The impact of volcanic aerosol on the Northern Hemisphere stratospheric polar vortex: mechanisms and sensitivity to forcing structure

NASA Astrophysics Data System (ADS)

Toohey, M.; Krüger, K.; Bittner, M.; Timmreck, C.; Schmidt, H.

2014-12-01

Observations and simple theoretical arguments suggest that the Northern Hemisphere (NH) stratospheric polar vortex is stronger in winters following major volcanic eruptions. However, recent studies show that climate models forced by prescribed volcanic aerosol fields fail to reproduce this effect. We investigate the impact of volcanic aerosol forcing on stratospheric dynamics, including the strength of the NH polar vortex, in ensemble simulations with the Max Planck Institute Earth System Model. The model is forced by four different prescribed forcing sets representing the radiative properties of stratospheric aerosol following the 1991 eruption of Mt. Pinatubo: two forcing sets are based on observations, and are commonly used in climate model simulations, and two forcing sets are constructed based on coupled aerosol-climate model simulations. For all forcings, we find that simulated temperature and zonal wind anomalies in the NH high latitudes are not directly impacted by anomalous volcanic aerosol heating. Instead, high-latitude effects result from enhancements in stratospheric residual circulation, which in turn result, at least in part, from enhanced stratospheric wave activity. High-latitude effects are therefore much less robust than would be expected if they were the direct result of aerosol heating. Both observation-based forcing sets result in insignificant changes in vortex strength. For the model-based forcing sets, the vortex response is found to be sensitive to the structure of the forcing, with one forcing set leading to significant strengthening of the polar vortex in rough agreement with observation-based expectations. Differences in the dynamical response to the forcing sets imply that reproducing the polar vortex responses to past eruptions, or predicting the response to future eruptions, depends on accurate representation of the space-time structure of the volcanic aerosol forcing.

Current target acquisition methodology in force on force simulations

NASA Astrophysics Data System (ADS)

Hixson, Jonathan G.; Miller, Brian; Mazz, John P.

2017-05-01

The U.S. Army RDECOM CERDEC NVESD MSD's target acquisition models have been used for many years by the military community in force on force simulations for training, testing, and analysis. There have been significant improvements to these models over the past few years. The significant improvements are the transition of ACQUIRE TTP-TAS (ACQUIRE Targeting Task Performance Target Angular Size) methodology for all imaging sensors and the development of new discrimination criteria for urban environments and humans. This paper is intended to provide an overview of the current target acquisition modeling approach and provide data for the new discrimination tasks. This paper will discuss advances and changes to the models and methodologies used to: (1) design and compare sensors' performance, (2) predict expected target acquisition performance in the field, (3) predict target acquisition performance for combat simulations, and (4) how to conduct model data validation for combat simulations.

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.

The Radiative Forcing Model Intercomparison Project (RFMIP): Experimental protocol for CMIP6

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

Pincus, Robert; Forster, Piers M.; Stevens, Bjorn

The phrasing of the first of three questions motivating CMIP6 – “How does the Earth system respond to forcing?” – suggests that forcing is always well-known, yet the radiative forcing to which this question refers has historically been uncertain in coordinated experiments even as understanding of how best to infer radiative forcing has evolved. The Radiative Forcing Model Intercomparison Project (RFMIP) endorsed by CMIP6 seeks to provide a foundation for answering the question through three related activities: (i) accurate characterization of the effective radiative forcing relative to a near-preindustrial baseline and careful diagnosis of the components of this forcing; (ii) assessment ofmore » the absolute accuracy of clear-sky radiative transfer parameterizations against reference models on the global scales relevant for climate modeling; and (iii) identification of robust model responses to tightly specified aerosol radiative forcing from 1850 to present. Complete characterization of effective radiative forcing can be accomplished with 180 years (Tier 1) of atmosphere-only simulation using a sea-surface temperature and sea ice concentration climatology derived from the host model's preindustrial control simulation. Assessment of parameterization error requires trivial amounts of computation but the development of small amounts of infrastructure: new, spectrally detailed diagnostic output requested as two snapshots at present-day and preindustrial conditions, and results from the model's radiation code applied to specified atmospheric conditions. In conclusion, the search for robust responses to aerosol changes relies on the CMIP6 specification of anthropogenic aerosol properties; models using this specification can contribute to RFMIP with no additional simulation, while those using a full aerosol model are requested to perform at least one and up to four 165-year coupled ocean–atmosphere simulations at Tier 1.« less

The Radiative Forcing Model Intercomparison Project (RFMIP): Experimental protocol for CMIP6

DOE PAGES

Pincus, Robert; Forster, Piers M.; Stevens, Bjorn

2016-09-27

The phrasing of the first of three questions motivating CMIP6 – “How does the Earth system respond to forcing?” – suggests that forcing is always well-known, yet the radiative forcing to which this question refers has historically been uncertain in coordinated experiments even as understanding of how best to infer radiative forcing has evolved. The Radiative Forcing Model Intercomparison Project (RFMIP) endorsed by CMIP6 seeks to provide a foundation for answering the question through three related activities: (i) accurate characterization of the effective radiative forcing relative to a near-preindustrial baseline and careful diagnosis of the components of this forcing; (ii) assessment ofmore » the absolute accuracy of clear-sky radiative transfer parameterizations against reference models on the global scales relevant for climate modeling; and (iii) identification of robust model responses to tightly specified aerosol radiative forcing from 1850 to present. Complete characterization of effective radiative forcing can be accomplished with 180 years (Tier 1) of atmosphere-only simulation using a sea-surface temperature and sea ice concentration climatology derived from the host model's preindustrial control simulation. Assessment of parameterization error requires trivial amounts of computation but the development of small amounts of infrastructure: new, spectrally detailed diagnostic output requested as two snapshots at present-day and preindustrial conditions, and results from the model's radiation code applied to specified atmospheric conditions. In conclusion, the search for robust responses to aerosol changes relies on the CMIP6 specification of anthropogenic aerosol properties; models using this specification can contribute to RFMIP with no additional simulation, while those using a full aerosol model are requested to perform at least one and up to four 165-year coupled ocean–atmosphere simulations at Tier 1.« less

Predicting the effects of muscle activation on knee, thigh, and hip injuries in frontal crashes using a finite-element model with muscle forces from subject testing and musculoskeletal modeling.

PubMed

Chang, Chia-Yuan; Rupp, Jonathan D; Reed, Matthew P; Hughes, Richard E; Schneider, Lawrence W

2009-11-01

In a previous study, the authors reported on the development of a finite-element model of the midsize male pelvis and lower extremities with lower-extremity musculature that was validated using PMHS knee-impact response data. Knee-impact simulations with this model were performed using forces from four muscles in the lower extremities associated with two-foot bracing reported in the literature to provide preliminary estimates of the effects of lower-extremity muscle activation on knee-thigh-hip injury potential in frontal impacts. The current study addresses a major limitation of these preliminary simulations by using the AnyBody three-dimensional musculoskeletal model to estimate muscle forces produced in 35 muscles in each lower extremity during emergency one-foot braking. To check the predictions of the AnyBody Model, activation levels of twelve major muscles in the hip and lower extremities were measured using surface EMG electrodes on 12 midsize-male subjects performing simulated maximum and 50% of maximum braking in a laboratory seating buck. Comparisons between test results and the predictions of the AnyBody Model when it was used to simulate these same braking tests suggest that the AnyBody model appropriately predicts agonistic muscle activations but under predicts antagonistic muscle activations. Simulations of knee-to-knee-bolster impacts were performed by impacting the knees of the lower-extremity finite element model with and without the muscle forces predicted by the validated AnyBody Model. Results of these simulations confirm previous findings that muscle tension increases knee-impact force by increasing the effective mass of the KTH complex due to tighter coupling of muscle mass to bone. They also indicate that muscle activation preferentially couples mass distal to the hip, thereby accentuating the decrease in femur force from the knee to the hip. However, the reduction in force transmitted from the knee to the hip is offset by the increased force at the knee and by increased compressive forces at the hip due to activation of lower-extremity muscles. As a result, approximately 45% to 60% and 50% to 65% of the force applied to the knee is applied to the hip in the simulations without and with muscle tension, respectively. The simulation results suggest that lower-extremity muscle tension has little effect on the risk of hip injuries, but it increases the bending moments in the femoral shaft, thereby increasing the risk of femoral shaft fractures by 20%-40%. However, these findings may be affected by the inability of the AnyBody Model to appropriately predict antagonistic muscle forces.

Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations. Part I: Surface fluxes

NASA Astrophysics Data System (ADS)

Josse, P.; Caniaux, G.; Giordani, H.; Planton, S.

1999-04-01

A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer to the atmosphere is highly non-local and enhanced in the coupled simulation.

TMFF-A Two-Bead Multipole Force Field for Coarse-Grained Molecular Dynamics Simulation of Protein.

PubMed

Li, Min; Liu, Fengjiao; Zhang, John Z H

2016-12-13

Coarse-grained (CG) models are desirable for studying large and complex biological systems. In this paper, we propose a new two-bead multipole force field (TMFF) in which electric multipoles up to the quadrupole are included in the CG force field. The inclusion of electric multipoles in the proposed CG force field enables a more realistic description of the anisotropic electrostatic interactions in the protein system and, thus, provides an improvement over the standard isotropic two-bead CG models. In order to test the accuracy of the new CG force field model, extensive molecular dynamics simulations were carried out for a series of benchmark protein systems. These simulation studies showed that the TMFF model can realistically reproduce the structural and dynamical properties of proteins, as demonstrated by the close agreement of the CG results with those from the corresponding all-atom simulations in terms of root-mean-square deviations (RMSDs) and root-mean-square fluctuations (RMSFs) of the protein backbones. The current two-bead model is highly coarse-grained and is 50-fold more efficient than all-atom method in MD simulation of proteins in explicit water.

