheric O3 production. Aerosol forcing thus has a warming component via its effect on O3 production. Sensitivity simulations suggest that 4-8% increase of tropospheric ozone, mainly in the tropics, is expected if aerosol-lighting-ozone link is parameterized, depending on the background emission scenario. We note, however, substantial uncertainties remain on the exact magnitude of aerosol effect on tropospheric O3 via lightning. The challenges for obtaining a quantitative global estimate of this effect are also discussed. Our results have significant implications for understanding past and projecting future tropospheric O3 forcing as well as wildfire changes and call for integrated investigations of the coupled aerosol-cloud-chemistry system.

Increased Brownian Force Noise from Molecular Impacts in a Constrained Volume

NASA Astrophysics Data System (ADS)

Cavalleri, A.; Ciani, G.; Dolesi, R.; Heptonstall, A.; Hueller, M.; Nicolodi, D.; Rowan, S.; Tombolato, D.; Vitale, S.; Wass, P. J.; Weber, W. J.

2009-10-01

We report on residual-gas damping of the motion of a macroscopic test mass enclosed in a nearby housing in the molecular flow regime. The damping coefficient, and thus the associated thermal force noise, is found to increase significantly when the distance between the test mass and surrounding walls is smaller than the test mass itself. The effect has been investigated with two torsion pendulums of different geometry and has been modeled in a numerical simulation whose predictions are in good agreement with the measurements. Relevant to a wide variety of small-force experiments, the residual-gas force noise power for the test masses in the LISA gravitational wave observatory is roughly a factor 15 larger than in an infinite gas volume, though still compatible with the target acceleration noise of 3fms-2Hz-1/2 at the foreseen pressure below 10-6Pa.

Detection of forced oscillations in power systems with multichannel methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Follum, James D.

2015-09-30

The increasing availability of high fidelity, geographically dispersed measurements in power systems improves the ability of researchers and engineers to study dynamic behaviors in the grid. One such behavior that is garnering increased attention is the presence of forced oscillations. Power system engineers are interested in forced oscillations because they are often symptomatic of the malfunction or misoperation of equipment. Though the resulting oscillation is not always large in amplitude, the root cause may be serious. In this report, multi-channel forced oscillation detection methods are developed. These methods leverage previously developed detection approaches based on the periodogram and spectral-coherence. Makingmore » use of geographically distributed channels of data is shown to improved detection performance and shorten the delay before an oscillation can be detected in the online environment. Results from simulated and measured power system data are presented.« less

Rotational Failure of Rubble-pile Bodies: Influences of Shear and Cohesive Strengths

NASA Astrophysics Data System (ADS)

Zhang, Yun; Richardson, Derek C.; Barnouin, Olivier S.; Michel, Patrick; Schwartz, Stephen R.; Ballouz, Ronald-Louis

2018-04-01

The shear and cohesive strengths of a rubble-pile asteroid could influence the critical spin at which the body fails and its subsequent evolution. We present results using a soft-sphere discrete element method to explore the mechanical properties and dynamical behaviors of self-gravitating rubble piles experiencing increasing rotational centrifugal forces. A comprehensive contact model incorporating translational and rotational friction and van der Waals cohesive interactions is developed to simulate rubble-pile asteroids. It is observed that the critical spin depends strongly on both the frictional and cohesive forces between particles in contact; however, the failure behaviors only show dependence on the cohesive force. As cohesion increases, the deformation of the simulated body prior to disruption is diminished, the disruption process is more abrupt, and the component size of the fissioned material is increased. When the cohesive strength is high enough, the body can disaggregate into similar-size fragments, which could be a plausible mechanism to form asteroid pairs or active asteroids. The size distribution and velocity dispersion of the fragments in high-cohesion simulations show similarities to the disintegrating asteroid P/2013 R3, indicating that this asteroid may possess comparable cohesion in its structure and experience rotational fission in a similar manner. Additionally, we propose a method for estimating a rubble pile’s friction angle and bulk cohesion from spin-up numerical experiments, which provides the opportunity for making quantitative comparisons with continuum theory. The results show that the present technique has great potential for predicting the behaviors and estimating the material strengths of cohesive rubble-pile asteroids.

Validation of Multibody Program to Optimize Simulated Trajectories II Parachute Simulation with Interacting Forces

NASA Technical Reports Server (NTRS)

Raiszadeh, Behzad; Queen, Eric M.; Hotchko, Nathaniel J.

2009-01-01

A capability to simulate trajectories of multiple interacting rigid bodies has been developed, tested and validated. This capability uses the Program to Optimize Simulated Trajectories II (POST 2). The standard version of POST 2 allows trajectory simulation of multiple bodies without force interaction. In the current implementation, the force interaction between the parachute and the suspended bodies has been modeled using flexible lines, allowing accurate trajectory simulation of the individual bodies in flight. The POST 2 multibody capability is intended to be general purpose and applicable to any parachute entry trajectory simulation. This research paper explains the motivation for multibody parachute simulation, discusses implementation methods, and presents validation of this capability.

How does huperzine A enter and leave the binding gorge of acetylcholinesterase? Steered molecular dynamics simulations.

PubMed

Xu, Yechun; Shen, Jianhua; Luo, Xiaomin; Silman, Israel; Sussman, Joel L; Chen, Kaixian; Jiang, Hualiang

2003-09-17

The entering and leaving processes of Huperzine A (HupA) binding with the long active-site gorge of Torpedo californica acetylcholinesterase (TcAChE) have been investigated by using steered molecular dynamics simulations. The analysis of the force required along the pathway shows that it is easier for HupA to bind to the active site of AChE than to disassociate from it, which for the first time interprets at the atomic level the previous experimental result that unbinding process of HupA is much slower than its binding process to AChE. The direct hydrogen bonds, water bridges, and hydrophobic interactions were analyzed during two steered molecular dynamics (SMD) simulations. Break of the direct hydrogen bond needs a great pulling force. The steric hindrance of bottleneck might be the most important factor to produce the maximal rupture force for HupA to leave the binding site but it has a little effect on the binding process of HupA with AChE. Residue Asp72 forms a lot of water bridges with HupA leaving and entering the AChE binding gorge, acting as a clamp to take out HupA from or put HupA into the active site. The flip of the peptide bond between Gly117 and Gly118 has been detected during both the conventional MD and SMD simulations. The simulation results indicate that this flip phenomenon could be an intrinsic property of AChE and the Gly117-Gly118 peptide bond in both HupA bound and unbound AChE structures tends to adopt the native enzyme structure. At last, in a vacuum the rupture force is increased up to 1500 pN while in water solution the greatest rupture force is about 800 pN, which means water molecules in the binding gorge act as lubricant to facilitate HupA entering or leaving the binding gorge.

Accuracy requirements. [for monitoring of climate changes

NASA Technical Reports Server (NTRS)

Delgenio, Anthony

1993-01-01

Satellite and surface measurements, if they are to serve as a climate monitoring system, must be accurate enough to permit detection of changes of climate parameters on decadal time scales. The accuracy requirements are difficult to define a priori since they depend on unknown future changes of climate forcings and feedbacks. As a framework for evaluation of candidate Climsat instruments and orbits, we estimate the accuracies that would be needed to measure changes expected over two decades based on theoretical considerations including GCM simulations and on observational evidence in cases where data are available for rates of change. One major climate forcing known with reasonable accuracy is that caused by the anthropogenic homogeneously mixed greenhouse gases (CO2, CFC's, CH4 and N2O). Their net forcing since the industrial revolution began is about 2 W/sq m and it is presently increasing at a rate of about 1 W/sq m per 20 years. Thus for a competing forcing or feedback to be important, it needs to be of the order of 0.25 W/sq m or larger on this time scale. The significance of most climate feedbacks depends on their sensitivity to temperature change. Therefore we begin with an estimate of decadal temperature change. Presented are the transient temperature trends simulated by the GISS GCM when subjected to various scenarios of trace gas concentration increases. Scenario B, which represents the most plausible near-term emission rates and includes intermittent forcing by volcanic aerosols, yields a global mean surface air temperature increase Delta Ts = 0.7 degrees C over the time period 1995-2015. This is consistent with the IPCC projection of about 0.3 degrees C/decade global warming (IPCC, 1990). Several of our estimates below are based on this assumed rate of warming.

Subject-Specific Finite Element Analysis of the Carpal Tunnel Cross-Sectional to Examine Tunnel Area Changes in Response to Carpal Arch Loading

PubMed Central

Walia, Piyush; Erdemir, Ahmet; Li, Zong-Ming

2017-01-01

Background Manipulating the carpal arch width (i.e. distance between hamate and trapezium bones) has been suggested as a means to increase carpal tunnel cross-sectional area and alleviate median nerve compression. The purpose of this study was to develop a finite element model of the carpal tunnel and to determine an optimal force direction to maximize area. Methods A planar geometric model of carpal bones at hamate level was reconstructed from MRI with inter-carpal joint spaces filled with a linear elastic surrogate tissue. Experimental data with discrete carpal tunnel pressures (50, 100, 150, and 200 mmHg) and corresponding carpal bone movements were used to obtain material property of surrogate tissue by inverse finite element analysis. The resulting model was used to simulate changes of carpal arch widths and areas with directional variations of a unit force applied at the hook of hamate. Findings Inverse finite element model predicted the experimental area data within 1.5% error. Simulation of force applications showed that carpal arch width and area were dependent on the direction of force application, and minimal arch width and maximal area occurred at 138° (i.e. volar-radial direction) with respect to the hamate-to-trapezium axis. At this force direction, the width changed to 24.4 mm from its initial 25.1 mm (3% decrease), and the area changed to 301.6 mm2 from 290.3 mm2 (4% increase). Interpretation The findings of the current study guide biomechanical manipulation to gain tunnel area increase, potentially helping reduce carpal tunnel pressure and relieve symptoms of compression median neuropathy. PMID:28073093

Forcings and feedbacks by land ecosystem changes on climate change

NASA Astrophysics Data System (ADS)

Betts, R. A.

2006-12-01

Vegetation change is involved in climate change through both forcing and feedback processes. Emissions of CO{2} from past net deforestation are estimated to have contributed approximately 0.22 0.51 Wm - 2 to the overall 1.46 Wm - 2 radiative forcing by anthropogenic increases in CO{2} up to the year 2000. Deforestation-induced increases in global mean surface albedo are estimated to exert a radiative forcing of 0 to -0.2 Wm - 2, and dust emissions from land use may exert a radiative forcing of between approximately +0.1 and -0.2 Wm - 2. Changes in the fluxes of latent and sensible heat due to tropical deforestation are simulated to have exerted other local warming effects which cannot be quantified in terms of a Wm - 2 radiative forcing, with the potential for remote effects through changes in atmospheric circulation. With tropical deforestation continuing rapidly, radiative forcing by surface albedo change may become less useful as a measure of the forcing of climate change by changes in the physical properties of the land surface. Although net global deforestation is continuing, future scenarios used for climate change prediction suggest that fossil fuel emissions of CO{2} may continue to increase at a greater rate than land use emissions and therefore continue to increase in dominance as the main radiative forcing. The CO{2} rise may be accelerated by up to 66% by feedbacks arising from global soil carbon loss and forest dieback in Amazonia as a consequence of climate change, and Amazon forest dieback may also exert feedbacks through changes in the local water cycle and increases in dust emissions.

A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein.

PubMed

Xu, Mingyuan; Zhu, Tong; Zhang, John Z H

2018-01-01

A force balanced generalized molecular fractionation with conjugate caps (FB-GMFCC) method is proposed for ab initio molecular dynamic simulation of proteins. In this approach, the energy of the protein is computed by a linear combination of the QM energies of individual residues and molecular fragments that account for the two-body interaction of hydrogen bond between backbone peptides. The atomic forces on the caped H atoms were corrected to conserve the total force of the protein. Using this approach, ab initio molecular dynamic simulation of an Ace-(ALA) 9 -NME linear peptide showed the conservation of the total energy of the system throughout the simulation. Further a more robust 110 ps ab initio molecular dynamic simulation was performed for a protein with 56 residues and 862 atoms in explicit water. Compared with the classical force field, the ab initio molecular dynamic simulations gave better description of the geometry of peptide bonds. Although further development is still needed, the current approach is highly efficient, trivially parallel, and can be applied to ab initio molecular dynamic simulation study of large proteins.

Virtual Reality Tumor Resection: The Force Pyramid Approach.

PubMed

Sawaya, Robin; Bugdadi, Abdulgadir; Azarnoush, Hamed; Winkler-Schwartz, Alexander; Alotaibi, Fahad E; Bajunaid, Khalid; AlZhrani, Gmaan A; Alsideiri, Ghusn; Sabbagh, Abdulrahman J; Del Maestro, Rolando F

2018-06-01

The force pyramid is a novel visual representation allowing spatial delineation of instrument force application during surgical procedures. In this study, the force pyramid concept is employed to create and quantify dominant hand, nondominant hand, and bimanual force pyramids during resection of virtual reality brain tumors. To address 4 questions: Do ergonomics and handedness influence force pyramid structure? What are the differences between dominant and nondominant force pyramids? What is the spatial distribution of forces applied in specific tumor quadrants? What differentiates "expert" and "novice" groups regarding their force pyramids? Using a simulated aspirator in the dominant hand and a simulated sucker in the nondominant hand, 6 neurosurgeons and 14 residents resected 8 different tumors using the CAE NeuroVR virtual reality neurosurgical simulation platform (CAE Healthcare, Montréal, Québec and the National Research Council Canada, Boucherville, Québec). Position and force data were used to create force pyramids and quantify tumor quadrant force distribution. Force distribution quantification demonstrates the critical role that handedness and ergonomics play on psychomotor performance during simulated brain tumor resections. Neurosurgeons concentrate their dominant hand forces in a defined crescent in the lower right tumor quadrant. Nondominant force pyramids showed a central peak force application in all groups. Bimanual force pyramids outlined the combined impact of each hand. Distinct force pyramid patterns were seen when tumor stiffness, border complexity, and color were altered. Force pyramids allow delineation of specific tumor regions requiring greater psychomotor ability to resect. This information can focus and improve resident technical skills training.

Mechanical properties of multilayered films using different nanoindenters.

PubMed

Fang, Te-Hua; Wang, Tong Hong; Wu, Jia-Hung

2010-07-01

The effects of interface, contact hardness, deformation, and adhesion of Al/Ni multilayered films under nanoindentation were investigated using molecular dynamics (MD) simulations. The results show that the indentation force of the sphere indenter is the largest among nanoindentations using sphere, cone, Vickers, or Berkovich type indenters at the same penetration depth. Force increasing, relaxation and adhesion took place during loading, holding depth and unloading, respectively. The interface occurred along the {111} (110) slip systems and the maximum width of the glide bands was about 1 nm. The reaction force and plastic energy of the indented films are also discussed.

Molecular dynamics simulations of the surface tension and structure of salt solutions and clusters.

PubMed

Sun, Lu; Li, Xin; Hede, Thomas; Tu, Yaoquan; Leck, Caroline; Ågren, Hans

2012-03-15

Sodium halides, which are abundant in sea salt aerosols, affect the optical properties of aerosols and are active in heterogeneous reactions that cause ozone depletion and acid rain problems. Interfacial properties, including surface tension and halide anion distributions, are crucial issues in the study of the aerosols. We present results from molecular dynamics simulations of water solutions and clusters containing sodium halides with the interatomic interactions described by a conventional force field. The simulations reproduce experimental observations that sodium halides increase the surface tension with respect to pure water and that iodide anions reach the outermost layer of water clusters or solutions. It is found that the van der Waals interactions have an impact on the distribution of the halide anions and that a conventional force field with optimized parameters can model the surface tension of the salt solutions with reasonable accuracy. © 2012 American Chemical Society

Inter-annual variability of the Mediterranean thermohaline circulation in Med-CORDEX simulations

NASA Astrophysics Data System (ADS)

Vittoria Struglia, Maria; Adani, Mario; Carillo, Adriana; Pisacane, Giovanna; Sannino, Gianmaria; Beuvier, Jonathan; Lovato, Tomas; Sevault, Florence; Vervatis, Vassilios

2016-04-01

Recent atmospheric reanalysis products, such as ERA40 and ERA-interim, and their regional dynamical downscaling prompted the HyMeX/Med-CORDEX community to perform hind-cast simulations of the Mediterranean Sea, giving the opportunity to evaluate the response of different ocean models to a realistic inter-annual atmospheric forcing. Ocean numerical modeling studies have been steadily improving over the last decade through hind-cast processing, and are complementary to observations in studying the relative importance of the mechanisms playing a role in ocean variability, either external forcing or internal ocean variability. This work presents a review and an inter-comparison of the most recent hind-cast simulations of the Mediterranean Sea Circulation, produced in the framework of the Med-CORDEX initiative, at resolutions spanning from 1/8° to 1/16°. The richness of the simulations available for this study is exploited to address the effects of increasing resolution, both of models and forcing, the initialization procedure, and the prescription of the atmospheric boundary conditions, which are particularly relevant in order to model a realistic THC, in the perspective of fully coupled regional ocean-atmosphere models. The mean circulation is well reproduced by all the simulations. However, it can be observed that the horizontal resolution of both atmospheric forcing and ocean model plays a fundamental role in the reproduction of some specific features of both sub-basins and important differences can be observed among low and high resolution atmosphere forcing. We analyze the mean circulation on both the long-term and decadal time scale, and the represented inter-annual variability of intermediate and deep water mass formation processes in both the Eastern and Western sub-basins, finding that models agree with observations in correspondence of specific events, such as the 1992-1993 Eastern Mediterranean Transient, and the 2005-2006 event in the Gulf of Lion. Long-term trends of the hydrological properties have been investigated at sub-basin scale and have been interpreted in terms of response to forcing and boundary conditions, detectable differences resulting mainly due either to the different initialization and spin up procedure or to the different prescription of Atlantic boundary conditions.