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.

A predictive bone drilling force model for haptic rendering with experimental validation using fresh cadaveric bone.

PubMed

Lin, Yanping; Chen, Huajiang; Yu, Dedong; Zhang, Ying; Yuan, Wen

2017-01-01

Bone drilling simulators with virtual and haptic feedback provide a safe, cost-effective and repeatable alternative to traditional surgical training methods. To develop such a simulator, accurate haptic rendering based on a force model is required to feedback bone drilling forces based on user input. Current predictive bone drilling force models based on bovine bones with various drilling conditions and parameters are not representative of the bone drilling process in bone surgery. The objective of this study was to provide a bone drilling force model for haptic rendering based on calibration and validation experiments in fresh cadaveric bones with different bone densities. Using a commonly used drill bit geometry (2 mm diameter), feed rates (20-60 mm/min) and spindle speeds (4000-6000 rpm) in orthognathic surgeries, the bone drilling forces of specimens from two groups were measured and the calibration coefficients of the specific normal and frictional pressures were determined. The comparison of the predicted forces and the measured forces from validation experiments with a large range of feed rates and spindle speeds demonstrates that the proposed bone drilling forces can predict the trends and average forces well. The presented bone drilling force model can be used for haptic rendering in surgical simulators.

Computer Simulation of the Forces Acting on the Polystyrene Probe Submerged into the Succinonitrile Near Phase Transition

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Kaukler, William F.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Modeling approach to simulate both mesoscale and microscopic forces acting in a typical AFM experiment is presented. At mesoscale level interaction between the cantilever tip and the sample surface is primarily described by the balance of attractive Van der Waals and repulsive forces. The model of cantilever oscillations is applicable to both non-contact and "tapping" AFM. This model can be farther enhanced to describe nanoparticle manipulation by cantilever. At microscopic level tip contamination and details of tip-surface interaction can be simulated using molecular dynamics approach. Integration of mesoscale model with molecular dynamic model is discussed.

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.

Pedestrians’ behavior in emergency evacuation: Modeling and simulation

NASA Astrophysics Data System (ADS)

Wang, Lei; Zheng, Jie-Hui; Zhang, Xiao-Shuang; Zhang, Jian-Lin; Wang, Qiu-Zhen; Zhang, Qian

2016-11-01

The social force model has been widely used to simulate pedestrian evacuation by analyzing attractive, repulsive, driving, and fluctuating forces among pedestrians. Many researchers have improved its limitations in simulating behaviors of large-scale population. This study modifies the well-accepted social force model by considering the impacts of interaction among companions and further develops a comprehensive model by combining that with a multi-exit utility function. Then numerical simulations of evacuations based on the comprehensive model are implemented in the waiting hall of the Wulin Square Subway Station in Hangzhou, China. The results provide safety thresholds of pedestrian density and panic levels in different operation situations. In spite of the operation situation and the panic level, a larger friend-group size results in lower evacuation efficiency. Our study makes important contributions to building a comprehensive multi-exit social force model and to applying it to actual scenarios, which produces data to facilitate decision making in contingency plans and emergency treatment. Project supported by the National Natural Science Foundation of China (Grant No. 71471163).

Hydrological assessment of atmospheric forcing uncertainty in the Euro-Mediterranean area using a land surface model

NASA Astrophysics Data System (ADS)

Gelati, Emiliano; Decharme, Bertrand; Calvet, Jean-Christophe; Minvielle, Marie; Polcher, Jan; Fairbairn, David; Weedon, Graham P.

2018-04-01

Physically consistent descriptions of land surface hydrology are crucial for planning human activities that involve freshwater resources, especially in light of the expected climate change scenarios. We assess how atmospheric forcing data uncertainties affect land surface model (LSM) simulations by means of an extensive evaluation exercise using a number of state-of-the-art remote sensing and station-based datasets. For this purpose, we use the CO2-responsive ISBA-A-gs LSM coupled with the CNRM version of the Total Runoff Integrated Pathways (CTRIP) river routing model. We perform multi-forcing simulations over the Euro-Mediterranean area (25-75.5° N, 11.5° W-62.5° E, at 0.5° resolution) from 1979 to 2012. The model is forced using four atmospheric datasets. Three of them are based on the ERA-Interim reanalysis (ERA-I). The fourth dataset is independent from ERA-Interim: PGF, developed at Princeton University. The hydrological impacts of atmospheric forcing uncertainties are assessed by comparing simulated surface soil moisture (SSM), leaf area index (LAI) and river discharge against observation-based datasets: SSM from the European Space Agency's Water Cycle Multi-mission Observation Strategy and Climate Change Initiative projects (ESA-CCI), LAI of the Global Inventory Modeling and Mapping Studies (GIMMS), and Global Runoff Data Centre (GRDC) river discharge. The atmospheric forcing data are also compared to reference datasets. Precipitation is the most uncertain forcing variable across datasets, while the most consistent are air temperature and SW and LW radiation. At the monthly timescale, SSM and LAI simulations are relatively insensitive to forcing uncertainties. Some discrepancies with ESA-CCI appear to be forcing-independent and may be due to different assumptions underlying the LSM and the remote sensing retrieval algorithm. All simulations overestimate average summer and early-autumn LAI. Forcing uncertainty impacts on simulated river discharge are larger on mean values and standard deviations than on correlations with GRDC data. Anomaly correlation coefficients are not inferior to those computed from raw monthly discharge time series, indicating that the model reproduces inter-annual variability fairly well. However, simulated river discharge time series generally feature larger variability compared to measurements. They also tend to overestimate winter-spring high flows and underestimate summer-autumn low flows. Considering that several differences emerge between simulations and reference data, which may not be completely explained by forcing uncertainty, we suggest several research directions. These range from further investigating the discrepancies between LSMs and remote sensing retrievals to developing new model components to represent physical and anthropogenic processes.

Investigating the dependence of SCM simulated precipitation and clouds on the spatial scale of large-scale forcing at SGP [Investigating the scale dependence of SCM simulated precipitation and cloud by using gridded forcing data at SGP

DOE PAGES

Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng

2017-08-05

Large-scale forcing data, such as vertical velocity and advective tendencies, are required to drive single-column models (SCMs), cloud-resolving models, and large-eddy simulations. Previous studies suggest that some errors of these model simulations could be attributed to the lack of spatial variability in the specified domain-mean large-scale forcing. This study investigates the spatial variability of the forcing and explores its impact on SCM simulated precipitation and clouds. A gridded large-scale forcing data during the March 2000 Cloud Intensive Operational Period at the Atmospheric Radiation Measurement program's Southern Great Plains site is used for analysis and to drive the single-column version ofmore » the Community Atmospheric Model Version 5 (SCAM5). When the gridded forcing data show large spatial variability, such as during a frontal passage, SCAM5 with the domain-mean forcing is not able to capture the convective systems that are partly located in the domain or that only occupy part of the domain. This problem has been largely reduced by using the gridded forcing data, which allows running SCAM5 in each subcolumn and then averaging the results within the domain. This is because the subcolumns have a better chance to capture the timing of the frontal propagation and the small-scale systems. As a result, other potential uses of the gridded forcing data, such as understanding and testing scale-aware parameterizations, are also discussed.« less

Influence of wheel-rail contact modelling on vehicle dynamic simulation

NASA Astrophysics Data System (ADS)

Burgelman, Nico; Sichani, Matin Sh.; Enblom, Roger; Berg, Mats; Li, Zili; Dollevoet, Rolf

2015-08-01

This paper presents a comparison of four models of rolling contact used for online contact force evaluation in rail vehicle dynamics. Until now only a few wheel-rail contact models have been used for online simulation in multibody software (MBS). Many more models exist and their behaviour has been studied offline, but a comparative study of the mutual influence between the calculation of the creep forces and the simulated vehicle dynamics seems to be missing. Such a comparison would help researchers with the assessment of accuracy and calculation time. The contact methods investigated in this paper are FASTSIM, Linder, Kik-Piotrowski and Stripes. They are compared through a coupling between an MBS for the vehicle simulation and Matlab for the contact models. This way the influence of the creep force calculation on the vehicle simulation is investigated. More specifically this study focuses on the influence of the contact model on the simulation of the hunting motion and on the curving behaviour.

A Phenomenological Model and Validation of Shortening Induced Force Depression during Muscle Contractions

PubMed Central

McGowan, C.P.; Neptune, R.R.; Herzog, W.