Forced-Unfolding and Force-Quench Refolding of RNA Hairpins

PubMed Central

Hyeon, Changbong; Thirumalai, D.

2006-01-01

Nanomanipulation of individual RNA molecules, using laser optical tweezers, has made it possible to infer the major features of their energy landscape. Time-dependent mechanical unfolding trajectories, measured at a constant stretching force (fS) of simple RNA structures (hairpins and three-helix junctions) sandwiched between RNA/DNA hybrid handles show that they unfold in a reversible all-or-none manner. To provide a molecular interpretation of the experiments we use a general coarse-grained off-lattice Gō-like model, in which each nucleotide is represented using three interaction sites. Using the coarse-grained model we have explored forced-unfolding of RNA hairpin as a function of fS and the loading rate (rf). The simulations and theoretical analysis have been done both with and without the handles that are explicitly modeled by semiflexible polymer chains. The mechanisms and timescales for denaturation by temperature jump and mechanical unfolding are vastly different. The directed perturbation of the native state by fS results in a sequential unfolding of the hairpin starting from their ends, whereas thermal denaturation occurs stochastically. From the dependence of the unfolding rates on rf and fS we show that the position of the unfolding transition state is not a constant but moves dramatically as either rf or fS is changed. The transition-state movements are interpreted by adopting the Hammond postulate for forced-unfolding. Forced-unfolding simulations of RNA, with handles attached to the two ends, show that the value of the unfolding force increases (especially at high pulling speeds) as the length of the handles increases. The pathways for refolding of RNA from stretched initial conformation, upon quenching fS to the quench force fQ, are highly heterogeneous. The refolding times, upon force-quench, are at least an order-of-magnitude greater than those obtained by temperature-quench. The long fQ-dependent refolding times starting from fully stretched states are analyzed using a model that accounts for the microscopic steps in the rate-limiting step, which involves the trans to gauche transitions of the dihedral angles in the GAAA tetraloop. The simulations with explicit molecular model for the handles show that the dynamics of force-quench refolding is strongly dependent on the interplay of their contour length and persistence length and the RNA persistence length. Using the generality of our results, we also make a number of precise experimentally testable predictions. PMID:16473903

Climate Implications of the Heterogeneity of Anthropogenic Aerosol Forcing

NASA Astrophysics Data System (ADS)

Persad, Geeta Gayatri

Short-lived anthropogenic aerosols are concentrated in regions of high human activity, where they interact with radiation and clouds, causing horizontally heterogeneous radiative forcing between polluted and unpolluted regions. Aerosols can absorb shortwave energy in the atmosphere, but deplete it at the surface, producing opposite radiative perturbations between the surface and atmosphere. This thesis investigates climate and policy implications of this horizontal and vertical heterogeneity of anthropogenic aerosol forcing, employing the Geophysical Fluid Dynamics Laboratory's AM2.1 and AM3 models, both at a global scale and using East Asia as a regional case study. The degree of difference between spatial patterns of climate change due to heterogeneous aerosol forcing versus homogeneous greenhouse gas forcing deeply impacts the detection, attribution, and prediction of regional climate change. This dissertation addresses a gap in current understanding of these two forcings' response pattern development, using AM2.1 historical forcing simulations. The results indicate that fast atmospheric and land-surface processes alone substantially homogenize the global pattern of surface energy flux response to heterogeneous aerosol forcing. Aerosols' vertical redistribution of energy significantly impacts regional climate, but is incompletely understood. It is newly identified here, via observations and historical and idealized forcing simulations, that increased aerosol-driven atmospheric absorption may explain half of East Asia's recent surface insolation decline. Further, aerosols' surface and atmospheric effects counteract each other regionally---atmospheric heating enhances summer monsoon circulation, while surface dimming suppresses it---but absorbing aerosols' combined effects reduce summer monsoon rainfall. This thesis constitutes the first vertical decomposition of aerosols' impacts in this high-emissions region and elucidates the monsoonal response to aerosols' surface versus atmospheric forcing. Future aerosol emissions patterns will affect the distribution of regional climate impacts. This dissertation interrogates how international trade affects existing assumptions about East Asia's future black carbon aerosol emissions, using integrated assessment modeling, emissions and economic data, and AM3 simulations. Exports emerge as a uniquely large and potentially growing source of Chinese black carbon emissions that could impede projected regional emissions reductions, with substantial climate and health consequences. The findings encourage greater emissions projection sophistication and illustrate how societal decisions may influence future aerosol forcing heterogeneity.

Dynamic climate emulators for solar geoengineering

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacMartin, Douglas G.; Kravitz, Ben

2016-12-22

Climate emulators trained on existing simulations can be used to project project the climate effects that result from different possible future pathways of anthropogenic forcing, without further relying on general circulation model (GCM) simulations. We extend this idea to include different amounts of solar geoengineering in addition to different pathways of greenhouse gas concentrations, by training emulators from a multi-model ensemble of simulations from the Geoengineering Model Intercomparison Project (GeoMIP). The emulator is trained on the abrupt 4 × CO 2 and a compensating solar reduction simulation (G1), and evaluated by comparing predictions against a simulated 1 % per yearmore » CO 2 increase and a similarly smaller solar reduction (G2). We find reasonable agreement in most models for predicting changes in temperature and precipitation (including regional effects), and annual-mean Northern Hemisphere sea ice extent, with the difference between simulation and prediction typically being smaller than natural variability. This verifies that the linearity assumption used in constructing the emulator is sufficient for these variables over the range of forcing considered. Annual-minimum Northern Hemisphere sea ice extent is less well predicted, indicating a limit to the linearity assumption.« less

A study with ESI PAM-STAMP® on the influence of tool deformation on final part quality during a forming process

NASA Astrophysics Data System (ADS)

Vrolijk, Mark; Ogawa, Takayuki; Camanho, Arthur; Biasutti, Manfredi; Lorenz, David

2018-05-01

As a result from the ever increasing demand to produce lighter vehicles, more and more advanced high-strength materials are used in automotive industry. Focusing on sheet metal cold forming processes, these materials require high pressing forces and exhibit large springback after forming. Due to the high pressing forces deformations occur in the tooling geometry, introducing dimensional inaccuracies in the blank and potentially impact the final springback behavior. As a result the tool deformations can have an impact on the final assembly or introduce cosmetic defects. Often several iterations are required in try-out to obtain the required tolerances, with costs going up to as much as 30% of the entire product development cost. To investigate the sheet metal part feasibility and quality, in automotive industry CAE tools are widely used. However, in current practice the influence of the tool deformations on the final part quality is generally neglected and simulations are carried out with rigid tools to avoid drastically increased calculation times. If the tool deformation is analyzed through simulation it is normally done at the end of the drawing prosses, when contact conditions are mapped on the die structure and a static analysis is performed to check the deflections of the tool. But this method does not predict the influence of these deflections on the final quality of the part. In order to take tool deformations into account during drawing simulations, ESI has developed the ability to couple solvers efficiently in a way the tool deformations can be real-time included in the drawing simulation without high increase in simulation time compared to simulations with rigid tools. In this paper a study will be presented which demonstrates the effect of tool deformations on the final part quality.

Investigating the effect and uncertainties of light absorbing impurities in snow and ice on snow melt and discharge generation using a hydrologic catchment model and satellite data

NASA Astrophysics Data System (ADS)

Matt, Felix; Burkhart, John F.

2017-04-01

Light absorbing impurities in snow and ice (LAISI) originating from atmospheric deposition enhance snow melt by increasing the absorption of short wave radiation. The consequences are a shortening of the snow cover duration due to increased snow melt and, with respect to hydrologic processes, a temporal shift in the discharge generation. However, the magnitude of these effects as simulated in numerical models have large uncertainties, originating mainly from uncertainties in the wet and dry deposition of light absorbing aerosols, limitations in the model representation of the snowpack, and the lack of observable variables required to estimate model parameters and evaluate the simulated variables connected with the representation of LAISI. This leads to high uncertainties in the additional energy absorbed by the snow due to the presence of LAISI, a key variable in understanding snowpack energy-balance dynamics. In this study, we assess the effect of LAISI on snow melt and discharge generation and the involved uncertainties in a high mountain catchment located in the western Himalayas by using a distributed hydrological catchment model with focus on the representation of the seasonal snow pack. The snow albedo is hereby calculated from a radiative transfer model for snow, taking the increased absorption of short wave radiation by LAISI into account. Meteorological forcing data is generated from an assimilation of observations and high resolution WRF simulations, and LAISI mixing ratios from deposition rates of Black Carbon simulated with the FLEXPART model. To asses the quality of our simulations and the related uncertainties, we compare the simulated additional energy absorbed by the snow due to the presence of LAISI to the MODIS Dust Radiative Forcing in Snow (MODDRFS) algorithm satellite product.

Contact forces between a particle and a wet wall at both quasi-static and dynamic state

NASA Astrophysics Data System (ADS)

Zhang, Huang; Chen, Sheng; Li, Shuiqing

2017-06-01

The contact regime of particle-wall is investigated by the atomic force microscope (AFM) and theoretical models. First, AFM is used to measure the cohesive force between a micron-sized grain and a glass plate at quasi-static state under various humidity. It is found out that the cohesive force starts to grow slowly and suddenly increase rapidly beyond a critical Relative Humidity (RH). Second, mathematical models of contacting forces are presented to depict the dynamic process that a particle impacts on a wet wall. Then the energy loss of a falling grain is calculated in comparison with the models and the experimental data from the previous references. The simulation results show that the force models presented here are adaptive for both low and high viscosity fluid films with different thickness.

[Demography and labor shortage. Future challenges of labor market policy].

PubMed

Fuchs, J

2013-03-01

For demographic reasons, the German labor force will decrease dramatically and it will be much older on average. However, labor demand, especially for qualified workers, is expected to remain high. This paper focuses on the possibilities of expanding the labor force by increasing the participation rates of women and older persons. Herein, the change in the labor force is decomposed with respect to population and labor participation and, moreover, the effects of higher participation rates are simulated. The decomposition and simulation scenarios are based on data published by the Institute for Employment Research. The analysis clearly reveals that the effect of a considerably higher labor participation of women and older workers will disappear over time when the working-age population shrinks more and more. In addition, individuals who are currently unemployed or out of the labor force are not skilled enough. Since it seems difficult to get more qualified workers in the short and even in the medium term, improving the conditions for women and older people to take up jobs should be tackled soon. This includes investments in education and health care.

Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

NASA Technical Reports Server (NTRS)

Jaffe, Richard; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

Chemistry-Climate Model Simulations of Twenty-First Century Stratospheric Climate and Circulation Changes

DTIC Science & Technology

2010-10-15

cycle under volcanically clean aerosol conditions. Those models that do not reproduce a quasi- biennial oscillation ( QBO ) also include a relaxation...forc- ing toward the observed QBO (Giorgetta and Bengtsson 1999) for the SCN2 simulations. Table 2 summarizes the simulations used in this study and any...However simulations from three of the models included a future solar forcing and two models included an artificial QBO forcing in the tropics (see

Simulation study of disruption characteristics in KSTAR

NASA Astrophysics Data System (ADS)

Lee, Jongkyu; Kim, J. Y.; Kessel, C. E.; Poli, F.

2012-10-01

A detailed simulation study of disruption in KSTAR had been performed using the Tokamak Simulation Code(TSC) [1] during the initial design phase of KSTAR [2]. Recently, however, a partial modification in the structure of passive plate was made in relation to reduce eddy current and increase the efficiency of control of vertical position. A substantial change can then occur in disruption characteristics and plasma behavior during disruption due to changes in passive plate structure. Because of this, growth rate of vertical instability is expected to be increased and eddy current and its associated electomagnetic force are expected to be reduced. To check this in more detail, a new simulation study is here given with modified passive plate structure of KSTAR. In particular, modeling of vertical disruption that is vertical displacement event (VDE) was carried out. We calculated vertical growth rate for a drift phase of plasma and electromagnetic force acting on PFC structures and compared the results between in a new model and an old model. [4pt] [1] S.C. Jardin, N. Pomphrey and J. Delucia, J. Comp. Phys. 66, 481 (1986).[0pt] [2] J.Y. Kim, S.Y. Cho and KSTAR Team, Disruption load analysis on KSTAR PFC structures, J. Accel. Plasma Res. 5, 149 (2000).

Posterior Tibial Slope Angle Correlates With Peak Sagittal and Frontal Plane Knee Joint Loading During Robotic Simulations of Athletic Tasks.

PubMed

Bates, Nathaniel A; Nesbitt, Rebecca J; Shearn, Jason T; Myer, Gregory D; Hewett, Timothy E

2016-07-01

Tibial slope angle is a nonmodifiable risk factor for anterior cruciate ligament (ACL) injury. However, the mechanical role of varying tibial slopes during athletic tasks has yet to be clinically quantified. To examine the influence of posterior tibial slope on knee joint loading during controlled, in vitro simulation of the knee joint articulations during athletic tasks. Descriptive laboratory study. A 6 degree of freedom robotic manipulator positionally maneuvered cadaveric knee joints from 12 unique specimens with varying tibial slopes (range, -7.7° to 7.7°) through drop vertical jump and sidestep cutting tasks that were derived from 3-dimensional in vivo motion recordings. Internal knee joint torques and forces were recorded throughout simulation and were linearly correlated with tibial slope. The mean (±SD) posterior tibial slope angle was 2.2° ± 4.3° in the lateral compartment and 2.3° ± 3.3° in the medial compartment. For simulated drop vertical jumps, lateral compartment tibial slope angle expressed moderate, direct correlations with peak internally generated knee adduction (r = 0.60-0.65), flexion (r = 0.64-0.66), lateral (r = 0.57-0.69), and external rotation torques (r = 0.47-0.72) as well as inverse correlations with peak abduction (r = -0.42 to -0.61) and internal rotation torques (r = -0.39 to -0.79). Only frontal plane torques were correlated during sidestep cutting simulations. For simulated drop vertical jumps, medial compartment tibial slope angle expressed moderate, direct correlations with peak internally generated knee flexion torque (r = 0.64-0.69) and lateral knee force (r = 0.55-0.74) as well as inverse correlations with peak external torque (r = -0.34 to -0.67) and medial knee force (r = -0.58 to -0.59). These moderate correlations were also present during simulated sidestep cutting. The investigation supported the theory that increased posterior tibial slope would lead to greater magnitude knee joint moments, specifically, internally generated knee adduction and flexion torques. The knee torques that positively correlated with increased tibial slope angle in this investigation are associated with heightened risk of ACL injury. Therefore, the present data indicated that a higher posterior tibial slope is correlated to increased knee loads that are associated with heightened risk of ACL injury. © 2016 The Author(s).

LightForce photon-pressure collision avoidance: Efficiency analysis in the current debris environment and long-term simulation perspective

NASA Astrophysics Data System (ADS)

Yang Yang, Fan; Nelson, Bron; Aziz, Jonathan; Carlino, Roberto; Dono Perez, Andres; Faber, Nicolas; Foster, Cyrus; Frost, Chad; Henze, Chris; Karacalıoğlu, Arif Göktuğ; Levit, Creon; Marshall, William; Mason, James; O'Toole, Conor; Swenson, Jason; Worden, Simon P.; Stupl, Jan

2016-09-01

This work provides an efficiency analysis of the LightForce space debris collision avoidance scheme in the current debris environment and describes a simulation approach to assess its impact on the long-term evolution of the space debris environment. LightForce aims to provide just-in-time collision avoidance by utilizing photon pressure from ground-based industrial lasers. These ground stations impart minimal accelerations to increase the miss distance for a predicted conjunction between two objects. In the first part of this paper we will present research that investigates the short-term effect of a few systems consisting of 20 kW class lasers directed by 1.5 m diameter telescopes using adaptive optics. The results found such a network of ground stations to mitigate more than 85 percent of conjunctions and could lower the expected number of collisions in Low Earth Orbit (LEO) by an order of magnitude. While these are impressive numbers that indicate LightForce's utility in the short-term, the remaining 15 % of possible collisions contain (among others) conjunctions between two massive objects that would add large amount of debris if they collide. Still, conjunctions between massive objects and smaller objects can be mitigated. Hence, we choose to expand the capabilities of the simulation software to investigate the overall effect of a network of LightForce stations on the long-term debris evolution. In the second part of this paper, we will present the planned simulation approach for that effort. For the efficiency analysis of collision avoidance in the current debris environment, we utilize a simulation approach that uses the entire Two Line Element (TLE) catalog in LEO for a given day as initial input. These objects are propagated for one year and an all-on-all conjunction analysis is performed. For conjunctions that fall below a range threshold, we calculate the probability of collision and record those values. To assess efficiency, we compare a baseline (without collision avoidance) conjunction analysis with an analysis where LightForce is active. Using that approach, we take into account that collision avoidance maneuvers could have effects on third objects. Performing all-on-all conjunction analyses for extended period of time requires significant computer resources; hence we implemented this simulation utilizing a highly parallel approach on the NASA Pleiades supercomputer.

LightForce photon-pressure collision avoidance: Efficiency analysis in the current debris environment and long-term simulation perspective.

PubMed

Yang, Fan Yang; Nelson, Bron; Aziz, Jonathan; Carlino, Roberto; Perez, Andres Dono; Faber, Nicolas; Foster, Cyrus; Frost, Chad; Henze, Chris; Karacalıoğlu, Arif Göktuğ; Levit, Creon; Marshall, William; Mason, James; O'Toole, Conor; Swenson, Jason; Worden, Simon P; Stupl, Jan

2016-09-01

This work provides an efficiency analysis of the LightForce space debris collision avoidance scheme in the current debris environment and describes a simulation approach to assess its impact on the long-term evolution of the space debris environment. LightForce aims to provide just-in-time collision avoidance by utilizing photon pressure from ground-based industrial lasers. These ground stations impart minimal accelerations to increase the miss distance for a predicted conjunction between two objects. In the first part of this paper we will present research that investigates the short-term effect of a few systems consisting of 20 kW class lasers directed by 1.5 m diameter telescopes using adaptive optics. The results found such a network of ground stations to mitigate more than 85 percent of conjunctions and could lower the expected number of collisions in Low Earth Orbit (LEO) by an order of magnitude. While these are impressive numbers that indicate LightForce's utility in the short-term, the remaining 15 % of possible collisions contain (among others) conjunctions between two massive objects that would add large amount of debris if they collide. Still, conjunctions between massive objects and smaller objects can be mitigated. Hence, we choose to expand the capabilities of the simulation software to investigate the overall effect of a network of LightForce stations on the long-term debris evolution. In the second part of this paper, we will present the planned simulation approach for that effort. For the efficiency analysis of collision avoidance in the current debris environment, we utilize a simulation approach that uses the entire Two Line Element (TLE) catalog in LEO for a given day as initial input. These objects are propagated for one year and an all-on-all conjunction analysis is performed. For conjunctions that fall below a range threshold, we calculate the probability of collision and record those values. To assess efficiency, we compare a baseline (without collision avoidance) conjunction analysis with an analysis where LightForce is active. Using that approach, we take into account that collision avoidance maneuvers could have effects on third objects. Performing all-on-all conjunction analyses for extended period of time requires significant computer resources; hence we implemented this simulation utilizing a highly parallel approach on the NASA Pleiades supercomputer.

Simulation of the Atmospheric Boundary Layer for Wind Energy Applications

NASA Astrophysics Data System (ADS)

Marjanovic, Nikola

Energy production from wind is an increasingly important component of overall global power generation, and will likely continue to gain an even greater share of electricity production as world governments attempt to mitigate climate change and wind energy production costs decrease. Wind energy generation depends on wind speed, which is greatly influenced by local and synoptic environmental forcings. Synoptic forcing, such as a cold frontal passage, exists on a large spatial scale while local forcing manifests itself on a much smaller scale and could result from topographic effects or land-surface heat fluxes. Synoptic forcing, if strong enough, may suppress the effects of generally weaker local forcing. At the even smaller scale of a wind farm, upstream turbines generate wakes that decrease the wind speed and increase the atmospheric turbulence at the downwind turbines, thereby reducing power production and increasing fatigue loading that may damage turbine components, respectively. Simulation of atmospheric processes that span a considerable range of spatial and temporal scales is essential to improve wind energy forecasting, wind turbine siting, turbine maintenance scheduling, and wind turbine design. Mesoscale atmospheric models predict atmospheric conditions using observed data, for a wide range of meteorological applications across scales from thousands of kilometers to hundreds of meters. Mesoscale models include parameterizations for the major atmospheric physical processes that modulate wind speed and turbulence dynamics, such as cloud evolution and surface-atmosphere interactions. The Weather Research and Forecasting (WRF) model is used in this dissertation to investigate the effects of model parameters on wind energy forecasting. WRF is used for case study simulations at two West Coast North American wind farms, one with simple and one with complex terrain, during both synoptically and locally-driven weather events. The model's performance with different grid nesting configurations, turbulence closures, and grid resolutions is evaluated by comparison to observation data. Improvement to simulation results from the use of more computationally expensive high resolution simulations is only found for the complex terrain simulation during the locally-driven event. Physical parameters, such as soil moisture, have a large effect on locally-forced events, and prognostic turbulence kinetic energy (TKE) schemes are found to perform better than non-local eddy viscosity turbulence closure schemes. Mesoscale models, however, do not resolve turbulence directly, which is important at finer grid resolutions capable of resolving wind turbine components and their interactions with atmospheric turbulence. Large-eddy simulation (LES) is a numerical approach that resolves the largest scales of turbulence directly by separating large-scale, energetically important eddies from smaller scales with the application of a spatial filter. LES allows higher fidelity representation of the wind speed and turbulence intensity at the scale of a wind turbine which parameterizations have difficulty representing. Use of high-resolution LES enables the implementation of more sophisticated wind turbine parameterizations to create a robust model for wind energy applications using grid spacing small enough to resolve individual elements of a turbine such as its rotor blades or rotation area. Generalized actuator disk (GAD) and line (GAL) parameterizations are integrated into WRF to complement its real-world weather modeling capabilities and better represent wind turbine airflow interactions, including wake effects. The GAD parameterization represents the wind turbine as a two-dimensional disk resulting from the rotation of the turbine blades. Forces on the atmosphere are computed along each blade and distributed over rotating, annular rings intersecting the disk. While typical LES resolution (10-20 m) is normally sufficient to resolve the GAD, the GAL parameterization requires significantly higher resolution (1-3 m) as it does not distribute the forces from the blades over annular elements, but applies them along lines representing individual blades. In this dissertation, the GAL is implemented into WRF and evaluated against the GAD parameterization from two field campaigns that measured the inflow and near-wake regions of a single turbine. The data-sets are chosen to allow validation under the weakly convective and weakly stable conditions characterizing most turbine operations. The parameterizations are evaluated with respect to their ability to represent wake wind speed, variance, and vorticity by comparing fine-resolution GAD and GAL simulations along with coarse-resolution GAD simulations. Coarse-resolution GAD simulations produce aggregated wake characteristics similar to both GAD and GAL simulations (saving on computational cost), while the GAL parameterization enables resolution of near wake physics (such as vorticity shedding and wake expansion) for high fidelity applications. (Abstract shortened by ProQuest.).

Influence of trabecular bone quality and implantation direction on press-fit mechanics.

PubMed

Damm, Niklas B; Morlock, Michael M; Bishop, Nicholas E

2017-02-01

Achieving primary stability of uncemented press-fit prostheses in patients with poor quality bone can involve axial implantation forces large enough to cause bone fracture. Radial implantation eliminates intraoperative impaction forces and could prevent this damage. Platens of two commercial implant surfaces ("Beaded" and "Flaked") were implanted onto trabecular bone specimens of varying quality in a press-fit simulator. Samples were implanted with varying interference, either axially (shear) or radially (normal). Push-in and pull-out forces were measured to assess stability. Microstructural changes in the bone were determined from μCT analysis. For force-defined implantation analysis, push-in and pull-out forces both increased proportionally with increasing radial force, independent of implantation direction, bone quality or implant surface. For position-defined implantation analysis, pull-out forces were generally found to increase with interference and to be greater for radial than axial implantation direction, and to be lower for poor quality bone. Bone density increased locally at the tested interface due to implantation, in particular for the Beaded surface under axial implantation. If a safe radial stress can be determined for cortical bone in a particular patient, the associated implantation force, and pull-out force which represents primary stability, can be directly derived, regardless of implantation direction, bone quality or implant surface. Radial implantation delivers primary stability that is no worse than that for axial implantation and may eliminate potentially damaging impaction forces. Development of implant designs based on this principal might improve implant fixation. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:224-233, 2017. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Human Influence on Tropical Cyclone Intensity

NASA Technical Reports Server (NTRS)

Sobel, Adam H.; Camargo, Suzana J.; Hall, Timothy M.; Lee, Chia-Ying; Tippett, Michael K.; Wing, Allison A.

2016-01-01

Recent assessments agree that tropical cyclone intensity should increase as the climate warms. Less agreement exists on the detection of recent historical trends in tropical cyclone intensity.We interpret future and recent historical trends by using the theory of potential intensity, which predicts the maximum intensity achievable by a tropical cyclone in a given local environment. Although greenhouse gas-driven warming increases potential intensity, climate model simulations suggest that aerosol cooling has largely canceled that effect over the historical record. Large natural variability complicates analysis of trends, as do poleward shifts in the latitude of maximum intensity. In the absence of strong reductions in greenhouse gas emissions, future greenhouse gas forcing of potential intensity will increasingly dominate over aerosol forcing, leading to substantially larger increases in tropical cyclone intensities.

Transpiration-driven aridification of the American West in 21st-Century model projections

NASA Astrophysics Data System (ADS)

Mankin, J. S.; Smerdon, J. E.; Cook, B.; Williams, P.; Seager, R.

2016-12-01

Climate models project significant 21st-Century declines in soil moisture and runoff over the American West from anthropogenic climate change, but the associated physical mechanisms are poorly characterized. In particular, there are significant uncertainties regarding the modulation of evaporative losses by vegetation and how the physical determinants (i.e., changes in moisture supply and demand) of future surface moisture balance will vary in time, space, and depth in the soil. Using 35-members of the NCAR CESM large ensemble (LENS) and 1800 years of its pre-industrial control simulation, we examine the response of Western surface moisture balance (soil moisture and runoff) to anthropogenic forcing. Declines in runoff and soil moisture are forced primarily by robust increases in evapotranspiration (from increased plant transpiration and canopy evaporation from leaf area index increases), rather than more uncertain changes in total precipitation. This increased water loss occurs even with significant and widespread increases in plant water-use efficiency. Additionally, snowpack reductions in the Rockies and the Pacific Northwest contribute to reductions in summer-season deep soil moisture, while increased transpiration dries out near surface soil moisture even in regions where total precipitation increases. When coupled with a warming- and CO2-induced shift in phenology and increase in net primary production, these vegetation changes reduce peak summer soil moisture and runoff considerably. Our results thus point to a large role for simulated vegetation responses in determining future Western aridity, highlighting the importance of reducing the substantial extant uncertainties in vegetation processes simulated within climate models.

Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations.

PubMed

Buslaev, Pavel; Gordeliy, Valentin; Grudinin, Sergei; Gushchin, Ivan

2016-03-08

Molecular dynamics simulations of lipid bilayers are ubiquitous nowadays. Usually, either global properties of the bilayer or some particular characteristics of each lipid molecule are evaluated in such simulations, but the structural properties of the molecules as a whole are rarely studied. Here, we show how a comprehensive quantitative description of conformational space and dynamics of a single lipid molecule can be achieved via the principal component analysis (PCA). We illustrate the approach by analyzing and comparing simulations of DOPC bilayers obtained using eight different force fields: all-atom generalized AMBER, CHARMM27, CHARMM36, Lipid14, and Slipids and united-atom Berger, GROMOS43A1-S3, and GROMOS54A7. Similarly to proteins, most of the structural variance of a lipid molecule can be described by only a few principal components. These major components are similar in different simulations, although there are notable distinctions between the older and newer force fields and between the all-atom and united-atom force fields. The DOPC molecules in the simulations generally equilibrate on the time scales of tens to hundreds of nanoseconds. The equilibration is the slowest in the GAFF simulation and the fastest in the Slipids simulation. Somewhat unexpectedly, the equilibration in the united-atom force fields is generally slower than in the all-atom force fields. Overall, there is a clear separation between the more variable previous generation force fields and significantly more similar new generation force fields (CHARMM36, Lipid14, Slipids). We expect that the presented approaches will be useful for quantitative analysis of conformations and dynamics of individual lipid molecules in other simulations of lipid bilayers.

Contributions of natural and anthropogenic radiative forcing to mass loss of Northern Hemisphere mountain glaciers and quantifying their uncertainties.

PubMed

Hirabayashi, Yukiko; Nakano, Kazunari; Zhang, Yong; Watanabe, Satoshi; Tanoue, Masahiro; Kanae, Shinjiro

2016-07-20

Observational evidence indicates that a number of glaciers have lost mass in the past. Given that glaciers are highly impacted by the surrounding climate, human-influenced global warming may be partly responsible for mass loss. However, previous research studies have been limited to analyzing the past several decades, and it remains unclear whether past glacier mass losses are within the range of natural internal climate variability. Here, we apply an optimal fingerprinting technique to observed and reconstructed mass losses as well as multi-model general circulation model (GCM) simulations of mountain glacier mass to detect and attribute past glacier mass changes. An 8,800-year control simulation of glaciers enabled us to evaluate detectability. The results indicate that human-induced increases in greenhouse gases have contributed to the decreased area-weighted average masses of 85 analyzed glaciers. The effect was larger than the mass increase caused by natural forcing, although the contributions of natural and anthropogenic forcing to decreases in mass varied at the local scale. We also showed that the detection of anthropogenic or natural influences could not be fully attributed when natural internal climate variability was taken into account.

Contributions of natural and anthropogenic radiative forcing to mass loss of Northern Hemisphere mountain glaciers and quantifying their uncertainties

NASA Astrophysics Data System (ADS)

Hirabayashi, Yukiko; Nakano, Kazunari; Zhang, Yong; Watanabe, Satoshi; Tanoue, Masahiro; Kanae, Shinjiro

2016-07-01

Observational evidence indicates that a number of glaciers have lost mass in the past. Given that glaciers are highly impacted by the surrounding climate, human-influenced global warming may be partly responsible for mass loss. However, previous research studies have been limited to analyzing the past several decades, and it remains unclear whether past glacier mass losses are within the range of natural internal climate variability. Here, we apply an optimal fingerprinting technique to observed and reconstructed mass losses as well as multi-model general circulation model (GCM) simulations of mountain glacier mass to detect and attribute past glacier mass changes. An 8,800-year control simulation of glaciers enabled us to evaluate detectability. The results indicate that human-induced increases in greenhouse gases have contributed to the decreased area-weighted average masses of 85 analyzed glaciers. The effect was larger than the mass increase caused by natural forcing, although the contributions of natural and anthropogenic forcing to decreases in mass varied at the local scale. We also showed that the detection of anthropogenic or natural influences could not be fully attributed when natural internal climate variability was taken into account.

Effect of hydrostatic pressure on gas solubilization in micelles.