2009-01-01

History dependent effects on muscle force development following active changes in length have been measured in a number of experimental studies. However, few muscle models have included these properties or examined their impact on force and power output in dynamic cyclic movements. The goal of this study was to develop and validate a modified Hill-type muscle model that includes shortening induced force depression and assess its influence on locomotor performance. The magnitude of force depression was defined by empirical relationships based on muscle mechanical work. To validate the model, simulations incorporating force depression were developed to emulate single muscle in situ and whole muscle group leg extension experiments. There was excellent agreement between simulation and experimental values, with in situ force patterns closely matching the experimental data (average RMS error < 1.5 N) and force depression in the simulated leg extension exercise being similar in magnitude to experimental values (6.0% vs 6.5%, respectively). To examine the influence of force depression on locomotor performance, simulations of maximum power pedaling with and without force depression were generated. Force depression decreased maximum crank power by 20% – 40%, depending on the relationship between force depression and muscle work used. These results indicate that force depression has the potential to substantially influence muscle power output in dynamic cyclic movements. However, to fully understand the impact of this phenomenon on human movement, more research is needed to characterize the relationship between force depression and mechanical work in large muscles with different morphologies. PMID:19879585

Calculation of Non-Bonded Forces Due to Sliding of Bundled Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Frankland, S. J. V.; Bandorawalla, T.; Gates, T. S.

2003-01-01

An important consideration for load transfer in bundles of single-walled carbon nanotubes is the nonbonded (van der Waals) forces between the nanotubes and their effect on axial sliding of the nanotubes relative to each other. In this research, the non-bonded forces in a bundle of seven hexagonally packed (10,10) single-walled carbon nanotubes are represented as an axial force applied to the central nanotube. A simple model, based on momentum balance, is developed to describe the velocity response of the central nanotube to the applied force. The model is verified by comparing its velocity predictions with molecular dynamics simulations that were performed on the bundle with different force histories applied to the central nanotube. The model was found to quantitatively predict the nanotube velocities obtained from the molecular dynamics simulations. Both the model and the simulations predict a threshold force at which the nanotube releases from the bundle. This force converts to a shear yield strength of 10.5-11.0 MPa for (10,10) nanotubes in a bundle.

Aerodynamic Simulation of the MARINTEK Braceless Semisubmersible Wave Tank Tests

NASA Astrophysics Data System (ADS)

Stewart, Gordon; Muskulus, Michael

2016-09-01

Model scale experiments of floating offshore wind turbines are important for both platform design for the industry as well as numerical model validation for the research community. An important consideration in the wave tank testing of offshore wind turbines are scaling effects, especially the tension between accurate scaling of both hydrodynamic and aerodynamic forces. The recent MARINTEK braceless semisubmersible wave tank experiment utilizes a novel aerodynamic force actuator to decouple the scaling of the aerodynamic forces. This actuator consists of an array of motors that pull on cables to provide aerodynamic forces that are calculated by a blade-element momentum code in real time as the experiment is conducted. This type of system has the advantage of supplying realistically scaled aerodynamic forces that include dynamic forces from platform motion, but does not provide the insights into the accuracy of the aerodynamic models that an actual model-scale rotor could provide. The modeling of this system presents an interesting challenge, as there are two ways to simulate the aerodynamics; either by using the turbulent wind fields as inputs to the aerodynamic model of the design code, or by surpassing the aerodynamic model and using the forces applied to the experimental turbine as direct inputs to the simulation. This paper investigates the best practices of modeling this type of novel aerodynamic actuator using a modified wind turbine simulation tool, and demonstrates that bypassing the dynamic aerodynamics solver of design codes can lead to erroneous results.

Design of a National Skills Market Model for Air Force Enlisted Personnel

DTIC Science & Technology

1979-09-01

specific occupations, rather than merely by industrial sector, labor market behavior could be more clearly related to specific Air Force specialties. The ...distinguishable but related purposes. First, it is desired as an adjunct to the Integrated Simulation Evaluation Model (ISEM) currently being...corn- puter simulation model of the Air Force Manpower and Personnel System (AFM&PS) that integrates the behavioral relationships deter- mining the

An ensemble constrained variational analysis of atmospheric forcing data and its application to evaluate clouds in CAM5: Ensemble 3DCVA and Its Application

DOE PAGES

Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng

2016-01-05

Large-scale atmospheric forcing data can greatly impact the simulations of atmospheric process models including Large Eddy Simulations (LES), Cloud Resolving Models (CRMs) and Single-Column Models (SCMs), and impact the development of physical parameterizations in global climate models. This study describes the development of an ensemble variationally constrained objective analysis of atmospheric large-scale forcing data and its application to evaluate the cloud biases in the Community Atmospheric Model (CAM5). Sensitivities of the variational objective analysis to background data, error covariance matrix and constraint variables are described and used to quantify the uncertainties in the large-scale forcing data. Application of the ensemblemore » forcing in the CAM5 SCM during March 2000 intensive operational period (IOP) at the Southern Great Plains (SGP) of the Atmospheric Radiation Measurement (ARM) program shows systematic biases in the model simulations that cannot be explained by the uncertainty of large-scale forcing data, which points to the deficiencies of physical parameterizations. The SCM is shown to overestimate high clouds and underestimate low clouds. These biases are found to also exist in the global simulation of CAM5 when it is compared with satellite data.« less

An ensemble constrained variational analysis of atmospheric forcing data and its application to evaluate clouds in CAM5: Ensemble 3DCVA and Its Application

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

Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng

Large-scale atmospheric forcing data can greatly impact the simulations of atmospheric process models including Large Eddy Simulations (LES), Cloud Resolving Models (CRMs) and Single-Column Models (SCMs), and impact the development of physical parameterizations in global climate models. This study describes the development of an ensemble variationally constrained objective analysis of atmospheric large-scale forcing data and its application to evaluate the cloud biases in the Community Atmospheric Model (CAM5). Sensitivities of the variational objective analysis to background data, error covariance matrix and constraint variables are described and used to quantify the uncertainties in the large-scale forcing data. Application of the ensemblemore » forcing in the CAM5 SCM during March 2000 intensive operational period (IOP) at the Southern Great Plains (SGP) of the Atmospheric Radiation Measurement (ARM) program shows systematic biases in the model simulations that cannot be explained by the uncertainty of large-scale forcing data, which points to the deficiencies of physical parameterizations. The SCM is shown to overestimate high clouds and underestimate low clouds. These biases are found to also exist in the global simulation of CAM5 when it is compared with satellite data.« less

Evaluation of a single column model at the Southern Great Plains climate research facility

NASA Astrophysics Data System (ADS)

Kennedy, Aaron D.

Despite recent advancements in global climate modeling, models produce a large range of climate sensitivities for the Earth. This range of sensitivities results in part from uncertainties in modeling clouds. To understand and to improve cloud parameterizations in Global Climate Models (GCMs), simulations should be evaluated using observations of clouds. Detailed studies can be conducted at Atmospheric Radiation Measurements (ARM) sites which provide adequate observations and forcing for Single Column Model (SCM) studies. Unfortunately, forcing for SCMs is sparse and not available for many locations or times. This study had two main goals: (1) evaluate clouds from the GISS Model E AR5 SCM at the ARM Southern Great Plains site and (2) determine whether reanalysis-based forcing was feasible at this location. To accomplish these goals, multiple model runs were conducted from 1999--2008 using forcing provided by ARM and forcing developed from the North American Regional Reanalysis (NARR). To better understand cloud biases and differences in the forcings, atmospheric states were classified using Self Organizing Maps (SOMs). Although model simulations had many similarities with the observations, there were several noticeable biases. Deep clouds had a negative bias year-round and this was attributed to clouds being too thin during frontal systems and a lack of convection during the spring and summer. These results were consistent regardless of the forcing used. During August, SCM simulations had a positive bias for low clouds. This bias varied with the forcing suggesting that part of the problem was tied to errors in the forcing. NARR forcing had many favorable characteristics when compared to ARM observations and forcing. In particular, temperature and wind information were more accurate than ARM when compared to balloon soundings. During the cool season, NARR forcing produced results similar to ARM with reasonable precipitation and a similar cloud field. Although NARR vertical velocities were weaker than ARM during the convective season, these simulations were able to capture the majority of convective events. The limiting factor for NARR was humidity biases in the upper troposphere during the summer months. Prior to releasing this forcing to the modeling community, this issue must be investigated further.

A prediction model for lift-fan simulator performance. M.S. Thesis - Cleveland State Univ.

NASA Technical Reports Server (NTRS)

Yuska, J. A.

1972-01-01

The performance characteristics of a model VTOL lift-fan simulator installed in a two-dimensional wing are presented. The lift-fan simulator consisted of a 15-inch diameter fan driven by a turbine contained in the fan hub. The performance of the lift-fan simulator was measured in two ways: (1) the calculated momentum thrust of the fan and turbine (total thrust loading), and (2) the axial-force measured on a load cell force balance (axial-force loading). Tests were conducted over a wide range of crossflow velocities, corrected tip speeds, and wing angle of attack. A prediction modeling technique was developed to help in analyzing the performance characteristics of lift-fan simulators. A multiple linear regression analysis technique is presented which calculates prediction model equations for the dependent variables.

Spin-up simulation behaviors in a climate model to build a basement of long-time simulation

NASA Astrophysics Data System (ADS)

Lee, J.; Xue, Y.; De Sales, F.