PubMed

Meng, Bin; Ashbaugh, Henry S

2015-03-24

Molecular dynamics simulations of anionic sodium decylsulfate and nonionic pentaethylene glycol monodecyl ether micelles in water have been performed to examine the impact of hydrostatic pressure on argon solubilization as a function of pressure. The potential-of-mean force between the micelles and argon demonstrates that nonpolar gases are attracted to the interiors of both micelles. The affinity of argon for micelle interiors, however, decreases with increasing pressure as a result of the comparatively higher molar volume of argon inside assemblies. We evaluate solubility enhancement coefficients, which describe the drop in the solute chemical potential as a function of the micellized surfactant concentration, to quantify the impact of micellization on gas solubilization. While argon is similarly attracted to the hydrophobic cores of both micelles, the gas is more effectively sequestered within nonionic micelles compared with anionic micelles as a result of salting out by charged head groups and accompanying counterions. The solubility enhancement coefficients of both micelles decrease with increasing pressure, reflecting the changing forces observed in the potentials-of-mean force. An analytical liquid drop model is proposed to describe the pressure dependence of argon solubilization within micelles that captures the simulation solubility enhancement coefficients after fitting an effective micelle radius for each surfactant.

Primary production sensitivity to phytoplankton light attenuation parameter increases with transient forcing

NASA Astrophysics Data System (ADS)

Kvale, Karin F.; Meissner, Katrin J.

2017-10-01

Treatment of the underwater light field in ocean biogeochemical models has been attracting increasing interest, with some models moving towards more complex parameterisations. We conduct a simple sensitivity study of a typical, highly simplified parameterisation. In our study, we vary the phytoplankton light attenuation parameter over a range constrained by data during both pre-industrial equilibrated and future climate scenario RCP8.5. In equilibrium, lower light attenuation parameters (weaker self-shading) shift net primary production (NPP) towards the high latitudes, while higher values of light attenuation (stronger shelf-shading) shift NPP towards the low latitudes. Climate forcing magnifies this relationship through changes in the distribution of nutrients both within and between ocean regions. Where and how NPP responds to climate forcing can determine the magnitude and sign of global NPP trends in this high CO2 future scenario. Ocean oxygen is particularly sensitive to parameter choice. Under higher CO2 concentrations, two simulations establish a strong biogeochemical feedback between the Southern Ocean and low-latitude Pacific that highlights the potential for regional teleconnection. Our simulations serve as a reminder that shifts in fundamental properties (e.g. light attenuation by phytoplankton) over deep time have the potential to alter global biogeochemistry.

Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.

PubMed

Frembgen-Kesner, Tamara; Andrews, Casey T; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A; Jain, Aakash; Olayiwola, Oluwatoni J; Weishaar, Mitch R; Elcock, Adrian H

2015-05-12

Recently, we reported the parametrization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral, and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral, and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downward in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multidomain proteins connected by flexible linkers.

Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview.

PubMed

Riniker, Sereina

2018-03-26

In molecular dynamics or Monte Carlo simulations, the interactions between the particles (atoms) in the system are described by a so-called force field. The empirical functional form of classical fixed-charge force fields dates back to 1969 and remains essentially unchanged. In a fixed-charge force field, the polarization is not modeled explicitly, i.e. the effective partial charges do not change depending on conformation and environment. This simplification allows, however, a dramatic reduction in computational cost compared to polarizable force fields and in particular quantum-chemical modeling. The past decades have shown that simulations employing carefully parametrized fixed-charge force fields can provide useful insights into biological and chemical questions. This overview focuses on the four major force-field families, i.e. AMBER, CHARMM, GROMOS, and OPLS, which are based on the same classical functional form and are continuously improved to the present day. The overview is aimed at readers entering the field of (bio)molecular simulations. More experienced users may find the comparison and historical development of the force-field families interesting.

Non-inertial calibration of vibratory gyroscopes

NASA Technical Reports Server (NTRS)

Gutierrez, Roman C. (Inventor); Tang, Tony K. (Inventor)

2003-01-01

The electrostatic elements already present in a vibratory gyroscope are used to simulate the Coriolis forces. An artificial electrostatic rotation signal is added to the closed-loop force rebalance system. Because the Coriolis force is at the same frequency as the artificial electrostatic force, the simulated force may be introduced into the system to perform an inertial test on MEMS vibratory gyroscopes without the use of a rotation table.

Co-pyrolysis mechanism of seaweed polysaccharides and cellulose based on macroscopic experiments and molecular simulations.

PubMed

Wang, Shuang; Xia, Zhen; Hu, Yamin; He, Zhixia; Uzoejinwa, Benjamin Bernard; Wang, Qian; Cao, Bin; Xu, Shanna

2017-03-01

Co-pyrolysis conversion of seaweed (Enteromorpha clathrat and Sargassum fusiforme) polysaccharides and cellulose has been investigated. From the Py-GC/MS results, Enteromorpha clathrata (EN) polysaccharides pyrolysis mainly forms furans; while the products of Sargassum fusiforme (SA) polysaccharides pyrolysis are mainly acid esters. The formation mechanisms of H 2 O, CO 2 , and SO 2 during the pyrolysis of seaweed polysaccharides were analyzed using the thermogravimetric-mass spectrometry. Meanwhile the pyrolysis of seaweed polysaccharide based on the Amber and the ReaxFF force fields, has also been proposed and simulated respectively. The simulation results coincided with the experimental results. During the fast pyrolysis, strong synergistic effects among cellulose and seaweed polysaccharide molecules have been simulated. By comparing the experimental and simulation value, it has been found that co-pyrolysis could increase the number of molecular fragments, increase the pyrolysis conversion rate, and increase gas production rate at the middle temperature range. Copyright © 2016 Elsevier Ltd. All rights reserved.

Western Pacific emergent constraint lowers projected increase in Indian summer monsoon rainfall

NASA Astrophysics Data System (ADS)

Li, Gen; Xie, Shang-Ping; He, Chao; Chen, Zesheng

2017-10-01

The agrarian-based socioeconomic livelihood of densely populated South Asian countries is vulnerable to modest changes in Indian summer monsoon (ISM) rainfall. How the ISM rainfall will evolve is a question of broad scientific and socioeconomic importance. In response to increased greenhouse gas (GHG) forcing, climate models commonly project an increase in ISM rainfall. This wetter ISM projection, however, does not consider large model errors in both the mean state and ocean warming pattern. Here we identify a relationship between biases in simulated present climate and future ISM projections in a multi-model ensemble: models with excessive present-day precipitation over the tropical western Pacific tend to project a larger increase in ISM rainfall under GHG forcing because of too strong a negative cloud-radiation feedback on sea surface temperature. The excessive negative feedback suppresses the local ocean surface warming, strengthening ISM rainfall projections via atmospheric circulation. We calibrate the ISM rainfall projections using this `present-future relationship’ and observed western Pacific precipitation. The correction reduces by about 50% of the projected rainfall increase over the broad ISM region. Our study identifies an improved simulation of western Pacific convection as a priority for reliable ISM projections.

Developing a molecular dynamics force field for both folded and disordered protein states.

PubMed

Robustelli, Paul; Piana, Stefano; Shaw, David E

2018-05-07

Molecular dynamics (MD) simulation is a valuable tool for characterizing the structural dynamics of folded proteins and should be similarly applicable to disordered proteins and proteins with both folded and disordered regions. It has been unclear, however, whether any physical model (force field) used in MD simulations accurately describes both folded and disordered proteins. Here, we select a benchmark set of 21 systems, including folded and disordered proteins, simulate these systems with six state-of-the-art force fields, and compare the results to over 9,000 available experimental data points. We find that none of the tested force fields simultaneously provided accurate descriptions of folded proteins, of the dimensions of disordered proteins, and of the secondary structure propensities of disordered proteins. Guided by simulation results on a subset of our benchmark, however, we modified parameters of one force field, achieving excellent agreement with experiment for disordered proteins, while maintaining state-of-the-art accuracy for folded proteins. The resulting force field, a99SB- disp , should thus greatly expand the range of biological systems amenable to MD simulation. A similar approach could be taken to improve other force fields. Copyright © 2018 the Author(s). Published by PNAS.

Neural cryptography with feedback.

PubMed

Ruttor, Andreas; Kinzel, Wolfgang; Shacham, Lanir; Kanter, Ido

2004-04-01

Neural cryptography is based on a competition between attractive and repulsive stochastic forces. A feedback mechanism is added to neural cryptography which increases the repulsive forces. Using numerical simulations and an analytic approach, the probability of a successful attack is calculated for different model parameters. Scaling laws are derived which show that feedback improves the security of the system. In addition, a network with feedback generates a pseudorandom bit sequence which can be used to encrypt and decrypt a secret message.

Guiding-center equations for electrons in ultraintense laser fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, J.E.; Fisch, N.J.

1994-01-01

The guiding-center equations are derived for electrons in arbitrarily intense laser fields also subject to external fields and ponderomotive forces. Exhibiting the relativistic mass increase of the oscillating electrons, a simple frame-invariant equation is shown to govern the behavior of the electrons for sufficiently weak background fields and ponderomotive forces. The parameter regime for which such a formulation is valid is made precise, and some predictions of the equation are checked by numerical simulation.

Plethora of transitions during breakup of liquid filaments

DOE PAGES

Castrejón-Pita, José Rafael; Castrejón-Pita, Alfonso Arturo; Thete, Sumeet Suresh; ...

2015-03-30

Thinning and breakup of liquid filaments are central to dripping of leaky faucets, inkjet drop formation, and raindrop fragmentation. As the filament radius decreases, curvature and capillary pressure, both inversely proportional to radius, increase and fluid is expelled with increasing velocity from the neck. As the neck radius vanishes, the governing equations become singular and the filament breaks. In slightly viscous liquids, thinning initially occurs in an inertial regime where inertial and capillary forces balance. By contrast, in highly viscous liquids, initial thinning occurs in a viscous regime where viscous and capillary forces balance. As the filament thins, viscous forcesmore » in the former case and inertial forces in the latter become important, and theory shows that the filament approaches breakup in the final inertial–viscous regime where all three forces balance. However, previous simulations and experiments reveal that transition from an initial to the final regime either occurs at a value of filament radius well below that predicted by theory or is not observed. In this paper, we perform new simulations and experiments, and show that a thinning filament unexpectedly passes through a number of intermediate transient regimes, thereby delaying onset of the inertial–viscous regime. Finally, the new findings have practical implications regarding formation of undesirable satellite droplets and also raise the question as to whether similar dynamical transitions arise in other free-surface flows such as coalescence that also exhibit singularities.« less

Radiative Forcing and Temperature Response to Changes in Urban Albedos and Associated CO2 Offsets

NASA Technical Reports Server (NTRS)

Menon, Surabi; Akbari, Hashem; Mahanama, Sarith; Sednev, Igor; Levinson, Ronnen

2009-01-01

The two main forcings that can counteract to some extent the positive forcings from greenhouse gases from pre-industrial times to present-day are the aerosol and related aerosol-cloud forcings, and the radiative response to changes in surface albedo. Here, we quantify the change in radiative forcing and surface temperature that may be obtained by increasing the albedos of roofs and pavements in urban areas in temperate and tropical regions of the globe. Using the catchment land surface model (the land model coupled to the GEOS-5 Atmospheric General Circulation Model), we quantify the response of the total outgoing (outgoing shortwave+longwave) radiation to urban albedo changes. Globally, the total outgoing radiation increased by 0.5 W/square m and temperature decreased by -0.008 K for an average 0.003 increase in albedo. For the U.S. the total outgoing total radiation increased by 2.3 W/square meter, and temperature decreased by approximately 0.03 K for an average 0.01 increase in albedo. These values are for the boreal summer (Tune-July-August). Based on these forcings, the expected emitted CO2 offset for a plausible 0.25 and 0.15 increase in albedos of roofs and pavements, respectively, for all global urban areas, was found to be approximately 57 Gt CO2 . A more meaningful evaluation of the impacts of urban albedo increases on climate and the expected CO2 offsets would require simulations which better characterizes urban surfaces and represents the full annual cycle.

The effects of posterior cruciate ligament deficiency on posterolateral corner structures under gait- and squat-loading conditions

PubMed Central

Kang, K-T.; Koh, Y-G.; Jung, M.; Nam, J-H.; Son, J.; Lee, Y.H.

2017-01-01

Objectives The aim of the current study was to analyse the effects of posterior cruciate ligament (PCL) deficiency on forces of the posterolateral corner structure and on tibiofemoral (TF) and patellofemoral (PF) contact force under dynamic-loading conditions. Methods A subject-specific knee model was validated using a passive flexion experiment, electromyography data, muscle activation, and previous experimental studies. The simulation was performed on the musculoskeletal models with and without PCL deficiency using a novel force-dependent kinematics method under gait- and squat-loading conditions, followed by probabilistic analysis for material uncertain to be considered. Results Comparison of predicted passive flexion, posterior drawer kinematics and muscle activation with experimental measurements showed good agreement. Forces of the posterolateral corner structure, and TF and PF contact forces increased with PCL deficiency under gait- and squat-loading conditions. The rate of increase in PF contact force was the greatest during the squat-loading condition. The TF contact forces increased on both medial and lateral compartments during gait-loading conditions. However, during the squat-loading condition, the medial TF contact force tended to increase, while the lateral TF contact forces decreased. The posterolateral corner structure, which showed the greatest increase in force with deficiency of PCL under both gait- and squat-loading conditions, was the popliteus tendon (PT). Conclusion PCL deficiency is a factor affecting the variability of force on the PT in dynamic-loading conditions, and it could lead to degeneration of the PF joint. Cite this article: K-T. Kang, Y-G. Koh, M. Jung, J-H. Nam, J. Son, Y.H. Lee, S-J. Kim, S-H. Kim. The effects of posterior cruciate ligament deficiency on posterolateral corner structures under gait- and squat-loading conditions: A computational knee model. Bone Joint Res 2017;6:31–42. DOI: 10.1302/2046-3758.61.BJR-2016-0184.R1. PMID:28077395

LightForce Photon-Pressure Collision Avoidance: Updated Efficiency Analysis Utilizing a Highly Parallel Simulation Approach

NASA Technical Reports Server (NTRS)

Stupl, Jan; Faber, Nicolas; Foster, Cyrus; Yang, Fan Yang; Nelson, Bron; Aziz, Jonathan; Nuttall, Andrew; Henze, Chris; Levit, Creon

2014-01-01

This paper provides an updated efficiency analysis of the LightForce space debris collision avoidance scheme. LightForce aims to prevent collisions on warning by utilizing photon pressure from ground based, commercial off the shelf lasers. Past research has shown that a few ground-based systems consisting of 10 kilowatt class lasers directed by 1.5 meter telescopes with adaptive optics could lower the expected number of collisions in Low Earth Orbit (LEO) by an order of magnitude. Our simulation approach utilizes the entire Two Line Element (TLE) catalogue in LEO for a given day as initial input. Least-squares fitting of a TLE time series is used for an improved orbit estimate. We then calculate the probability of collision for all LEO objects in the catalogue for a time step of the simulation. The conjunctions that exceed a threshold probability of collision are then engaged by a simulated network of laser ground stations. After those engagements, the perturbed orbits are used to re-assess the probability of collision and evaluate the efficiency of the system. This paper describes new simulations with three updated aspects: 1) By utilizing a highly parallel simulation approach employing hundreds of processors, we have extended our analysis to a much broader dataset. The simulation time is extended to one year. 2) We analyze not only the efficiency of LightForce on conjunctions that naturally occur, but also take into account conjunctions caused by orbit perturbations due to LightForce engagements. 3) We use a new simulation approach that is regularly updating the LightForce engagement strategy, as it would be during actual operations. In this paper we present our simulation approach to parallelize the efficiency analysis, its computational performance and the resulting expected efficiency of the LightForce collision avoidance system. Results indicate that utilizing a network of four LightForce stations with 20 kilowatt lasers, 85% of all conjunctions with a probability of collision Pc > 10 (sup -6) can be mitigated.

Computational stability of human knee joint at early stance in Gait: Effects of muscle coactivity and anterior cruciate ligament deficiency.

PubMed

Sharifi, M; Shirazi-Adl, A; Marouane, H

2017-10-03

As one of the most complex and vulnerable structures of body, the human knee joint should maintain dynamic equilibrium and stability in occupational and recreational activities. The evaluation of its stability and factors affecting it is vital in performance evaluation/enhancement, injury prevention and treatment managements. Knee stability often manifests itself by pain, hypermobility and giving-way sensations and is usually assessed by the passive joint laxity tests. Mechanical stability of both the human knee joint and the lower extremity at early stance periods of gait (0% and 5%) were quantified here for the first time using a hybrid musculoskeletal model of the lower extremity. The roles of muscle coactivity, simulated by setting minimum muscle activation at 0-10% levels and ACL deficiency, simulated by reducing ACL resistance by up to 85%, on the stability margin as well as joint biomechanics (contact/muscle/ligament forces) were investigated. Dynamic stability was analyzed using both linear buckling and perturbation approaches at the final deformed configurations in gait. The knee joint was much more stable at 0% stance than at 5% due to smaller ground reaction and contact forces. Muscle coactivity, when at lower intensities (<3% of its maximum active force), increased dynamic stability margin. Greater minimum activation levels, however, acted asan ineffective strategy to enhance stability. Coactivation also substantially increased muscle forces, joint loads and ACL force and hence the risk of further injury and degeneration. A deficiency in ACL decreases total ACL force (by 31% at 85% reduced stiffness) and the stability margin of the knee joint at the heel strike. It also markedly diminishes forces in lateral hamstrings (by up to 39%) and contact forces on the lateral plateau (by up to 17%). Current work emphasizes the need for quantification of the lower extremity stability margin in gait. Copyright © 2017 Elsevier Ltd. All rights reserved.

Anterior deltoid deficiency in reverse total shoulder replacement: a biomechanical study with cadavers.

PubMed

Gulotta, L V; Choi, D; Marinello, P; Wright, T; Cordasco, F A; Craig, E V; Warren, R F

2012-12-01

Reverse total shoulder replacement (RTSR) depends on adequate deltoid function for a successful outcome. However, the anterior deltoid and/or axillary nerve may be damaged due to prior procedures or injury. The purpose of this study was to determine the compensatory muscle forces required for scapular plane elevation following RTSR when the anterior deltoid is deficient. The soft tissues were removed from six cadaver shoulders, except for tendon attachments. After implantation of the RTSR, the shoulders were mounted on a custom-made shoulder simulator to determine the mean force in each muscle required to achieve 30° and 60° of scapular plane elevation. Two conditions were tested: 1) Control with an absent supraspinatus and infraspinatus; and 2) Control with anterior deltoid deficiency. Anterior deltoid deficiency resulted in a mean increase of 195% in subscapularis force at 30° when compared with the control (p = 0.02). At 60°, the subscapularis force increased a mean of 82% (p < 0.001) and the middle deltoid force increased a mean of 26% (p = 0.04). Scapular plane elevation may still be possible following an RTSR in the setting of anterior deltoid deficiency. When the anterior deltoid is deficient, there is a compensatory increase in the force required by the subscapularis and middle deltoid. Attempts to preserve the subscapularis, if present, might maximise post-operative function.

Directional constraint of endpoint force emerges from hindlimb anatomy.

PubMed

Bunderson, Nathan E; McKay, J Lucas; Ting, Lena H; Burkholder, Thomas J

2010-06-15

Postural control requires the coordination of force production at the limb endpoints to apply an appropriate force to the body. Subjected to horizontal plane perturbations, quadruped limbs stereotypically produce force constrained along a line that passes near the center of mass. This phenomenon, referred to as the force constraint strategy, may reflect mechanical constraints on the limb or body, a specific neural control strategy or an interaction among neural controls and mechanical constraints. We used a neuromuscular model of the cat hindlimb to test the hypothesis that the anatomical constraints restrict the mechanical action of individual muscles during stance and constrain the response to perturbations to a line independent of perturbation direction. In a linearized neuromuscular model of the cat hindlimb, muscle lengthening directions were highly conserved across 10,000 different muscle activation patterns, each of which produced an identical, stance-like endpoint force. These lengthening directions were closely aligned with the sagittal plane and reveal an anatomical structure for directionally constrained force responses. Each of the 10,000 activation patterns was predicted to produce stable stance based on Lyapunov stability analysis. In forward simulations of the nonlinear, seven degree of freedom model under the action of 200 random muscle activation patterns, displacement of the endpoint from its equilibrium position produced restoring forces, which were also biased toward the sagittal plane. The single exception was an activation pattern based on minimum muscle stress optimization, which produced destabilizing force responses in some perturbation directions. The sagittal force constraint increased during simulations as the system shifted from an inertial response during the acceleration phase to a viscoelastic response as peak velocity was obtained. These results qualitatively match similar experimental observations and suggest that the force constraint phenomenon may result from the anatomical arrangement of the limb.

Directional constraint of endpoint force emerges from hindlimb anatomy

PubMed Central

Bunderson, Nathan E.; McKay, J. Lucas; Ting, Lena H.; Burkholder, Thomas J.

2010-01-01

Postural control requires the coordination of force production at the limb endpoints to apply an appropriate force to the body. Subjected to horizontal plane perturbations, quadruped limbs stereotypically produce force constrained along a line that passes near the center of mass. This phenomenon, referred to as the force constraint strategy, may reflect mechanical constraints on the limb or body, a specific neural control strategy or an interaction among neural controls and mechanical constraints. We used a neuromuscular model of the cat hindlimb to test the hypothesis that the anatomical constraints restrict the mechanical action of individual muscles during stance and constrain the response to perturbations to a line independent of perturbation direction. In a linearized neuromuscular model of the cat hindlimb, muscle lengthening directions were highly conserved across 10,000 different muscle activation patterns, each of which produced an identical, stance-like endpoint force. These lengthening directions were closely aligned with the sagittal plane and reveal an anatomical structure for directionally constrained force responses. Each of the 10,000 activation patterns was predicted to produce stable stance based on Lyapunov stability analysis. In forward simulations of the nonlinear, seven degree of freedom model under the action of 200 random muscle activation patterns, displacement of the endpoint from its equilibrium position produced restoring forces, which were also biased toward the sagittal plane. The single exception was an activation pattern based on minimum muscle stress optimization, which produced destabilizing force responses in some perturbation directions. The sagittal force constraint increased during simulations as the system shifted from an inertial response during the acceleration phase to a viscoelastic response as peak velocity was obtained. These results qualitatively match similar experimental observations and suggest that the force constraint phenomenon may result from the anatomical arrangement of the limb. PMID:20511528

Mission Assignment Model and Simulation Tool for Different Types of Unmanned Aerial Vehicles

DTIC Science & Technology

2008-09-01

TABLE OF ABBREVIATIONS AND ACRONYMS AAA Anti Aircraft Artillery ATO Air Tasking Order BDA Battle Damage Assessment DES Discrete Event Simulation...clock is advanced in small, fixed time steps. Since the value of simulated time is important in DES , an internal variable, called as simulation clock...VEHICLES Yücel Alver Captain, Turkish Air Force B.S., Turkish Air Force Academy, 2000 Murat Özdoğan 1st Lieutenant, Turkish Air Force B.S., Turkish

Numerical simulations of internal wave generation by convection in water.

PubMed

Lecoanet, Daniel; Le Bars, Michael; Burns, Keaton J; Vasil, Geoffrey M; Brown, Benjamin P; Quataert, Eliot; Oishi, Jeffrey S

2015-06-01

Water's density maximum at 4°C makes it well suited to study internal gravity wave excitation by convection: an increasing temperature profile is unstable to convection below 4°C, but stably stratified above 4°C. We present numerical simulations of a waterlike fluid near its density maximum in a two-dimensional domain. We successfully model the damping of waves in the simulations using linear theory, provided we do not take the weak damping limit typically used in the literature. To isolate the physical mechanism exciting internal waves, we use the spectral code dedalus to run several simplified model simulations of our more detailed simulation. We use data from the full simulation as source terms in two simplified models of internal-wave excitation by convection: bulk excitation by convective Reynolds stresses, and interface forcing via the mechanical oscillator effect. We find excellent agreement between the waves generated in the full simulation and the simplified simulation implementing the bulk excitation mechanism. The interface forcing simulations overexcite high-frequency waves because they assume the excitation is by the "impulsive" penetration of plumes, which spreads energy to high frequencies. However, we find that the real excitation is instead by the "sweeping" motion of plumes parallel to the interface. Our results imply that the bulk excitation mechanism is a very accurate heuristic for internal-wave generation by convection.

Quadriceps force during knee extension in different replacement scenarios with a modular partial prosthesis.

PubMed

Calliess, Tilman; Schado, Ssuheib; Richter, Berna I; Becher, Christoph; Ezechieli, Marco; Ostermeier, Sven

2014-02-01

Previous biomechanical studies have shown that bi-cruciate retaining knee replacement does not significantly alter normal knee kinematics, however, there are no data on the influence of a combined medial and patellofemoral bi-compartimental arthroplasty. The purpose of this in vitro study was to evaluate the effect of different replacement scenarios with a modular partial knee replacement system on the amount of quadriceps force required to extend the knee during an isokinetic extension cycle. Ten human knee specimens were tested in a kinematic knee simulator under (1) physiologic condition and after subsequent implantation of (2) a medial unicondylar and (3) a trochlear replacement. An isokinetic extension cycle of the knee with a constant extension moment of 31 Nm was simulated. The resulting quadriceps extension force was measured from 120° to full knee extension. The quadriceps force curve described a typically sinusoidal characteristic before and after each replacement scenario. The isolated medial replacement resulted in a slightly, but significantly higher maximum quadriceps force (1510 N vs. 1585 N, P = 0.006) as well as the subsequent trochlear replacement showed an additional increase (1801 N, P = 0.008). However, for both replacements no significant difference to the untreated condition could be detected in mid-flexion (10-50°). When considering a bi-compartimental replacement an increase of required maximum quadriceps force needed to extend the knee has to keep in mind. However, the close to physiological movement in mid-flexion suggests that patients with a bi-crutiate retaining arthroplasty might have an advantage in knee stability compared to total knee arthroplasty. Copyright © 2013 Elsevier Ltd. All rights reserved.

Training Surgical Residents With a Haptic Robotic Central Venous Catheterization Simulator.

PubMed

Pepley, David F; Gordon, Adam B; Yovanoff, Mary A; Mirkin, Katelin A; Miller, Scarlett R; Han, David C; Moore, Jason Z

Ultrasound guided central venous catheterization (CVC) is a common surgical procedure with complication rates ranging from 5 to 21 percent. Training is typically performed using manikins that do not simulate anatomical variations such as obesity and abnormal vessel positioning. The goal of this study was to develop and validate the effectiveness of a new virtual reality and force haptic based simulation platform for CVC of the right internal jugular vein. A CVC simulation platform was developed using a haptic robotic arm, 3D position tracker, and computer visualization. The haptic robotic arm simulated needle insertion force that was based on cadaver experiments. The 3D position tracker was used as a mock ultrasound device with realistic visualization on a computer screen. Upon completion of a practice simulation, performance feedback is given to the user through a graphical user interface including scoring factors based on good CVC practice. The effectiveness of the system was evaluated by training 13 first year surgical residents using the virtual reality haptic based training system over a 3 month period. The participants' performance increased from 52% to 96% on the baseline training scenario, approaching the average score of an expert surgeon: 98%. This also resulted in improvement in positive CVC practices including a 61% decrease between final needle tip position and vein center, a decrease in mean insertion attempts from 1.92 to 1.23, and a 12% increase in time spent aspirating the syringe throughout the procedure. A virtual reality haptic robotic simulator for CVC was successfully developed. Surgical residents training on the simulation improved to near expert levels after three robotic training sessions. This suggests that this system could act as an effective training device for CVC. Copyright © 2017 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

Discontinuous hindcast simulations of estuarine bathymetric change: A case study from Suisun Bay, California

USGS Publications Warehouse

Ganju, Neil K.; Jaffe, Bruce E.; Schoellhamer, David H.

2011-01-01

Simulations of estuarine bathymetric change over decadal timescales require methods for idealization and reduction of forcing data and boundary conditions. Continuous simulations are hampered by computational and data limitations and results are rarely evaluated with observed bathymetric change data. Bathymetric change data for Suisun Bay, California span the 1867–1990 period with five bathymetric surveys during that period. The four periods of bathymetric change were modeled using a coupled hydrodynamic-sediment transport model operated at the tidal-timescale. The efficacy of idealization techniques was investigated by discontinuously simulating the four periods. The 1867–1887 period, used for calibration of wave energy and sediment parameters, was modeled with an average error of 37% while the remaining periods were modeled with error ranging from 23% to 121%. Variation in post-calibration performance is attributed to temporally variable sediment parameters and lack of bathymetric and configuration data for portions of Suisun Bay and the Delta. Modifying seaward sediment delivery and bed composition resulted in large performance increases for post-calibration periods suggesting that continuous simulation with constant parameters is unrealistic. Idealization techniques which accelerate morphological change should therefore be used with caution in estuaries where parameters may change on sub-decadal timescales. This study highlights the utility and shortcomings of estuarine geomorphic models for estimating past changes in forcing mechanisms such as sediment supply and bed composition. The results further stress the inherent difficulty of simulating estuarine changes over decadal timescales due to changes in configuration, benthic composition, and anthropogenic forcing such as dredging and channelization.

WRF nested large-eddy simulations of deep convection during SEAC4RS

NASA Astrophysics Data System (ADS)

Heath, Nicholas K.; Fuelberg, Henry E.; Tanelli, Simone; Turk, F. Joseph; Lawson, R. Paul; Woods, Sarah; Freeman, Sean

2017-04-01

Large-eddy simulations (LES) and observations are often combined to increase our understanding and improve the simulation of deep convection. This study evaluates a nested LES method that uses the Weather Research and Forecasting (WRF) model and, specifically, tests whether the nested LES approach is useful for studying deep convection during a real-world case. The method was applied on 2 September 2013, a day of continental convection that occurred during the Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) campaign. Mesoscale WRF output (1.35 km grid length) was used to drive a nested LES with 450 m grid spacing, which then drove a 150 m domain. Results reveal that the 450 m nested LES reasonably simulates observed reflectivity distributions and aircraft-observed in-cloud vertical velocities during the study period. However, when examining convective updrafts, reducing the grid spacing to 150 m worsened results. We find that the simulated updrafts in the 150 m run become too diluted by entrainment, thereby generating updrafts that are weaker than observed. Lastly, the 450 m simulation is combined with observations to study the processes forcing strong midlevel cloud/updraft edge downdrafts that were observed on 2 September. Results suggest that these strong downdrafts are forced by evaporative cooling due to mixing and by perturbation pressure forces acting to restore mass continuity around neighboring updrafts. We conclude that the WRF nested LES approach, with further development and evaluation, could potentially provide an effective method for studying deep convection in real-world cases.

State-dependent climate sensitivity in past warm climates and its implications for future climate projections

PubMed Central

Caballero, Rodrigo; Huber, Matthew

2013-01-01

Projections of future climate depend critically on refined estimates of climate sensitivity. Recent progress in temperature proxies dramatically increases the magnitude of warming reconstructed from early Paleogene greenhouse climates and demands a close examination of the forcing and feedback mechanisms that maintained this warmth and the broad dynamic range that these paleoclimate records attest to. Here, we show that several complementary resolutions to these questions are possible in the context of model simulations using modern and early Paleogene configurations. We find that (i) changes in boundary conditions representative of slow “Earth system” feedbacks play an important role in maintaining elevated early Paleogene temperatures, (ii) radiative forcing by carbon dioxide deviates significantly from pure logarithmic behavior at concentrations relevant for simulation of the early Paleogene, and (iii) fast or “Charney” climate sensitivity in this model increases sharply as the climate warms. Thus, increased forcing and increased slow and fast sensitivity can all play a substantial role in maintaining early Paleogene warmth. This poses an equifinality problem: The same climate can be maintained by a different mix of these ingredients; however, at present, the mix cannot be constrained directly from climate proxy data. The implications of strongly state-dependent fast sensitivity reach far beyond the early Paleogene. The study of past warm climates may not narrow uncertainty in future climate projections in coming centuries because fast climate sensitivity may itself be state-dependent, but proxies and models are both consistent with significant increases in fast sensitivity with increasing temperature. PMID:23918397

The Influence of Body Mass Index, Sex, & Muscle Activation on Pressure Distribution During Lateral Falls on the Hip.

PubMed

Pretty, Steven P; Martel, Daniel R; Laing, Andrew C

2017-12-01

Hip fracture incidence rates are influenced by body mass index (BMI) and sex, likely through mechanistic pathways that influence dynamics of the pelvis-femur system during fall-related impacts. The goal of this study was to extend our understanding of these impact dynamics by investigating the effects of BMI, sex, and local muscle activation on pressure distribution over the hip region during lateral impacts. Twenty participants underwent "pelvis-release experiments" (which simulate a lateral fall onto the hip), including muscle-'relaxed' and 'contracted' trials. Males and low-BMI individuals exhibited 44 and 55% greater peak pressure, as well as 66 and 56% lower peripheral hip force, compared to females and high-BMI individuals, respectively. Local muscle activation increased peak force by 10%, contact area by 17%, and peripheral hip force by 11% compared to relaxed trials. In summary, males and low-BMI individuals exhibited more concentrated loading over the greater trochanter. Muscle activation increased peak force, but this force was distributed over a larger area, preventing increased localized loading over the greater trochanter. These findings suggest potential value in incorporating sex, gender, and muscle activation-specific force distributions as inputs into computational tissue-level models, and have implications for the design of personalized protective devices including wearable hip protectors.