2015-12-01

It is essential to develop start-up information when conducting long-time climate simulation. In case that the initial condition is already available from the previous simulation of same type model this does not necessary; however, if not, model needs spin-up simulation to have adjusted and balanced initial condition with the model climatology. Otherwise, a severe spin may take several years. Some of model variables such as deep soil temperature fields and temperature in ocean deep layers in initial fields would affect model's further long-time simulation due to their long residual memories. To investigate the important factor for spin-up simulation in producing an atmospheric initial condition, we had conducted two different spin-up simulations when no atmospheric condition is available from exist datasets. One simulation employed atmospheric global circulation model (AGCM), namely Global Forecast System (GFS) of National Center for Environmental Prediction (NCEP), while the other employed atmosphere-ocean coupled global circulation model (CGCM), namely Climate Forecast System (CFS) of NCEP. Both models share the atmospheric modeling part and only difference is in applying of ocean model coupling, which is conducted by Modular Ocean Model version 4 (MOM4) of Geophysical Fluid Dynamics Laboratory (GFDL) in CFS. During a decade of spin-up simulation, prescribed sea-surface temperature (SST) fields of target year is forced to the GFS daily basis, while CFS digested only first time step ocean condition and freely iterated for the rest of the period. Both models were forced by CO2 condition and solar constant given from the target year. Our analyses of spin-up simulation results indicate that freely conducted interaction between the ocean and the atmosphere is more helpful to produce the initial condition for the target year rather than produced by fixed SST forcing. Since the GFS used prescribed forcing exactly given from the target year, this result is unexpected. The detail analysis will be discussed in this presentation.

Mathematical modelling and numerical simulation of forces in milling process

NASA Astrophysics Data System (ADS)

Turai, Bhanu Murthy; Satish, Cherukuvada; Prakash Marimuthu, K.

2018-04-01

Machining of the material by milling induces forces, which act on the work piece material, tool and which in turn act on the machining tool. The forces involved in milling process can be quantified, mathematical models help to predict these forces. A lot of research has been carried out in this area in the past few decades. The current research aims at developing a mathematical model to predict forces at different levels which arise machining of Aluminium6061 alloy. Finite element analysis was used to develop a FE model to predict the cutting forces. Simulation was done for varying cutting conditions. Different experiments was designed using Taguchi method. A L9 orthogonal array was designed and the output was measure for the different experiments. The same was used to develop the mathematical model.

Modeling of Aerodynamic Force Acting in Tunnel for Analysis of Riding Comfort in a Train

NASA Astrophysics Data System (ADS)

Kikko, Satoshi; Tanifuji, Katsuya; Sakanoue, Kei; Nanba, Kouichiro

In this paper, we aimed to model the aerodynamic force that acts on a train running at high speed in a tunnel. An analytical model of the aerodynamic force is developed from pressure data measured on car-body sides of a test train running at the maximum revenue operation speed. The simulation of an 8-car train running while being subjected to the modeled aerodynamic force gives the following results. The simulated car-body vibration corresponds to the actual vibration both qualitatively and quantitatively for the cars at the rear of the train. The separation of the airflow at the tail-end of the train increases the yawing vibration of the tail-end car while it has little effect on the car-body vibration of the adjoining car. Also, the effect of the moving velocity of the aerodynamic force on the car-body vibration is clarified that the simulation under the assumption of a stationary aerodynamic force can markedly increase the car-body vibration.

Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations.

PubMed

Köster, Andreas; Spura, Thomas; Rutkai, Gábor; Kessler, Jan; Wiebeler, Hendrik; Vrabec, Jadran; Kühne, Thomas D

2016-07-15

The accuracy of water models derived from ab initio molecular dynamics simulations by means on an improved force-matching scheme is assessed for various thermodynamic, transport, and structural properties. It is found that although the resulting force-matched water models are typically less accurate than fully empirical force fields in predicting thermodynamic properties, they are nevertheless much more accurate than generally appreciated in reproducing the structure of liquid water and in fact superseding most of the commonly used empirical water models. This development demonstrates the feasibility to routinely parametrize computationally efficient yet predictive potential energy functions based on accurate ab initio molecular dynamics simulations for a large variety of different systems. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

eVolv2k: A new ice core-based volcanic forcing reconstruction for the past 2000 years

NASA Astrophysics Data System (ADS)

Toohey, Matthew; Sigl, Michael

2016-04-01

Radiative forcing resulting from stratospheric aerosols produced by major volcanic eruptions is a dominant driver of climate variability in the Earth's past. The ability of climate model simulations to accurately recreate past climate is tied directly to the accuracy of the volcanic forcing timeseries used in the simulations. We present here a new volcanic forcing reconstruction, based on newly updated ice core composites from Antarctica and Greenland. Ice core records are translated into stratospheric aerosol properties for use in climate models through the Easy Volcanic Aerosol (EVA) module, which provides an analytic representation of volcanic stratospheric aerosol forcing based on available observations and aerosol model results, prescribing the aerosol's radiative properties and primary modes of spatial and temporal variability. The evolv2k volcanic forcing dataset covers the past 2000 years, and has been provided for use in the Paleo-Modeling Intercomparison Project (PMIP), and VolMIP experiments within CMIP6. Here, we describe the construction of the eVolv2k data set, compare with prior forcing sets, and show initial simulation results.

A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy

DOE PAGES

Solares, Santiago D.

2015-11-26

This study introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretationmore » of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tappingmode imaging, for both of which the force curves exhibit the expected features. Lastly, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments.« less

A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy.

PubMed

Solares, Santiago D

2015-01-01

This paper introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretation of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tapping-mode imaging, for both of which the force curves exhibit the expected features. Finally, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments.

Neural control of muscle force: indications from a simulation model

PubMed Central

Luca, Carlo J. De

2013-01-01

We developed a model to investigate the influence of the muscle force twitch on the simulated firing behavior of motoneurons and muscle force production during voluntary isometric contractions. The input consists of an excitatory signal common to all the motor units in the pool of a muscle, consistent with the “common drive” property. Motor units respond with a hierarchically structured firing behavior wherein at any time and force, firing rates are inversely proportional to recruitment threshold, as described by the “onion skin” property. Time- and force-dependent changes in muscle force production are introduced by varying the motor unit force twitches as a function of time or by varying the number of active motor units. A force feedback adjusts the input excitation, maintaining the simulated force at a target level. The simulations replicate motor unit behavior characteristics similar to those reported in previous empirical studies of sustained contractions: 1) the initial decrease and subsequent increase of firing rates, 2) the derecruitment and recruitment of motor units throughout sustained contractions, and 3) the continual increase in the force fluctuation caused by the progressive recruitment of larger motor units. The model cautions the use of motor unit behavior at recruitment and derecruitment without consideration of changes in the muscle force generation capacity. It describes an alternative mechanism for the reserve capacity of motor units to generate extraordinary force. It supports the hypothesis that the control of motoneurons remains invariant during force-varying and sustained isometric contractions. PMID:23236008

MP-Pic simulation of CFB riser with EMMS-based drag model

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

Li, F.; Song, F.; Benyahia, S.

2012-01-01

MP-PIC (multi-phase particle in cell) method combined with the EMMS (energy minimization multi- scale) drag force model was implemented with the open source program MFIX to simulate the gas–solid flows in CFB (circulatingfluidizedbed) risers. Calculated solid flux by the EMMS drag agrees well with the experimental value; while the traditional homogeneous drag over-predicts this value. EMMS drag force model can also predict the macro-and meso-scale structures. Quantitative comparison of the results by the EMMS drag force model and the experimental measurements show high accuracy of the model. The effects of the number of particles per parcel and wall conditions onmore » the simulation results have also been investigated in the paper. This work proved that MP-PIC combined with the EMMS drag model can successfully simulate the fluidized flows in CFB risers and it serves as a candidate to realize real-time simulation of industrial processes in the future.« less

The role of historical forcings in simulating the observed Atlantic multidecadal oscillation

NASA Astrophysics Data System (ADS)

Murphy, Lisa N.; Bellomo, Katinka; Cane, Mark; Clement, Amy

2017-03-01

We analyze the Atlantic multidecadal oscillation (AMO) in the preindustrial (PI) and historical (HIST) simulations from the Coupled Model Intercomparison Project Phase 5 (CMIP5) to assess the drivers of the observed AMO from 1865 to 2005. We draw 141 year samples from the 41 CMIP5 model's PI runs and compare the correlation and variance between the observed AMO and the simulated PI and HIST AMO. The correlation coefficients in 38 forced (HIST) models are above the 90% confidence level and explain up to 56% of the observed variance. The probability that any of the unforced (PI) models do as well is less than 3% in 31 models. Multidecadal variability is larger in 39 CMIP5 HIST simulations and in all HIST members of the Community Earth System Model Large Ensemble than their corresponding PI. We conclude that there is an essential role for external forcing in driving the observed AMO.

An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications

PubMed Central

2016-01-01

Molecular mechanics force fields that explicitly account for induced polarization represent the next generation of physical models for molecular dynamics simulations. Several methods exist for modeling induced polarization, and here we review the classical Drude oscillator model, in which electronic degrees of freedom are modeled by charged particles attached to the nuclei of their core atoms by harmonic springs. We describe the latest developments in Drude force field parametrization and application, primarily in the last 15 years. Emphasis is placed on the Drude-2013 polarizable force field for proteins, DNA, lipids, and carbohydrates. We discuss its parametrization protocol, development history, and recent simulations of biologically interesting systems, highlighting specific studies in which induced polarization plays a critical role in reproducing experimental observables and understanding physical behavior. As the Drude oscillator model is computationally tractable and available in a wide range of simulation packages, it is anticipated that use of these more complex physical models will lead to new and important discoveries of the physical forces driving a range of chemical and biological phenomena. PMID:26815602

Sensitivity of tropical convection in cloud-resolving WRF simulations to model physics and forcing procedures

NASA Astrophysics Data System (ADS)

Endo, S.; Lin, W.; Jackson, R. C.; Collis, S. M.; Vogelmann, A. M.; Wang, D.; Oue, M.; Kollias, P.

2017-12-01

Tropical convection is one of the main drivers of the climate system and recognized as a major source of uncertainty in climate models. High-resolution modeling is performed with a focus on the deep convection cases during the active monsoon period of the TWP-ICE field campaign to explore ways to improve the fidelity of convection permitting tropical simulations. Cloud resolving model (CRM) simulations are performed with WRF modified to apply flexible configurations for LES/CRM simulations. We have enhanced the capability of the forcing module to test different implementations of large-scale vertical advective forcing, including a function for optional use of large-scale thermodynamic profiles and a function for the condensate advection. The baseline 3D CRM configurations are, following Fridlind et al. (2012), driven by observationally-constrained ARM forcing and tested with diagnosed surface fluxes and fixed sea-surface temperature and prescribed aerosol size distributions. After the spin-up period, the simulations follow the observed precipitation peaks associated with the passages of precipitation systems. Preliminary analysis shows that the simulation is generally not sensitive to the treatment of the large-scale vertical advection of heat and moisture, while more noticeable changes in the peak precipitation rate are produced when thermodynamic profiles above the boundary layer were nudged to the reference profiles from the forcing dataset. The presentation will explore comparisons with observationally-based metrics associated with convective characteristics and examine the model performance with a focus on model physics, doubly-periodic vs. nested configurations, and different forcing procedures/sources. A radar simulator will be used to understand possible uncertainties in radar-based retrievals of convection properties. Fridlind, A. M., et al. (2012), A comparison of TWP-ICE observational data with cloud-resolving model results, J. Geophys. Res., 117, D05204, doi:10.1029/2011JD016595.

Implementing Nonlinear Buoyancy and Excitation Forces in the WEC-Sim Wave Energy Converter Modeling Tool: Preprint

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

Lawson, M.; Yu, Y. H.; Nelessen, A.

2014-05-01

Wave energy converters (WECs) are commonly designed and analyzed using numerical models that combine multi-body dynamics with hydrodynamic models based on the Cummins Equation and linearized hydrodynamic coefficients. These modeling methods are attractive design tools because they are computationally inexpensive and do not require the use of high performance computing resources necessitated by high-fidelity methods, such as Navier Stokes computational fluid dynamics. Modeling hydrodynamics using linear coefficients assumes that the device undergoes small motions and that the wetted surface area of the devices is approximately constant. WEC devices, however, are typically designed to undergo large motions in order to maximizemore » power extraction, calling into question the validity of assuming that linear hydrodynamic models accurately capture the relevant fluid-structure interactions. In this paper, we study how calculating buoyancy and Froude-Krylov forces from the instantaneous position of a WEC device (referred to as instantaneous buoyancy and Froude-Krylov forces from herein) changes WEC simulation results compared to simulations that use linear hydrodynamic coefficients. First, we describe the WEC-Sim tool used to perform simulations and how the ability to model instantaneous forces was incorporated into WEC-Sim. We then use a simplified one-body WEC device to validate the model and to demonstrate how accounting for these instantaneously calculated forces affects the accuracy of simulation results, such as device motions, hydrodynamic forces, and power generation.« less

United States Air Force Research Initiation Program for 1988. Volume 2

DTIC Science & Technology

1990-04-01

Specialty: Modeling and Simulation ENGINEERING AND SERVICES CENTER (Tyndall Air Force Base) Dr. Wayne A. Charlie Dr. Peter Jeffers (1987) Colorado State...Michael Sydor University of New Hampshire University of Minnesota Specialty: Systems Modeling & Controls Specialty: Optics, Material Science Dr. John...9MG-025 4 Modeling and Simulation on Micro- Dr. Joseph J. Feeley (1987) computers, 1989 760-7MG-070 5 Two Dimensional MHD Simulation of Dr. Manuel A

A new class of actuator surface models for wind turbines

NASA Astrophysics Data System (ADS)

Yang, Xiaolei; Sotiropoulos, Fotis

2018-05-01

Actuator line model has been widely employed in wind turbine simulations. However, the standard actuator line model does not include a model for the turbine nacelle which can significantly impact turbine wake characteristics as shown in the literature. Another disadvantage of the standard actuator line model is that more geometrical features of turbine blades cannot be resolved on a finer mesh. To alleviate these disadvantages of the standard model, we develop a new class of actuator surface models for turbine blades and nacelle to take into account more geometrical details of turbine blades and include the effect of turbine nacelle. In the actuator surface model for blade, the aerodynamic forces calculated using the blade element method are distributed from the surface formed by the foil chords at different radial locations. In the actuator surface model for nacelle, the forces are distributed from the actual nacelle surface with the normal force component computed in the same way as in the direct forcing immersed boundary method and the tangential force component computed using a friction coefficient and a reference velocity of the incoming flow. The actuator surface model for nacelle is evaluated by simulating the flow over periodically placed nacelles. Both the actuator surface simulation and the wall-resolved large-eddy simulation are carried out. The comparison shows that the actuator surface model is able to give acceptable results especially at far wake locations on a very coarse mesh. It is noted that although this model is employed for the turbine nacelle in this work, it is also applicable to other bluff bodies. The capability of the actuator surface model in predicting turbine wakes is assessed by simulating the flow over the MEXICO (Model experiments in Controlled Conditions) turbine and a hydrokinetic turbine.

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

PubMed Central

Zhou, Yu-Ping; Jiang, Jin-Wu

2017-01-01

While most existing theoretical studies on the borophene are based on first-principles calculations, the present work presents molecular dynamics simulations for the lattice dynamical and mechanical properties in borophene. The obtained mechanical quantities are in good agreement with previous first-principles calculations. The key ingredients for these molecular dynamics simulations are the two efficient empirical potentials developed in the present work for the interaction of borophene with low-energy triangular structure. The first one is the valence force field model, which is developed with the assistance of the phonon dispersion of borophene. The valence force field model is a linear potential, so it is rather efficient for the calculation of linear quantities in borophene. The second one is the Stillinger-Weber potential, whose parameters are derived based on the valence force field model. The Stillinger-Weber potential is applicable in molecular dynamics simulations of nonlinear physical or mechanical quantities in borophene. PMID:28349983

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.

Relative performance of empirical and physical models in assessing the seasonal and annual glacier surface mass balance of Saint-Sorlin Glacier (French Alps)

NASA Astrophysics Data System (ADS)

Réveillet, Marion; Six, Delphine; Vincent, Christian; Rabatel, Antoine; Dumont, Marie; Lafaysse, Matthieu; Morin, Samuel; Vionnet, Vincent; Litt, Maxime

2018-04-01

This study focuses on simulations of the seasonal and annual surface mass balance (SMB) of Saint-Sorlin Glacier (French Alps) for the period 1996-2015 using the detailed SURFEX/ISBA-Crocus snowpack model. The model is forced by SAFRAN meteorological reanalysis data, adjusted with automatic weather station (AWS) measurements to ensure that simulations of all the energy balance components, in particular turbulent fluxes, are accurately represented with respect to the measured energy balance. Results indicate good model performance for the simulation of summer SMB when using meteorological forcing adjusted with in situ measurements. Model performance however strongly decreases without in situ meteorological measurements. The sensitivity of the model to meteorological forcing indicates a strong sensitivity to wind speed, higher than the sensitivity to ice albedo. Compared to an empirical approach, the model exhibited better performance for simulations of snow and firn melting in the accumulation area and similar performance in the ablation area when forced with meteorological data adjusted with nearby AWS measurements. When such measurements were not available close to the glacier, the empirical model performed better. Our results suggest that simulations of the evolution of future mass balance using an energy balance model require very accurate meteorological data. Given the uncertainties in the temporal evolution of the relevant meteorological variables and glacier surface properties in the future, empirical approaches based on temperature and precipitation could be more appropriate for simulations of glaciers in the future.

On the use of satellite-based estimates of rainfall temporal distribution to simulate the potential for malaria transmission in rural Africa

NASA Astrophysics Data System (ADS)

Yamana, Teresa K.; Eltahir, Elfatih A. B.

2011-02-01

This paper describes the use of satellite-based estimates of rainfall to force the Hydrology, Entomology and Malaria Transmission Simulator (HYDREMATS), a hydrology-based mechanistic model of malaria transmission. We first examined the temporal resolution of rainfall input required by HYDREMATS. Simulations conducted over Banizoumbou village in Niger showed that for reasonably accurate simulation of mosquito populations, the model requires rainfall data with at least 1 h resolution. We then investigated whether HYDREMATS could be effectively forced by satellite-based estimates of rainfall instead of ground-based observations. The Climate Prediction Center morphing technique (CMORPH) precipitation estimates distributed by the National Oceanic and Atmospheric Administration are available at a 30 min temporal resolution and 8 km spatial resolution. We compared mosquito populations simulated by HYDREMATS when the model is forced by adjusted CMORPH estimates and by ground observations. The results demonstrate that adjusted rainfall estimates from satellites can be used with a mechanistic model to accurately simulate the dynamics of mosquito populations.

Estimation of the uncertainty of a climate model using an ensemble simulation

NASA Astrophysics Data System (ADS)

Barth, A.; Mathiot, P.; Goosse, H.