Unstable force analysis for induction motor eccentricity

NASA Astrophysics Data System (ADS)

Han, Xu; Palazzolo, Alan

2016-05-01

The increasing popularity of motors in machinery trains has led to an intensified interest in the forces they produce that may influence machinery vibration. Motor design typically assumes a uniform air gap, however in practice all motors operate with the rotor slightly displaced from the motor centerline in what is referred to as an eccentric position. Rotor center eccentricity can cause a radially unbalanced magnetic field when the motor is operating. This will results in both a radial force pulling the motor further away from the center, and a tangential force which can induce a vibration stability problem. In this paper, a magnetic equivalent circuit MEC modeling method is proposed to calculate both the radial and tangential motor eccentric force. The treatment of tangential force determination is rarely addressed, but it is very important for rotordynamic vibration stability evaluation. The proposed model is also coupled with the motor electric circuit model to provide capability for transient vibration simulations. FEM is used to verify the MEC model. A parametric study is performed on the motor radial and tangential eccentric forces. Also a Jeffcott rotor model is used to study the influence of the motor eccentric force on mechanical vibration stability and nonlinear behavior. Furthermore, a stability criteria for the bearing damping is provided. The motor radial and tangential eccentric forces are both curved fitted to include their nonlinearity in time domain transient simulation for both a Jeffcott rotor model and a geared machinery train with coupled torsional-lateral motion. Nonlinear motions are observed, including limit cycles and bifurcation induced vibration amplitude jumps.

Optimizing Muscle Parameters in Musculoskeletal Modeling Using Monte Carlo Simulations

NASA Technical Reports Server (NTRS)

Hanson, Andrea; Reed, Erik; Cavanagh, Peter

2011-01-01

Astronauts assigned to long-duration missions experience bone and muscle atrophy in the lower limbs. The use of musculoskeletal simulation software has become a useful tool for modeling joint and muscle forces during human activity in reduced gravity as access to direct experimentation is limited. Knowledge of muscle and joint loads can better inform the design of exercise protocols and exercise countermeasure equipment. In this study, the LifeModeler(TM) (San Clemente, CA) biomechanics simulation software was used to model a squat exercise. The initial model using default parameters yielded physiologically reasonable hip-joint forces. However, no activation was predicted in some large muscles such as rectus femoris, which have been shown to be active in 1-g performance of the activity. Parametric testing was conducted using Monte Carlo methods and combinatorial reduction to find a muscle parameter set that more closely matched physiologically observed activation patterns during the squat exercise. Peak hip joint force using the default parameters was 2.96 times body weight (BW) and increased to 3.21 BW in an optimized, feature-selected test case. The rectus femoris was predicted to peak at 60.1% activation following muscle recruitment optimization, compared to 19.2% activation with default parameters. These results indicate the critical role that muscle parameters play in joint force estimation and the need for exploration of the solution space to achieve physiologically realistic muscle activation.

Strong impacts on aerosol indirect effects from historical oxidant changes

NASA Astrophysics Data System (ADS)

Hafsahl Karset, Inger Helene; Koren Berntsen, Terje; Storelvmo, Trude; Alterskjær, Kari; Grini, Alf; Olivié, Dirk; Kirkevåg, Alf; Seland, Øyvind; Iversen, Trond; Schulz, Michael

2018-06-01

Uncertainties in effective radiative forcings through aerosol-cloud interactions (ERFaci, also called aerosol indirect effects) contribute strongly to the uncertainty in the total preindustrial-to-present-day anthropogenic forcing. Some forcing estimates of the total aerosol indirect effect are so negative that they even offset the greenhouse gas forcing. This study highlights the role of oxidants in modeling of preindustrial-to-present-day aerosol indirect effects. We argue that the aerosol precursor gases should be exposed to oxidants of its era to get a more correct representation of secondary aerosol formation. Our model simulations show that the total aerosol indirect effect changes from -1.32 to -1.07 W m-2 when the precursor gases in the preindustrial simulation are exposed to preindustrial instead of present-day oxidants. This happens because of a brightening of the clouds in the preindustrial simulation, mainly due to large changes in the nitrate radical (NO3). The weaker oxidative power of the preindustrial atmosphere extends the lifetime of the precursor gases, enabling them to be transported higher up in the atmosphere and towards more remote areas where the susceptibility of the cloud albedo to aerosol changes is high. The oxidation changes also shift the importance of different chemical reactions and produce more condensate, thus increasing the size of the aerosols and making it easier for them to activate as cloud condensation nuclei.

A Kirkwood-Buff derived force field for alkaline earth halide salts

NASA Astrophysics Data System (ADS)

Naleem, Nawavi; Bentenitis, Nikolaos; Smith, Paul E.

2018-06-01

The activity and function of many macromolecules in cellular environments are coupled with the binding of divalent ions such as calcium or magnesium. In principle, computer simulations can be used to understand the molecular level aspects of how many important macromolecules interact with ions. However, most of the force fields currently available often fail to accurately reproduce the properties of divalent ions in aqueous environments. Here we develop classical non-polarizable force fields for the aqueous alkaline earth metal halides (MX2), where M = Mg2+, Ca2+, Sr2+, Ba2+ and X = Cl-, Br-, I-, which can be used in bimolecular simulations and which are compatible with the Simple Point Charge/Extended (SPC/E) water model. The force field parameters are specifically developed to reproduce the experimental Kirkwood-Buff integrals for aqueous solutions and thereby the experimental activity derivatives, partial molar volumes, and excess coordination numbers. This ensures that a reasonable balance between ion-ion, ion-water, and water-water distributions is obtained. However, this requires a scaling of the cation to water oxygen interaction strength in order to accurately reproduce the integrals. The scaling factors developed for chloride salts are successfully transferable to the bromide and iodide salts. Use of these new models leads to reasonable diffusion constants and dielectric decrements. However, the performance of the models decreases with increasing salt concentration (>4m), and simulations of the pure crystals exhibited unstable behavior.

A Kirkwood-Buff derived force field for alkaline earth halide salts.

PubMed

Naleem, Nawavi; Bentenitis, Nikolaos; Smith, Paul E

2018-06-14

The activity and function of many macromolecules in cellular environments are coupled with the binding of divalent ions such as calcium or magnesium. In principle, computer simulations can be used to understand the molecular level aspects of how many important macromolecules interact with ions. However, most of the force fields currently available often fail to accurately reproduce the properties of divalent ions in aqueous environments. Here we develop classical non-polarizable force fields for the aqueous alkaline earth metal halides (MX 2 ), where M = Mg 2+ , Ca 2+ , Sr 2+ , Ba 2+ and X = Cl - , Br - , I - , which can be used in bimolecular simulations and which are compatible with the Simple Point Charge/Extended (SPC/E) water model. The force field parameters are specifically developed to reproduce the experimental Kirkwood-Buff integrals for aqueous solutions and thereby the experimental activity derivatives, partial molar volumes, and excess coordination numbers. This ensures that a reasonable balance between ion-ion, ion-water, and water-water distributions is obtained. However, this requires a scaling of the cation to water oxygen interaction strength in order to accurately reproduce the integrals. The scaling factors developed for chloride salts are successfully transferable to the bromide and iodide salts. Use of these new models leads to reasonable diffusion constants and dielectric decrements. However, the performance of the models decreases with increasing salt concentration (>4m), and simulations of the pure crystals exhibited unstable behavior.

A Combined Experimental/Computational Study of Flow in Turbine Blade Cooling Passage

NASA Technical Reports Server (NTRS)

Tse, D. G. N.; Kreskovsky, J. P.; Shamroth, S. J.; Mcgrath, D. B.

1994-01-01

Laser velocimetry was utilized to map the velocity field in a serpentine turbine blade cooling passage at Reynolds and Rotation numbers of up to 25.000 and 0.48. These results were used to assess the combined influence of passage curvature and Coriolis force on the secondary velocity field generated. A Navier-Stokes code (NASTAR) was validated against incompressible test data and then used to simulate the effect of buoyancy. The measurements show a net convection from the low pressure surface to high pressure surface. The interaction of the secondary flows induced by the turns and rotation produces swirl at the turns, which persisted beyond 2 hydraulic diameters downstream of the turns. The incompressible flow field predictions agree well with the measured velocities. With radially outward flow, the buoyancy force causes a further increase in velocity on the high pressure surface and a reduction on the low pressure surface. The results were analyzed in relation to the heat transfer measurements of Wagner et al. (1991). Predicted heat transfer is enhanced on the high pressure surfaces and in turns. The incompressible flow simulation underpredicts heat transfer in these locations. Improvements observed in compressible flow simulation indicate that the buoyancy force may be important.

Modeling detour behavior of pedestrian dynamics under different conditions

NASA Astrophysics Data System (ADS)

Qu, Yunchao; Xiao, Yao; Wu, Jianjun; Tang, Tao; Gao, Ziyou

2018-02-01

Pedestrian simulation approach has been widely used to reveal the human behavior and evaluate the performance of crowd evacuation. In the existing pedestrian simulation models, the social force model is capable of predicting many collective phenomena. Detour behavior occurs in many cases, and the important behavior is a dominate factor of the crowd evacuation efficiency. However, limited attention has been attracted for analyzing and modeling the characteristics of detour behavior. In this paper, a modified social force model integrated by Voronoi diagram is proposed to calculate the detour direction and preferred velocity. Besides, with the consideration of locations and velocities of neighbor pedestrians, a Logit-based choice model is built to describe the detour direction choice. The proposed model is applied to analyze pedestrian dynamics in a corridor scenario with either unidirectional or bidirectional flow, and a building scenario in real-world. Simulation results show that the modified social force model including detour behavior could reduce the frequency of collision and deadlock, increase the average speed of the crowd, and predict more practical crowd dynamics with detour behavior. This model can also be potentially applied to understand the pedestrian dynamics and design emergent management strategies for crowd evacuations.

Adaptive accelerated ReaxFF reactive dynamics with validation from simulating hydrogen combustion.

PubMed

Cheng, Tao; Jaramillo-Botero, Andrés; Goddard, William A; Sun, Huai

2014-07-02

We develop here the methodology for dramatically accelerating the ReaxFF reactive force field based reactive molecular dynamics (RMD) simulations through use of the bond boost concept (BB), which we validate here for describing hydrogen combustion. The bond order, undercoordination, and overcoordination concepts of ReaxFF ensure that the BB correctly adapts to the instantaneous configurations in the reactive system to automatically identify the reactions appropriate to receive the bond boost. We refer to this as adaptive Accelerated ReaxFF Reactive Dynamics or aARRDyn. To validate the aARRDyn methodology, we determined the detailed sequence of reactions for hydrogen combustion with and without the BB. We validate that the kinetics and reaction mechanisms (that is the detailed sequences of reactive intermediates and their subsequent transformation to others) for H2 oxidation obtained from aARRDyn agrees well with the brute force reactive molecular dynamics (BF-RMD) at 2498 K. Using aARRDyn, we then extend our simulations to the whole range of combustion temperatures from ignition (798 K) to flame temperature (2998K), and demonstrate that, over this full temperature range, the reaction rates predicted by aARRDyn agree well with the BF-RMD values, extrapolated to lower temperatures. For the aARRDyn simulation at 798 K we find that the time period for half the H2 to form H2O product is ∼538 s, whereas the computational cost was just 1289 ps, a speed increase of ∼0.42 trillion (10(12)) over BF-RMD. In carrying out these RMD simulations we found that the ReaxFF-COH2008 version of the ReaxFF force field was not accurate for such intermediates as H3O. Consequently we reoptimized the fit to a quantum mechanics (QM) level, leading to the ReaxFF-OH2014 force field that was used in the simulations.

Spinal loads as influenced by external loads: a combined in vivo and in silico investigation.

PubMed

Zander, Thomas; Dreischarf, Marcel; Schmidt, Hendrik; Bergmann, Georg; Rohlmann, Antonius

2015-02-26

Knowledge of in vivo spinal loads and muscle forces remains limited but is necessary for spinal biomechanical research. To assess the in vivo spinal loads, measurements with telemeterised vertebral body replacements were performed in four patients. The following postures were investigated: (a) standing with arms hanging down on sides, (b) holding dumbbells to subject the patient to a vertical load, and (c) the forward elevation of arms for creating an additional flexion moment. The same postures were simulated by an inverse static model for validation purposes, to predict muscle forces, and to assess the spinal loads in subjects without implants. Holding dumbbells on sides increased implant forces by the magnitude of the weight of the dumbbells. In contrast, elevating the arms yielded considerable implant forces with a high correlation between the external flexion moment and the implant force. Predictions agreed well with experimental findings, especially for forward elevation of arms. Flexion moments were mainly compensated by erector spinae muscles. The implant altered the kinematics and, thus, the spinal loads. Elevation of both arms in vivo increased spinal axial forces by approximately 100N; each additional kg of dumbbell weight held in the hands increased the spinal axial forces by 60N. Model predictions suggest that in the intact situation, the force increase is one-third greater for these loads. In vivo measurements are essential for the validation of analytical models, and the combination of both methods can reveal unquantifiable data such as the spinal loads in the intact non-instrumented situation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Differentiating levels of surgical experience on a virtual reality temporal bone simulator.

PubMed

Zhao, Yi C; Kennedy, Gregor; Hall, Richard; O'Leary, Stephen

2010-11-01

Virtual reality simulation is increasingly being incorporated into surgical training and may have a role in temporal bone surgical education. Here we test whether metrics generated by a virtual reality surgical simulation can differentiate between three levels of experience, namely novices, otolaryngology residents, and experienced qualified surgeons. Cohort study. Royal Victorian Eye and Ear Hospital. Twenty-seven participants were recruited. There were 12 experts, six residents, and nine novices. After orientation, participants were asked to perform a modified radical mastoidectomy on the simulator. Comparisons of time taken, injury to structures, and forces exerted were made between the groups to determine which specific metrics would discriminate experience levels. Experts completed the simulated task in significantly shorter time than the other two groups (experts 22 minutes, residents 36 minutes, and novices 46 minutes; P = 0.001). Novices exerted significantly higher average forces when dissecting close to vital structures compared with experts (0.24 Newton [N] vs 0.13 N, P = 0.002). Novices were also more likely to injure structures such as dura compared to experts (23 injuries vs 3 injuries, P = 0.001). Compared with residents, the experts modulated their force between initial cortex dissection and dissection close to vital structures. Using the combination of these metrics, we were able to correctly classify the participants' level of experience 90 percent of the time. This preliminary study shows that measurements of performance obtained from within a virtual reality simulator can differentiate between levels of users' experience. These results suggest that simulator training may have a role in temporal bone training beyond foundational training. Copyright © 2010 American Academy of Otolaryngology–Head and Neck Surgery Foundation. Published by Mosby, Inc. All rights reserved.