2012-04-01

The atmospheric forcings play an important role in the study of the ocean and sea-ice dynamics of the Southern Ocean. Error in the atmospheric forcings will inevitably result in uncertain model results. The sensitivity of the model results to errors in the atmospheric forcings are studied with ensemble simulations using multivariate perturbations of the atmospheric forcing fields. The numerical ocean model used is the NEMO-LIM in a global configuration with an horizontal resolution of 2°. NCEP reanalyses are used to provide air temperature and wind data to force the ocean model over the last 50 years. A climatological mean is used to prescribe relative humidity, cloud cover and precipitation. In a first step, the model results is compared with OSTIA SST and OSI SAF sea ice concentration of the southern hemisphere. The seasonal behavior of the RMS difference and bias in SST and ice concentration is highlighted as well as the regions with relatively high RMS errors and biases such as the Antarctic Circumpolar Current and near the ice-edge. Ensemble simulations are performed to statistically characterize the model error due to uncertainties in the atmospheric forcings. Such information is a crucial element for future data assimilation experiments. Ensemble simulations are performed with perturbed air temperature and wind forcings. A Fourier decomposition of the NCEP wind vectors and air temperature for 2007 is used to generate ensemble perturbations. The perturbations are scaled such that the resulting ensemble spread matches approximately the RMS differences between the satellite SST and sea ice concentration. The ensemble spread and covariance are analyzed for the minimum and maximum sea ice extent. It is shown that errors in the atmospheric forcings can extend to several hundred meters in depth near the Antarctic Circumpolar Current.

Modified two-layer social force model for emergency earthquake evacuation

NASA Astrophysics Data System (ADS)

Zhang, Hao; Liu, Hong; Qin, Xin; Liu, Baoxi

2018-02-01

Studies of crowd behavior with related research on computer simulation provide an effective basis for architectural design and effective crowd management. Based on low-density group organization patterns, a modified two-layer social force model is proposed in this paper to simulate and reproduce a group gathering process. First, this paper studies evacuation videos from the Luan'xian earthquake in 2012, and extends the study of group organization patterns to a higher density. Furthermore, taking full advantage of the strength in crowd gathering simulations, a new method on grouping and guidance is proposed while using crowd dynamics. Second, a real-life grouping situation in earthquake evacuation is simulated and reproduced. Comparing with the fundamental social force model and existing guided crowd model, the modified model reduces congestion time and truly reflects group behaviors. Furthermore, the experiment result also shows that a stable group pattern and a suitable leader could decrease collision and allow a safer evacuation process.

Modelling, simulation and applications of longitudinal train dynamics

NASA Astrophysics Data System (ADS)

Cole, Colin; Spiryagin, Maksym; Wu, Qing; Sun, Yan Quan

2017-10-01

Significant developments in longitudinal train simulation and an overview of the approaches to train models and modelling vehicle force inputs are firstly presented. The most important modelling task, that of the wagon connection, consisting of energy absorption devices such as draft gears and buffers, draw gear stiffness, coupler slack and structural stiffness is then presented. Detailed attention is given to the modelling approaches for friction wedge damped and polymer draft gears. A significant issue in longitudinal train dynamics is the modelling and calculation of the input forces - the co-dimensional problem. The need to push traction performances higher has led to research and improvement in the accuracy of traction modelling which is discussed. A co-simulation method that combines longitudinal train simulation, locomotive traction control and locomotive vehicle dynamics is presented. The modelling of other forces, braking propulsion resistance, curve drag and grade forces are also discussed. As extensions to conventional longitudinal train dynamics, lateral forces and coupler impacts are examined in regards to interaction with wagon lateral and vertical dynamics. Various applications of longitudinal train dynamics are then presented. As an alternative to the tradition single wagon mass approach to longitudinal train dynamics, an example incorporating fully detailed wagon dynamics is presented for a crash analysis problem. Further applications of starting traction, air braking, distributed power, energy analysis and tippler operation are also presented.

Computational simulation of biomolecules transport with multi-physics near microchannel surface for development of biomolecules-detection devices.

PubMed

Suzuki, Yuma; Shimizu, Tetsuhide; Yang, Ming

2017-01-01

The quantitative evaluation of the biomolecules transport with multi-physics in nano/micro scale is demanded in order to optimize the design of microfluidics device for the biomolecules detection with high detection sensitivity and rapid diagnosis. This paper aimed to investigate the effectivity of the computational simulation using the numerical model of the biomolecules transport with multi-physics near a microchannel surface on the development of biomolecules-detection devices. The biomolecules transport with fluid drag force, electric double layer (EDL) force, and van der Waals force was modeled by Newtonian Equation of motion. The model validity was verified in the influence of ion strength and flow velocity on biomolecules distribution near the surface compared with experimental results of previous studies. The influence of acting forces on its distribution near the surface was investigated by the simulation. The trend of its distribution to ion strength and flow velocity was agreement with the experimental result by the combination of all acting forces. Furthermore, EDL force dominantly influenced its distribution near its surface compared with fluid drag force except for the case of high velocity and low ion strength. The knowledges from the simulation might be useful for the design of biomolecules-detection devices and the simulation can be expected to be applied on its development as the design tool for high detection sensitivity and rapid diagnosis in the future.

A new algorithm for modeling friction in dynamic mechanical systems

NASA Technical Reports Server (NTRS)

Hill, R. E.

1988-01-01

A method of modeling friction forces that impede the motion of parts of dynamic mechanical systems is described. Conventional methods in which the friction effect is assumed a constant force, or torque, in a direction opposite to the relative motion, are applicable only to those cases where applied forces are large in comparison to the friction, and where there is little interest in system behavior close to the times of transitions through zero velocity. An algorithm is described that provides accurate determination of friction forces over a wide range of applied force and velocity conditions. The method avoids the simulation errors resulting from a finite integration interval used in connection with a conventional friction model, as is the case in many digital computer-based simulations. The algorithm incorporates a predictive calculation based on initial conditions of motion, externally applied forces, inertia, and integration step size. The predictive calculation in connection with an external integration process provides an accurate determination of both static and Coulomb friction forces and resulting motions in dynamic simulations. Accuracy of the results is improved over that obtained with conventional methods and a relatively large integration step size is permitted. A function block for incorporation in a specific simulation program is described. The general form of the algorithm facilitates implementation with various programming languages such as FORTRAN or C, as well as with other simulation programs.

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.

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.

The simulation and experimental validation on gas-solid two phase flow in the riser of a dense fluidized bed

NASA Astrophysics Data System (ADS)

Wang, Xue-Yao; Jiang, Fan; Xu, Xiang; Wang, Sheng-Dian; Fan, Bao-Guo; Xiao, Yun-Han

2009-06-01

Gas-solid flow in dense CFB (circulating fluidized bed)) riser under the operating condition, superficial gas 15.5 m/s and solid flux 140 kg/m2s using Geldart B particles (sand) was investigated by experiments and CFD (computational fluid dynamics) simulation. The overall and local flow characteristics are determined using the axial pressure profiles and solid concentration profiles. The cold experimental results indicate that the axial solid concentration distribution contains a dilute region towards the up-middle zone and a dense region near the bottom and the top exit zones. The typical core-annulus structure and the back-mixing phenomenon near the wall of the riser can be observed. In addition, owing to the key role of the drag force of gas-solid phase, a revised drag force coefficient, based on the EMMS (energy-minimization multi-scale) model which can depict the heterogeneous character of gas-solid two phase flow, was proposed and coupled into the CFD control equations. In order to find an appropriate drag force model for the simulation of dense CFB riser, not only the revised drag force model but some other kinds of drag force model were used in the CFD. The flow structure, solid concentration, clusters phenomenon, fluctuation of two phases and axial pressure drop were analyzed. By comparing the experiment with the simulation, the results predicted by the EMMS drag model showed a better agreement with the experimental axial average pressure drop and apparent solid volume fraction, which proves that the revised drag force based on the EMMS model is an appropriate model for the dense CFB simulation.

Reduction of vibration forces transmitted from a radiator cooling fan to a vehicle body

NASA Astrophysics Data System (ADS)

Lim, Jonghyuk; Sim, Woojeong; Yun, Seen; Lee, Dongkon; Chung, Jintai

2018-04-01

This article presents methods for reducing transmitted vibration forces caused by mass unbalance of the radiator cooling fan during vehicle idling. To identify the effects of mass unbalance upon the vibration characteristics, vibration signals of the fan blades were experimentally measured both with and without an added mass. For analyzing the vibration forces transmitted to the vehicle body, a dynamic simulation model was established that reflected the vibration characteristics of the actual system. This process included a method described herein for calculating the equivalent stiffness and the equivalent damping of the shroud stators and rubber mountings. The dynamic simulation model was verified by comparing its results with experimental results of the radiator cooling fan. The dynamic simulation model was used to analyze the transmitted vibration forces at the rubber mountings. Also, a measure was established to evaluate the effects of varying the design parameters upon the transmitted vibration forces. We present design guidelines based on these analyses to reduce the transmitted vibration forces of the radiator cooling fan.

Thermodynamic properties for applications in chemical industry via classical force fields.

PubMed

Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

2012-01-01

Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.