Improved Pyrolysis Micro reactor Design via Computational Fluid Dynamics Simulations

DTIC Science & Technology

2017-05-23

Dynamics Simulations Ghanshyam L. Vaghjiani Air Force Research Laboratory (AFMC) AFRL/RQRS 1 Ara Drive Edwards AFB, CA 93524-7013 Air Force...Aerospace Systems Directorate Air Force Research Laboratory AFRL/RQRS 1 Ara Road Edwards AFB, CA 93524 *Email: ghanshyam.vaghjiani@us.af.mil IMPROVED...PYROLYSIS MICRO-REACTOR DESIGN VIA COMPUTATIONAL FLUID DYNAMICS SIMULATIONS Ghanshyam L. Vaghjiani* DISTRIBUTION A: Approved for public release

Force probe simulations of a reversibly rebinding system: Impact of pulling device stiffness

NASA Astrophysics Data System (ADS)

Jaschonek, Stefan; Diezemann, Gregor

2017-03-01

We present a detailed study of the parameter dependence of force probe molecular dynamics (FPMD) simulations. Using a well studied calix[4]arene catenane dimer as a model system, we systematically vary the pulling velocity and the stiffness of the applied external potential. This allows us to investigate how the results of pulling simulations operating in the constant velocity mode (force-ramp mode) depend on the details of the simulation setup. The system studied has the further advantage of showing reversible rebinding meaning that we can monitor the opening and the rebinding transition. Many models designed to extract kinetic information from rupture force distributions work in the limit of soft springs and all quantities are found to depend solely on the so-called loading rate, the product of spring stiffness and pulling velocity. This approximation is known to break down when stiff springs are used, a situation often encountered in molecular simulations. We find that while some quantities only depend on the loading rate, others show an explicit dependence on the spring constant used in the FPMD simulation. In particular, the force versus extension curves show an almost stiffness independent rupture force but the force jump after the rupture transition does depend roughly linearly on the value of the stiffness. The kinetic rates determined from the rupture force distributions show a dependence on the stiffness that can be understood in terms of the corresponding dependence of the characteristic forces alone. These dependencies can be understood qualitatively in terms of a harmonic model for the molecular free energy landscape. It appears that the pulling velocities employed are so large that the crossover from activated dynamics to diffusive dynamics takes place on the time scale of our simulations. We determine the effective distance of the free energy minima of the closed and the open configurations of the system from the barrier via an analysis of the hydrogen-bond network with results in accord with earlier simulations. We find that the system is quite brittle in the force regime monitored in the sense that the barrier is located near to the closed state.

A low-cost simulation platform for flapping wing MAVs

NASA Astrophysics Data System (ADS)

Kok, J. M.; Chahl, J. S.

2015-03-01

This paper describes the design of a flight simulator for analysing the systems level performance of a Dragonfly-Inspired Micro Air Vehicle (DIMAV). A quasi-steady blade element model is used to analyse the aerodynamic forces. Aerodynamic and environmental forces are then incorporated into a real world flight dynamics model to determine the dynamics of the DIMAV system. The paper also discusses the implementation of the flight simulator for analysing the manoeuvrability of a DIMAV, specifically several modes of flight commonly found in dragonflies. This includes take-off, roll turns and yaw turns. Our findings with the simulator are consistent with results from wind tunnel studies and slow motion cinematography of dragonflies. In the take-off mode of flight, we see a strong dependence of take-off accelerations with flapping frequency. An increase in wing-beat frequency of 10% causes the maximum vertical acceleration to increase by 2g which is similar to that of dragonflies in nature. For the roll and yaw modes of manoeuvring, asymmetrical inputs are applied between the left and right set of wings. The flapping amplitude is increased on the left pair of wings which causes a time averaged roll rate to the right of 1.76rad/s within two wing beats. In the yaw mode, the stroke plane angle is reduced in the left pair of wings to initiate the yaw manoeuvre. In two wing beats, the time averaged yaw rate is 2.54rad/s.

Why we shouldn't underestimate the impact of plant functional diversity

NASA Astrophysics Data System (ADS)

Groner, V.; Raddatz, T.; Reick, C. H.; Claussen, M.

2017-12-01

We present a series of coupled land-atmosphere simulations with different combinations of plant functional types (PFTs) from mid-Holocene to preindustrial to show how plant functional diversity affects simulated climate-vegetation interaction under changing environmental conditions in subtropical Africa. Scientists nowadays agree that the establishment of the ``green'' Sahara was triggered by external changes in the Earth's orbit and amplified by internal feedback mechanisms. The timing and abruptness of the transition to the ``desert'' state are in turn still under debate. While some previous studies indicated an abrupt collapse of vegetation implying a strong climate-vegetation feedback, others suggested a gradual vegetation decline thereby questioning the existence of a strong climate-vegetation feedback. However, none of these studies explicitly accounted for the role of plant diversity. We show that the introduction or removal of a single PFT can bring about significant impacts on the simulated climate-vegetation system response to changing orbital forcing. While simulations with the standard set of PFTs show a gradual decrease of precipitation and vegetation cover over time, the reduction of plant functional diversity can cause either an abrupt decline of both variables or an even slower response to the external forcing. PFT composition seems to be the decisive factor for the system response to external forcing, and an increase in plant functional diversity does not necessarily increase the stability of the climate-vegetation system. From this we conclude that accounting for plant functional diversity in future studies - not only on palaeo climates - could significantly improve the understanding of climate-vegetation interaction in semi-arid regions, the predictability of the vegetation response to changing climate, and respectively, of the resulting feedback on precipitation.

A sandwiched piezoelectric transducer with flex end-caps for energy harvesting in large force environments

NASA Astrophysics Data System (ADS)

Kuang, Yang; Daniels, Alice; Zhu, Meiling

2017-08-01

This paper presents a sandwiched piezoelectric transducer (SPT) for energy harvesting in large force environments with increased load capacity and electric power output. The SPT uses (1) flex end-caps to amplify the applied load force so as to increase its power output and (2) a sandwiched piezoelectric-substrate structure to reduce the stress concentration in the piezoelectric material so as to increase the load capacity. A coupled piezoelectric-circuit finite element model (CPC-FEM) was developed, which is able to directly predict the electric power output of the SPT connected to a load resistor. The CPC-FEM was used to study the effects of various parameters of the SPT on the performance to obtain an optimal design. These parameters included the substrate thickness, the end-cap material and thickness, the electrode length, the joint length, the end-cap internal angle and the PZT thickness. A prototype with optimised parameters was tested on a loading machine, and the experimental results were compared with simulation. A good agreement was observed between simulation and experiment. When subjected to a 1 kN 2 Hz sinusoidal force applied by the loading machine, the SPT produced an average power of 4.68 mW. The application of the SPT as a footwear energy harvester was demonstrated by fitting the SPT into a boot and performing the tests on a treadmill, and the SPT generated an average power of 2.5 mW at a walking speed of 4.8 km h-1.

Modelling highly deformable metal extrusion using SPH

NASA Astrophysics Data System (ADS)

Prakash, Mahesh; Cleary, Paul W.

2015-05-01

Computational modelling is often used to reduce trial extrusions through accurate defect prediction. Traditionally, metal extrusion is modelled using mesh based finite element methods. However, large plastic deformations can lead to heavy re-meshing and numerical diffusion. Here we use the mesh-less smoothed particle hydrodynamics method since it allows simulation of large deformations without re-meshing and the tracking of history dependent properties such as plastic strain making it suitable for defect prediction. The variation in plastic strain and deformation for aluminium alloy in a cylindrical 3D geometry with extrusion ratio and die angle is evaluated. The extrusion process is found to have three distinct phases consisting of an initial sharp rise in extrusion force, a steady phase requiring constant force and terminating in a sharp decline in force as metal is completely extruded. Deformation and plastic strain increased significantly with extrusion ratio but only moderately with die angle. Extrusion force increased by 150 % as the extrusion ratio increased from 2:1 to 4:1 but had only a marginal change with die angle. A low strain zone in the centre of the extruded product was found to be a function of extrusion ratio but was persistent and did not vary with die angle. Simulation of a complex 3D building industry component showed large variations in plastic strain along the length of the product at two scales. These were due to change in metal behaviour as extrusion progressed from phase 1 to phase 2. A stagnation zone at the back of the die was predicted that could lead to the "funnel" or "pipe" defect.

Impact of realistic future ice sheet discharge on the Atlantic ocean

NASA Astrophysics Data System (ADS)

van den Berk, Jelle

2015-04-01

Royal Netherlands Meteorological Institute, De Bilt, The Netherlands A high-end scenario of polar ice loss from the Greenland and Antarctic ice sheet is presented with separate projections for different mass-loss sites up to the year 2100. The resultant freshwater forcing is applied to a global climate model and the effects on sea-level rise are discussed. The simulations show strong sea level rise on the Antarctic continental shelves. To separate the effects of atmospheric warming and melt water we then ran four simulations. One without either forcing, one with both and two with one of each separately. Melt water leads to a slight additional depression of the Atlantic overturning circulation, but a strong decrease remains absent. The bulk of the strength reduction is due to higher atmospheric temperatures which inhibits deep water formation in the North Atlantic. The melt water freshens the upper layers of the ocean, but does not strongly impact buoyancy. The balance between North Atlantic Deep Water and Antarctic Bottom Water must then remain relatively unaffected. Only applying the melt water forcing to the Northern Hemisphere does not lead to a stronger effect. We conclude that the meltwater scenario only impacts the overturning circulation superficially because the deeper ocean is not affected. Transport through Bering Strait and across the zonal section at the latitude of Cape Agulhas is increased by increased atmospheric temperatures and adds some inertia to these transports. Reversing the atmospheric forcing bears this out when the transport then further increases. The freshwater, however, mitigates this inertia somewhat.

Force field development with GOMC, a fast new Monte Carlo molecular simulation code

NASA Astrophysics Data System (ADS)

Mick, Jason Richard

In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are also presented. To fit the models a quantitative fitting process is outlined using a scoring function and heat maps. The presented n-6 force fields include force fields for noble gases and branched alkanes. These force fields are shown to be the most accurate LJ or n-6 force fields to date for these compounds, capable of reproducing pure fluid behavior and binary mixture behavior to a high degree of accuracy.

Tropical storm interannual and interdecadal variability in an ensemble of GCM integrations

NASA Astrophysics Data System (ADS)

Vitart, Frederic Pol.

1999-11-01

A T42L18 Atmospheric General Circulation Model forced by observed SSTs has been integrated for 10 years with 9 different initial conditions. An objective procedure for tracking model-generated tropical storms has been applied to this ensemble. Statistical tools have been applied to the ensemble frequency, intensity and location of tropical storms, leading to the conclusion that the potential predictability is particularly strong over the western North Pacific, the eastern North Pacific and the western North Atlantic. An EOF analysis of local SSts and a combined EOF analysis of vertical wind shear, 200 mb and 850 mb vorticity indicate that the simulated tropical storm interannual variability is mostly constrained by the large scale circulation as in observations. The model simulates a realistic interannual variability of tropical storms over the western North Atlantic, eastern North Pacific, western North Pacific and Australian basin where the model simulates a realistic large scale circulation. Several experiments with the atmospheric GCM forced by imposed SSTs demonstrate that the GCM simulates a realistic impact of ENSO on the simulated Atlantic tropical storms. In addition the GCM simulates fewer tropical storms over the western North Atlantic with SSTs of the 1950s than with SSTs of the 1970s in agreement with observations. Tropical storms simulated with RAS and with MCA have been compared to evaluate their sensitivity to a change in cumulus parameterization. Composites of tropical storm structure indicate stronger tropical storms with higher warm cores with MCA. An experiment using the GFDL hurricane model and several theoretical calculations indicate that the mean state may be responsible for the difference in intensity and in the height of the warm core. With the RAS scheme, increasing the threshold which determines when convection can occur increases the tropical storm frequency almost linearly. The increase of tropical storm frequency seems to be linked to an increase of CAPE. Tropical storms predicted by a coupled model produce a strong cooling of SSTs and their intensity is lower than in the simulations. An ensemble of coupled GCM integrations displays some skill in forecasting the tropical storm frequency when starting on July 1st.

Thermodynamic forces in coarse-grained simulations

NASA Astrophysics Data System (ADS)

Noid, William

Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.

Global warming without global mean precipitation increase?

PubMed Central

Salzmann, Marc

2016-01-01

Global climate models simulate a robust increase of global mean precipitation of about 1.5 to 2% per kelvin surface warming in response to greenhouse gas (GHG) forcing. Here, it is shown that the sensitivity to aerosol cooling is robust as well, albeit roughly twice as large. This larger sensitivity is consistent with energy budget arguments. At the same time, it is still considerably lower than the 6.5 to 7% K−1 decrease of the water vapor concentration with cooling from anthropogenic aerosol because the water vapor radiative feedback lowers the hydrological sensitivity to anthropogenic forcings. When GHG and aerosol forcings are combined, the climate models with a realistic 20th century warming indicate that the global mean precipitation increase due to GHG warming has, until recently, been completely masked by aerosol drying. This explains the apparent lack of sensitivity of the global mean precipitation to the net global warming recently found in observations. As the importance of GHG warming increases in the future, a clear signal will emerge. PMID:27386558

Global warming without global mean precipitation increase?

PubMed

Salzmann, Marc

2016-06-01

Global climate models simulate a robust increase of global mean precipitation of about 1.5 to 2% per kelvin surface warming in response to greenhouse gas (GHG) forcing. Here, it is shown that the sensitivity to aerosol cooling is robust as well, albeit roughly twice as large. This larger sensitivity is consistent with energy budget arguments. At the same time, it is still considerably lower than the 6.5 to 7% K(-1) decrease of the water vapor concentration with cooling from anthropogenic aerosol because the water vapor radiative feedback lowers the hydrological sensitivity to anthropogenic forcings. When GHG and aerosol forcings are combined, the climate models with a realistic 20th century warming indicate that the global mean precipitation increase due to GHG warming has, until recently, been completely masked by aerosol drying. This explains the apparent lack of sensitivity of the global mean precipitation to the net global warming recently found in observations. As the importance of GHG warming increases in the future, a clear signal will emerge.

Dynamical diagnostics of the SST annual cycle in the eastern equatorial Pacific: Part II analysis of CMIP5 simulations

NASA Astrophysics Data System (ADS)

Chen, Ying-Ying; Jin, Fei-Fei

2017-12-01

In this study, a simple coupled framework established in Part I is utilized to investigate inter-model diversity in simulating the equatorial Pacific SST annual cycle (SSTAC). It demonstrates that the simulated amplitude and phase characteristics of SSTAC in models are controlled by two internal dynamical factors (the damping rate and phase speed) and two external forcing factors (the strength of the annual and semi-annual harmonic forcing). These four diagnostic factors are further condensed into a dynamical response factor and a forcing factor to derive theoretical solutions of amplitude and phase of SSTAC. The theoretical solutions are in remarkable agreement with observations and CMIP5 simulations. The great diversity in the simulated SSTACs is related to the spreads in these dynamic and forcing factors. Most models tend to simulate a weak SSTAC, due to their weak damping rate and annual harmonic forcing. The latter is due to bias in the meridional asymmetry of the annual mean state of the tropical Pacific, represented by the weak cross-equatorial winds in the cold tongue region.

Simulated Hydrologic Responses to Climate Variations and Change in the Merced, Carson, and American River Basins, Sierra Nevada, California, 1900-2099

NASA Astrophysics Data System (ADS)

Dettinger, M. D.; Cayan, D. R.; Cayan, D. R.; Meyer, M. K.

2001-12-01

Sensitivities of river basins in the Sierra Nevada of California to historical and future climate variations and changes are analyzed by simulating daily streamflow and water-balance responses to simulated climate variations over a continuous 200-year period. The coupled atmosphere-ocean-ice-land Parallel Climate Model provides the simulated climate histories, and existing hydrologic models of the Merced, Carson, and American Rivers are used to simulate the basin responses. The historical simulations yield stationary climate and hydrologic variations through the first part of the 20th Century until about 1975, when temperatures begin to warm noticeably and when snowmelt and streamflow peaks begin to occur progressively earlier within the seasonal cycle. A future climate simulated with business-as-usual increases in greenhouse-gas and aerosol radiative forcings continues those recent trends through the 21st Century with an attendant +2.5ºC warming and a hastening of snowmelt and streamflow within the seasonal cycle by almost a month. In contrast, a control simulation in which radiative forcings are held constant at 1995 levels for the 50 years following 1995, yields climate and streamflow-timing conditions much like the 1980s and 1990s throughout its duration. Long-term average totals of streamflow and other hydrologic fluxes remain similar to the historical mean in all three simulations. The various projected trends in the business-as-usual simulations become readily visible above simulated natural climatic and hydrologic variability by about 2020.

Force generation by titin folding.

PubMed

Mártonfalvi, Zsolt; Bianco, Pasquale; Naftz, Katalin; Ferenczy, György G; Kellermayer, Miklós

2017-07-01

Titin is a giant protein that provides elasticity to muscle. As the sarcomere is stretched, titin extends hierarchically according to the mechanics of its segments. Whether titin's globular domains unfold during this process and how such unfolded domains might contribute to muscle contractility are strongly debated. To explore the force-dependent folding mechanisms, here we manipulated skeletal-muscle titin molecules with high-resolution optical tweezers. In force-clamp mode, after quenching the force (<10 pN), extension fluctuated without resolvable discrete events. In position-clamp experiments, the time-dependent force trace contained rapid fluctuations and a gradual increase of average force, indicating that titin can develop force via dynamic transitions between its structural states en route to the native conformation. In 4 M urea, which destabilizes H-bonds hence the consolidated native domain structure, the net force increase disappeared but the fluctuations persisted. Thus, whereas net force generation is caused by the ensemble folding of the elastically-coupled domains, force fluctuations arise due to a dynamic equilibrium between unfolded and molten-globule states. Monte-Carlo simulations incorporating a compact molten-globule intermediate in the folding landscape recovered all features of our nanomechanics results. The ensemble molten-globule dynamics delivers significant added contractility that may assist sarcomere mechanics, and it may reduce the dissipative energy loss associated with titin unfolding/refolding during muscle contraction/relaxation cycles. © 2017 The Protein Society.