PubMed

Kim, Seonghoon; Lee, Jumin; Jo, Sunhwan; Brooks, Charles L; Lee, Hui Sun; Im, Wonpil

2017-06-05

Reading ligand structures into any simulation program is often nontrivial and time consuming, especially when the force field parameters and/or structure files of the corresponding molecules are not available. To address this problem, we have developed Ligand Reader & Modeler in CHARMM-GUI. Users can upload ligand structure information in various forms (using PDB ID, ligand ID, SMILES, MOL/MOL2/SDF file, or PDB/mmCIF file), and the uploaded structure is displayed on a sketchpad for verification and further modification. Based on the displayed structure, Ligand Reader & Modeler generates the ligand force field parameters and necessary structure files by searching for the ligand in the CHARMM force field library or using the CHARMM general force field (CGenFF). In addition, users can define chemical substitution sites and draw substituents in each site on the sketchpad to generate a set of combinatorial structure files and corresponding force field parameters for throughput or alchemical free energy simulations. Finally, the output from Ligand Reader & Modeler can be used in other CHARMM-GUI modules to build a protein-ligand simulation system for all supported simulation programs, such as CHARMM, NAMD, GROMACS, AMBER, GENESIS, LAMMPS, Desmond, OpenMM, and CHARMM/OpenMM. Ligand Reader & Modeler is available as a functional module of CHARMM-GUI at http://www.charmm-gui.org/input/ligandrm. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Simulation and Sensitivity in a Nested Modeling System for South America. Part II: GCM Boundary Forcing.

NASA Astrophysics Data System (ADS)

Rojas, Maisa; Seth, Anji

2003-08-01

of this study, the RegCM's ability to simulate circulation and rainfall observed in the two extreme seasons was demonstrated when driven at the lateral boundaries by reanalyzed forcing. Seasonal integrations with the RegCM driven by GCM ensemble-derived lateral boundary forcing demonstrate that the nested model responds well to the SST forcing, by capturing the major features of the circulation and rainfall differences between the two years. The GCM-driven model also improves upon the monthly evolution of rainfall compared with that from the GCM. However, the nested model rainfall simulations for the two seasons are degraded compared with those from the reanalyses-driven RegCM integrations. The poor location of the Atlantic intertropical convergence zone (ITCZ) in the GCM leads to excess rainfall in Nordeste in the nested model.An expanded domain was tested, wherein the RegCM was permitted more internal freedom to respond to SST and regional orographic forcing. Results show that the RegCM is able to improve the location of the ITCZ, and the seasonal evolution of rainfall in Nordeste, the Amazon region, and the southeastern region of Brazil. However, it remains that the limiting factor in the skill of the nested modeling system is the quality of the lateral boundary forcing provided by the global model.

Analysis of the sEMG/force relationship using HD-sEMG technique and data fusion: A simulation study.

PubMed

Al Harrach, Mariam; Carriou, Vincent; Boudaoud, Sofiane; Laforet, Jeremy; Marin, Frederic

2017-04-01

The relationship between the surface Electromyogram (sEMG) signal and the force of an individual muscle is still ambiguous due to the complexity of experimental evaluation. However, understanding this relationship should be useful for the assessment of neuromuscular system in healthy and pathological contexts. In this study, we present a global investigation of the factors governing the shape of this relationship. Accordingly, we conducted a focused sensitivity analysis of the sEMG/force relationship form with respect to neural, functional and physiological parameters variation. For this purpose, we used a fast generation cylindrical model for the simulation of an 8×8 High Density-sEMG (HD-sEMG) grid and a twitch based force model for the muscle force generation. The HD-sEMG signals as well as the corresponding force signals were simulated in isometric non-fatiguing conditions and were based on the Biceps Brachii (BB) muscle properties. A total of 10 isometric constant contractions of 5s were simulated for each configuration of parameters. The Root Mean Squared (RMS) value was computed in order to quantify the sEMG amplitude. Then, an image segmentation method was used for data fusion of the 8×8 RMS maps. In addition, a comparative study between recent modeling propositions and the model proposed in this study is presented. The evaluation was made by computing the Normalized Root Mean Squared Error (NRMSE) of their fitting to the simulated relationship functions. Our results indicated that the relationship between the RMS (mV) and muscle force (N) can be modeled using a 3rd degree polynomial equation. Moreover, it appears that the obtained coefficients are patient-specific and dependent on physiological, anatomical and neural parameters. Copyright © 2017 Elsevier Ltd. All rights reserved.

Information driving force and its application in agent-based modeling

NASA Astrophysics Data System (ADS)

Chen, Ting-Ting; Zheng, Bo; Li, Yan; Jiang, Xiong-Fei

2018-04-01

Exploring the scientific impact of online big-data has attracted much attention of researchers from different fields in recent years. Complex financial systems are typical open systems profoundly influenced by the external information. Based on the large-scale data in the public media and stock markets, we first define an information driving force, and analyze how it affects the complex financial system. The information driving force is observed to be asymmetric in the bull and bear market states. As an application, we then propose an agent-based model driven by the information driving force. Especially, all the key parameters are determined from the empirical analysis rather than from statistical fitting of the simulation results. With our model, both the stationary properties and non-stationary dynamic behaviors are simulated. Considering the mean-field effect of the external information, we also propose a few-body model to simulate the financial market in the laboratory.

Optimization of a Nucleic Acids united-RESidue 2-Point model (NARES-2P) with a maximum-likelihood approach

NASA Astrophysics Data System (ADS)

He, Yi; Liwo, Adam; Scheraga, Harold A.

2015-12-01

Coarse-grained models are useful tools to investigate the structural and thermodynamic properties of biomolecules. They are obtained by merging several atoms into one interaction site. Such simplified models try to capture as much as possible information of the original biomolecular system in all-atom representation but the resulting parameters of these coarse-grained force fields still need further optimization. In this paper, a force field optimization method, which is based on maximum-likelihood fitting of the simulated to the experimental conformational ensembles and least-squares fitting of the simulated to the experimental heat-capacity curves, is applied to optimize the Nucleic Acid united-RESidue 2-point (NARES-2P) model for coarse-grained simulations of nucleic acids recently developed in our laboratory. The optimized NARES-2P force field reproduces the structural and thermodynamic data of small DNA molecules much better than the original force field.

Deformation of Soft Tissue and Force Feedback Using the Smoothed Particle Hydrodynamics

PubMed Central

Liu, Xuemei; Wang, Ruiyi; Li, Yunhua; Song, Dongdong

2015-01-01

We study the deformation and haptic feedback of soft tissue in virtual surgery based on a liver model by using a force feedback device named PHANTOM OMNI developed by SensAble Company in USA. Although a significant amount of research efforts have been dedicated to simulating the behaviors of soft tissue and implementing force feedback, it is still a challenging problem. This paper introduces a kind of meshfree method for deformation simulation of soft tissue and force computation based on viscoelastic mechanical model and smoothed particle hydrodynamics (SPH). Firstly, viscoelastic model can present the mechanical characteristics of soft tissue which greatly promotes the realism. Secondly, SPH has features of meshless technique and self-adaption, which supply higher precision than methods based on meshes for force feedback computation. Finally, a SPH method based on dynamic interaction area is proposed to improve the real time performance of simulation. The results reveal that SPH methodology is suitable for simulating soft tissue deformation and force feedback calculation, and SPH based on dynamic local interaction area has a higher computational efficiency significantly compared with usual SPH. Our algorithm has a bright prospect in the area of virtual surgery. PMID:26417380

Dynamic model of the force driving kinesin to move along microtubule-Simulation with a model system

NASA Astrophysics Data System (ADS)

Chou, Y. C.; Hsiao, Yi-Feng; To, Kiwing

2015-09-01

A dynamic model for the motility of kinesin, including stochastic-force generation and step formation is proposed. The force driving the motion of kinesin motor is generated by the impulse from the collision between the randomly moving long-chain stalk and the ratchet-shaped outer surface of microtubule. Most of the dynamical and statistical features of the motility of kinesin are reproduced in a simulation system, with (a) ratchet structures similar to the outer surface of microtubule, (b) a bead chain connected to two heads, similarly to the stalk of the real kinesin motor, and (c) the interaction between the heads of the simulated kinesin and microtubule. We also propose an experiment to discriminate between the conventional hand-over-hand model and the dynamic model.

Numerical simulation of hull curved plate forming by electromagnetic force assisted line heating

NASA Astrophysics Data System (ADS)

Wang, Ji; Wang, Shun; Liu, Yujun; Li, Rui; Liu, xiao

2017-11-01

Line heating is a common method in shipyards for forming of hull curved plate. The aluminum alloy plate is widely used in shipbuilding. To solve the problem of thick aluminum alloy plate forming with complex curved surface, a new technology named electromagnetic force assisted line heating(EFALH) was proposed in this paper. The FEM model of EFALH was established and the effect of electromagnetic force assisted forming was verified by self development equipment. Firstly, the solving idea of numerical simulation for EFALH was illustrated. Then, the coupled numerical simulation model of multi physical fields were established. Lastly, the reliability of the numerical simulation model was verified by comparing the experimental data. This paper lays a foundation for solving the forming problems of thick aluminum alloy curved plate in shipbuilding.

Megadroughts in Southwestern North America in ECHO-G Millennial Simulations and Their Comparison to Proxy Drought Reconstructions

NASA Technical Reports Server (NTRS)

Coats, Sloan; Smerdon, Jason E.; Seager, Richard; Cook, Benjamin I.; Gozalez-Rouco, J. F.