Effect of lateral offset center of rotation in reverse total shoulder arthroplasty: a biomechanical study.

PubMed

Henninger, Heath B; Barg, Alexej; Anderson, Andrew E; Bachus, Kent N; Burks, Robert T; Tashjian, Robert Z

2012-09-01

Lateral offset center of rotation (COR) reduces the incidence of scapular notching and potentially increases external rotation range of motion (ROM) after reverse total shoulder arthroplasty (rTSA). The purpose of this study was to determine the biomechanical effects of changing COR on abduction and external rotation ROM, deltoid abduction force, and joint stability. A biomechanical shoulder simulator tested cadaveric shoulders before and after rTSA. Spacers shifted the COR laterally from baseline rTSA by 5, 10, and 15 mm. Outcome measures of resting abduction and external rotation ROM, and abduction and dislocation (lateral and anterior) forces were recorded. Resting abduction increased 20° vs native shoulders and was unaffected by COR lateralization. External rotation decreased after rTSA and was unaffected by COR lateralization. The deltoid force required for abduction significantly decreased 25% from native to baseline rTSA. COR lateralization progressively eliminated this mechanical advantage. Lateral dislocation required significantly less force than anterior dislocation after rTSA, and both dislocation forces increased with lateralization of the COR. COR lateralization had no influence on ROM (adduction or external rotation) but significantly increased abduction and dislocation forces. This suggests the lower incidence of scapular notching may not be related to the amount of adduction deficit after lateral offset rTSA but may arise from limited impingement of the humeral component on the lateral scapula due to a change in joint geometry. Lateralization provides the benefit of increased joint stability, but at the cost of increasing deltoid abduction forces. Copyright © 2012 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Mosby, Inc. All rights reserved.

Turbine Powered Simulator Calibration and Testing for Hybrid Wing Body Powered Airframe Integration

NASA Technical Reports Server (NTRS)

Shea, Patrick R.; Flamm, Jeffrey D.; Long, Kurtis R.; James, Kevin D.; Tompkins, Daniel M.; Beyar, Michael D.

2016-01-01

Propulsion airframe integration testing on a 5.75% scale hybrid wing body model us- ing turbine powered simulators was completed at the National Full-Scale Aerodynamics Complex 40- by 80-foot test section. Four rear control surface con gurations including a no control surface de ection con guration were tested with the turbine powered simulator units to investigate how the jet exhaust in uenced the control surface performance as re- lated to the resultant forces and moments on the model. Compared to ow-through nacelle testing on the same hybrid wing body model, the control surface e ectiveness was found to increase with the turbine powered simulator units operating. This was true for pitching moment, lift, and drag although pitching moment was the parameter of greatest interest for this project. With the turbine powered simulator units operating, the model pitching moment was seen to increase when compared to the ow-through nacelle con guration indicating that the center elevon and vertical tail control authority increased with the jet exhaust from the turbine powered simulator units.

Determination of electrostatic force and its characteristics based on phase difference by amplitude modulation atomic force microscopy

NASA Astrophysics Data System (ADS)

Wang, Kesheng; Cheng, Jia; Yao, Shiji; Lu, Yijia; Ji, Linhong; Xu, Dengfeng

2016-12-01

Electrostatic force measurement at the micro/nano scale is of great significance in science and engineering. In this paper, a reasonable way of applying voltage is put forward by taking an electrostatic chuck in a real integrated circuit manufacturing process as a sample, applying voltage in the probe and the sample electrode, respectively, and comparing the measurement effect of the probe oscillation phase difference by amplitude modulation atomic force microscopy. Based on the phase difference obtained from the experiment, the quantitative dependence of the absolute magnitude of the electrostatic force on the tip-sample distance and applied voltage is established by means of theoretical analysis and numerical simulation. The results show that the varying characteristics of the electrostatic force with the distance and voltage at the micro/nano scale are similar to those at the macroscopic scale. Electrostatic force gradually decays with increasing distance. Electrostatic force is basically proportional to the square of applied voltage. Meanwhile, the applicable conditions of the above laws are discussed. In addition, a comparison of the results in this paper with the results of the energy dissipation method shows the two are consistent in general. The error decreases with increasing distance, and the effect of voltage on the error is small.

Parameterization of backbone flexibility in a coarse-grained force field for proteins (COFFDROP) derived from all-atom explicit-solvent molecular dynamics simulations of all possible two-residue peptides

PubMed Central

Frembgen-Kesner, Tamara; Andrews, Casey T.; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A.; Jain, Aakash; Olayiwola, Oluwatoni; Weishaar, Mitch R.; Elcock, Adrian H.

2015-01-01

Recently, we reported the parameterization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs, and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downwards in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multi-domain proteins connected by flexible linkers. PMID:26574429

Chemistry-Climate Interactions in the GISS GCM. Part 1; Tropospheric Chemistry Model Description and Evaluation

NASA Technical Reports Server (NTRS)

Shindell, Drew T.; Grenfell, J. Lee; Rind, David; Price, Colin; Grewe, Volker; Hansen, James E. (Technical Monitor)

2001-01-01

A tropospheric chemistry module has been developed for use within the Goddard Institute for Space Studies (GISS) general circulation model (GCM) to study interactions between chemistry and climate change. The model uses a simplified chemistry scheme based on CO-NOx-CH4 chemistry, and also includes a parameterization for emissions of isoprene, the most important non-methane hydrocarbon. The model reproduces present day annual cycles and mean distributions of key trace gases fairly well, based on extensive comparisons with available observations. Examining the simulated change between present day and pre-industrial conditions, we find that the model has a similar response to that seen in other simulations. It shows a 45% increase in the global tropospheric ozone burden, within the 25% - 57% range seen in other studies. Annual average zonal mean ozone increases by more than 125% at Northern Hemisphere middle latitudes near the surface. Comparison of model runs that allow the calculated ozone to interact with the GCM's radiation and meteorology with those that do not shows only minor differences for ozone. The common usage of ozone fields that are not calculated interactively seems to be adequate to simulate both the present day and the pre-industrial ozone distributions. However, use of coupled chemistry does alter the change in tropospheric oxidation capacity, enlarging the overall decrease in OH concentrations from the pre-industrial to the present by about 10% (-5.3% global annual average in uncoupled mode, -5.9% in coupled mode). This indicates that there may be systematic biases in the simulation of the pre-industrial to present day decrease in the oxidation capacity of the troposphere (though a 10% difference is well within the total uncertainty). Global annual average radiative forcing from pre-industrial to present day ozone change is 0.32 W/sq m. The forcing seems to be increased by about 10% when the chemistry is coupled to the GCM. Forcing values greater than 0.8 W/sq m are seen over large areas of the United States, Southern Europe, North Africa, the Middle East, Central Asia, and the Arctic. Radiative forcing is greater than 1.5 W/sq m over parts of these areas during Northern summer Though there are local differences, the radiative forcing is overall in good agreement with the results of other modeling studies in both its magnitude and spatial distribution, demonstrating that the simplified chemistry is adequate for climate studies.

Influence of magnetic cohesion on the stability of granular slopes.

PubMed

Taylor, K; King, P J; Swift, Michael R

2008-09-01

We use a molecular dynamics model to simulate the formation and evolution of a granular pile in two dimensions in order to gain a better understanding of the role of magnetic interactions in avalanche dynamics. We find that the angle of repose increases only slowly with magnetic field; the increase in angle is small even for intergrain cohesive forces many times stronger than gravity. The magnetic forces within the bulk of the pile partially cancel as a result of the anisotropic nature of the dipole-dipole interaction between grains. However, we show that this cancellation effect is not sufficiently strong to explain the discrepancy between the angle of repose in wet systems and magnetically cohesive systems. In our simulations we observe shearing deep within the pile, and we argue that it is this motion that prevents the angle of repose from increasing dramatically. We also investigate different implementations of friction with the front and back walls of the container, and conclude that the nature of the friction dramatically affects the influence of magnetic cohesion on the angle of repose.

Robustness of free and pinned spiral waves against breakup by electrical forcing in excitable chemical media.

PubMed

Phantu, Metinee; Sutthiopad, Malee; Luengviriya, Jiraporn; Müller, Stefan C; Luengviriya, Chaiya

2017-04-01

We present an investigation on the breakup of free and pinned spiral waves under an applied electrical current in the Belousov-Zhabotinsky reaction. Spiral fronts propagating towards the negative electrode are decelerated. A breakup of the spiral waves occurs when some segments of the fronts are stopped by a sufficiently strong electrical current. In the absence of obstacles (i.e., free spiral waves), the critical value of the electrical current for the wave breakup increases with the excitability of the medium. For spiral waves pinned to circular obstacles, the critical electrical current increases with the obstacle diameter. Analysis of spiral dynamics shows that the enhancement of the robustness against the breakup of both free and pinned spiral waves is originated by the increment of wave speed when either the excitability is strengthened or the obstacle size is enlarged. The experimental findings are reproduced by numerical simulations using the Oregonator model. In addition, the simulations reveal that the robustness against the forced breakup increases with the activator level in both cases of free and pinned spiral waves.

Impact of Surface Type, Wheelchair Weight, and Axle Position on Wheelchair Propulsion by Novice Older Adults

PubMed Central

Cowan, Rachel E.; Nash, Mark S.; Collinger, Jennifer L.; Koontz, Alicia M.; Boninger, Michael L.

2009-01-01

Objective To examine the impact of surface type, wheelchair weight, and rear axle position on older adult propulsion biomechanics. Design Crossover trial. Setting Biomechanics laboratory. Participants Convenience sample of 53 ambulatory older adults with minimal wheelchair experience (65−87y); men = 20, women = 33. Intervention Participants propelled 4 different wheelchair configurations over 4 surfaces; tile, low carpet, high carpet, and an 8% grade ramp (surface, chair order randomized). Chair configurations included: (1) unweighted chair with an anterior axle position, (2) 9.05kg weighted chair with an anterior axle position, (3) unweighted chair with a posterior axle position (Δ0.08m), and (4) 9.05kg weighted chair with a posterior axle position (Δ0.08m). Weight was added to a titanium folding chair, simulating the weight difference between very light and depot wheelchairs. Instrumented wheels measured propulsion kinetics. Main Outcome Measures Average self-selected velocity, push-frequency, stroke length, peak resultant and tangential force. Results Velocity decreased as surface rolling resistance or chair weight increased. Peak resultant and tangential forces increased as chair weight increased, surface resistance increased, and with a posterior axle position. The effect of a posterior axle position was greater on high carpet and the ramp. The effect of weight was constant, but more easily observed on high carpet and ramp. The effects of axle position and weight were independent of one another. Conclusion Increased surface resistance decreases self-selected velocity and increases peak forces. Increased weight decreases self-selected velocity and increases forces. Anterior axle positions decrease forces, more so on high carpet. Effects of weight and axle position are independent. Greatest reductions in peak forces occur in lighter chairs with anterior axle positions. PMID:19577019

Flight Testing an Iced Business Jet for Flight Simulation Model Validation

NASA Technical Reports Server (NTRS)

Ratvasky, Thomas P.; Barnhart, Billy P.; Lee, Sam; Cooper, Jon

2007-01-01

A flight test of a business jet aircraft with various ice accretions was performed to obtain data to validate flight simulation models developed through wind tunnel tests. Three types of ice accretions were tested: pre-activation roughness, runback shapes that form downstream of the thermal wing ice protection system, and a wing ice protection system failure shape. The high fidelity flight simulation models of this business jet aircraft were validated using a software tool called "Overdrive." Through comparisons of flight-extracted aerodynamic forces and moments to simulation-predicted forces and moments, the simulation models were successfully validated. Only minor adjustments in the simulation database were required to obtain adequate match, signifying the process used to develop the simulation models was successful. The simulation models were implemented in the NASA Ice Contamination Effects Flight Training Device (ICEFTD) to enable company pilots to evaluate flight characteristics of the simulation models. By and large, the pilots confirmed good similarities in the flight characteristics when compared to the real airplane. However, pilots noted pitch up tendencies at stall with the flaps extended that were not representative of the airplane and identified some differences in pilot forces. The elevator hinge moment model and implementation of the control forces on the ICEFTD were identified as a driver in the pitch ups and control force issues, and will be an area for future work.

Changes in myosin S1 orientation and force induced by a temperature increase.

PubMed

Griffiths, Peter J; Bagni, Maria A; Colombini, Barbara; Amenitsch, Heinz; Bernstorff, Sigrid; Ashley, Christopher C; Cecchi, Giovanni; Ameritsch, Heinz

2002-04-16

Force generation in myosin-based motile systems is thought to result from an angular displacement of the myosin subfragment 1 (S1) tail domain with respect to the actin filament axis. In muscle, raised temperature increases the force generated by S1, implying a greater change in tail domain angular displacement. We used time-resolved x-ray diffraction to investigate the structural corollary of this force increase by measuring M3 meridional reflection intensity during sinusoidal length oscillations. This technique allows definition of S1 orientation with respect to the myofilament axis. M3 intensity changes were approximately sinusoid at low temperatures but became increasingly distorted as temperature was elevated, with the formation of a double intensity peak at maximum shortening. This increased distortion could be accounted for by assuming a shift in orientation of the tail domain of actin-bound S1 toward the orientation at which M3 intensity is maximal, which is consistent with a tail domain rotation model of force generation in which the tail approaches a more perpendicular projection from the thin filament axis at higher temperatures. In power stroke simulations, the angle between S1 tail mean position during oscillations and the position at maximum intensity decreased by 4.7 degrees, corresponding to a mean tail displacement toward the perpendicular of 0.73 nm for a temperature-induced force increase of 0.28 P(0) from 4 to 22 degrees C. Our findings suggest that at least 62% of crossbridge compliance is associated with the tail domain.

From Dot to Ring: The Role of Friction in the Deposition Pattern of a Drying Colloidal Suspension Droplet.

PubMed

Xie, Qingguang; Harting, Jens

2018-05-08

The deposition of particles on a substrate by drying a colloidal suspension droplet is at the core of applications ranging from traditional printing on paper to printable electronics or photovoltaic devices. The self-pinning induced by the accumulation of particles at the contact line plays an important role in the formation of a deposit. In this article, we investigate, both numerically and theoretically, the effect of friction between the particles and the substrate on the deposition pattern. Without friction, the contact line shows a stick-slip behavior and a dotlike deposit is left after the droplet is evaporated. By increasing the friction force, we observe a transition from a dotlike to a ringlike deposit. We propose a theoretical model to predict the effective radius of the particle deposit as a function of the friction force. Our theoretical model predicts a critical friction force when self-pinning happens and the effective radius of deposit increases with increasing friction force, confirmed by our simulation results. Our results can find implications for developing active control strategies for the deposition of drying droplets.

The effect of dentinal fluid flow during loading in various directions--simulation of fluid-structure interaction.

PubMed

Su, Kuo-Chih; Chang, Chih-Han; Chuang, Shu-Fen; Ng, Eddie Yin-Kwee

2013-06-01

This study uses a fluid-structure interaction (FSI) simulation to evaluate the fluid flow in a dental intrapulpal chamber induced by the deformation of the tooth structure during loading in various directions. The FSI is used for the biomechanics simulation of dental intrapulpal responses with the force loading gradually increasing from 0 to 100N at 0°, 30°, 45°, 60°, and 90° on the tooth surface in 1s, respectively. The effect of stress or deformation on tooth and fluid flow changes in the pulp chamber are evaluated. A horizontal loading force on a tooth may induce tooth structure deformation, which increases fluid flow velocity in the coronal pulp. Thus, horizontal loading on a tooth may easily induce tooth pain. This study suggests that experiments to investigate the relationship between loading in various directions and dental pain should avoid measuring the bulk pulpal fluid flow from radicular pulp, but rather should measure the dentinal fluid flow in the dentinal tubules or coronal pulp. The FSI analysis used here could provide a powerful tool for investigating problems with coupled solid and fluid structures in dental biomechanics. Copyright © 2012 Elsevier Ltd. All rights reserved.