2013-01-01

Simulated hydroclimate variability in millennium-length forced transient and control simulations from the ECHAM and the global Hamburg Ocean Primitive Equation (ECHO-G) coupled atmosphere-ocean general circulation model (AOGCM) is analyzed and compared to 1000 years of reconstructed Palmer drought severity index (PDSI) variability from the North American Drought Atlas (NADA). The ability of the model to simulate megadroughts in the North American southwest is evaluated. (NASW: 25deg42.5degN, 125deg-105degW). Megadroughts in the ECHO-G AOGCM are found to be similar in duration and magnitude to those estimated from the NADA. The droughts in the forced simulation are not, however, temporally synchronous with those in the paleoclimate record, nor are there significant differences between the drought features simulated in the forced and control runs. These results indicate that model-simulated megadroughts can result from internal variability of the modeled climate system rather than as a response to changes in exogenous forcings. Although the ECHO-G AOGCM is capable of simulating megadroughts through persistent La Nina-like conditions in the tropical Pacific, other mechanisms can produce similarly extreme NASW moisture anomalies in the model. In particular, the lack of low-frequency coherence between NASW soil moisture and simulated modes of climate variability like the El Nino-Southern Oscillation, Pacific decadal oscillation, and Atlantic multidecadal oscillation during identified drought periods suggests that stochastic atmospheric variability can contribute significantly to the occurrence of simulated megadroughts in the NASW. These findings indicate that either an expanded paradigm is needed to understand multidecadal hydroclimate variability in the NASW or AOGCMs may incorrectly simulate the strength and/or dynamics of the connection between NASW hydroclimate variability and the tropical Pacific.

Study on magnetic force of electromagnetic levitation circular knitting machine

NASA Astrophysics Data System (ADS)

Wu, X. G.; Zhang, C.; Xu, X. S.; Zhang, J. G.; Yan, N.; Zhang, G. Z.

2018-06-01

The structure of the driving coil and the electromagnetic force of the test prototype of electromagnetic-levitation (EL) circular knitting machine are studied. In this paper, the driving coil’s structure and working principle of the EL circular knitting machine are firstly introduced, then the mathematical modelling analysis of the driving electromagnetic force is carried out, and through the Ansoft Maxwell finite element simulation software the coil’s magnetic induction intensity and the needle’s electromagnetic force is simulated, finally an experimental platform is built to measure the coil’s magnetic induction intensity and the needle’s electromagnetic force. The results show that the theoretical analysis, the simulation analysis and the results of the test are very close, which proves the correctness of the proposed model.

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.

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.

Study on longitudinal force simulation of heavy-haul train

NASA Astrophysics Data System (ADS)

Chang, Chongyi; Guo, Gang; Wang, Junbiao; Ma, Yingming

2017-04-01

The longitudinal dynamics model of heavy-haul trains and air brake model used in the longitudinal train dynamics (LTDs) are established. The dry friction damping hysteretic characteristic of steel friction draft gears is simulated by the equation which describes the suspension forces in truck leaf springs. The model of draft gears introduces dynamic loading force, viscous friction of steel friction and the damping force. Consequently, the numerical model of the draft gears is brought forward. The equation of LTDs is strongly non-linear. In order to solve the response of the strongly non-linear system, the high-precision and equilibrium iteration method based on the Newmark-β method is presented and numerical analysis is made. Longitudinal dynamic forces of the 20,000 tonnes heavy-haul train are tested, and models and solution method provided are verified by the test results.

Improved model of hydrated calcium ion for molecular dynamics simulations using classical biomolecular force fields.

PubMed

Yoo, Jejoong; Wilson, James; Aksimentiev, Aleksei

2016-10-01

Calcium ions (Ca(2+) ) play key roles in various fundamental biological processes such as cell signaling and brain function. Molecular dynamics (MD) simulations have been used to study such interactions, however, the accuracy of the Ca(2+) models provided by the standard MD force fields has not been rigorously tested. Here, we assess the performance of the Ca(2+) models from the most popular classical force fields AMBER and CHARMM by computing the osmotic pressure of model compounds and the free energy of DNA-DNA interactions. In the simulations performed using the two standard models, Ca(2+) ions are seen to form artificial clusters with chloride, acetate, and phosphate species; the osmotic pressure of CaAc2 and CaCl2 solutions is a small fraction of the experimental values for both force fields. Using the standard parameterization of Ca(2+) ions in the simulations of Ca(2+) -mediated DNA-DNA interactions leads to qualitatively wrong outcomes: both AMBER and CHARMM simulations suggest strong inter-DNA attraction whereas, in experiment, DNA molecules repel one another. The artificial attraction of Ca(2+) to DNA phosphate is strong enough to affect the direction of the electric field-driven translocation of DNA through a solid-state nanopore. To address these shortcomings of the standard Ca(2+) model, we introduce a custom model of a hydrated Ca(2+) ion and show that using our model brings the results of the above MD simulations in quantitative agreement with experiment. Our improved model of Ca(2+) can be readily applied to MD simulations of various biomolecular systems, including nucleic acids, proteins and lipid bilayer membranes. © 2016 Wiley Periodicals, Inc. Biopolymers 105: 752-763, 2016. © 2016 Wiley Periodicals, Inc.

A free energy-based surface tension force model for simulation of multiphase flows by level-set method

NASA Astrophysics Data System (ADS)

Yuan, H. Z.; Chen, Z.; Shu, C.; Wang, Y.; Niu, X. D.; Shu, S.

2017-09-01

In this paper, a free energy-based surface tension force (FESF) model is presented for accurately resolving the surface tension force in numerical simulation of multiphase flows by the level set method. By using the analytical form of order parameter along the normal direction to the interface in the phase-field method and the free energy principle, FESF model offers an explicit and analytical formulation for the surface tension force. The only variable in this formulation is the normal distance to the interface, which can be substituted by the distance function solved by the level set method. On one hand, as compared to conventional continuum surface force (CSF) model in the level set method, FESF model introduces no regularized delta function, due to which it suffers less from numerical diffusions and performs better in mass conservation. On the other hand, as compared to the phase field surface tension force (PFSF) model, the evaluation of surface tension force in FESF model is based on an analytical approach rather than numerical approximations of spatial derivatives. Therefore, better numerical stability and higher accuracy can be expected. Various numerical examples are tested to validate the robustness of the proposed FESF model. It turns out that FESF model performs better than CSF model and PFSF model in terms of accuracy, stability, convergence speed and mass conservation. It is also shown in numerical tests that FESF model can effectively simulate problems with high density/viscosity ratio, high Reynolds number and severe topological interfacial changes.

Statistical framework for evaluation of climate model simulations by use of climate proxy data from the last millennium - Part 1: Theory

NASA Astrophysics Data System (ADS)

Sundberg, R.; Moberg, A.; Hind, A.

2012-08-01

A statistical framework for comparing the output of ensemble simulations from global climate models with networks of climate proxy and instrumental records has been developed, focusing on near-surface temperatures for the last millennium. This framework includes the formulation of a joint statistical model for proxy data, instrumental data and simulation data, which is used to optimize a quadratic distance measure for ranking climate model simulations. An essential underlying assumption is that the simulations and the proxy/instrumental series have a shared component of variability that is due to temporal changes in external forcing, such as volcanic aerosol load, solar irradiance or greenhouse gas concentrations. Two statistical tests have been formulated. Firstly, a preliminary test establishes whether a significant temporal correlation exists between instrumental/proxy and simulation data. Secondly, the distance measure is expressed in the form of a test statistic of whether a forced simulation is closer to the instrumental/proxy series than unforced simulations. The proposed framework allows any number of proxy locations to be used jointly, with different seasons, record lengths and statistical precision. The goal is to objectively rank several competing climate model simulations (e.g. with alternative model parameterizations or alternative forcing histories) by means of their goodness of fit to the unobservable true past climate variations, as estimated from noisy proxy data and instrumental observations.

Effects of different regional climate model resolution and forcing scales on projected hydrologic changes

NASA Astrophysics Data System (ADS)

Mendoza, Pablo A.; Mizukami, Naoki; Ikeda, Kyoko; Clark, Martyn P.; Gutmann, Ethan D.; Arnold, Jeffrey R.; Brekke, Levi D.; Rajagopalan, Balaji

2016-10-01

We examine the effects of regional climate model (RCM) horizontal resolution and forcing scaling (i.e., spatial aggregation of meteorological datasets) on the portrayal of climate change impacts. Specifically, we assess how the above decisions affect: (i) historical simulation of signature measures of hydrologic behavior, and (ii) projected changes in terms of annual water balance and hydrologic signature measures. To this end, we conduct our study in three catchments located in the headwaters of the Colorado River basin. Meteorological forcings for current and a future climate projection are obtained at three spatial resolutions (4-, 12- and 36-km) from dynamical downscaling with the Weather Research and Forecasting (WRF) regional climate model, and hydrologic changes are computed using four different hydrologic model structures. These projected changes are compared to those obtained from running hydrologic simulations with current and future 4-km WRF climate outputs re-scaled to 12- and 36-km. The results show that the horizontal resolution of WRF simulations heavily affects basin-averaged precipitation amounts, propagating into large differences in simulated signature measures across model structures. The implications of re-scaled forcing datasets on historical performance were primarily observed on simulated runoff seasonality. We also found that the effects of WRF grid resolution on projected changes in mean annual runoff and evapotranspiration may be larger than the effects of hydrologic model choice, which surpasses the effects from re-scaled forcings. Scaling effects on projected variations in hydrologic signature measures were found to be generally smaller than those coming from WRF resolution; however, forcing aggregation in many cases reversed the direction of projected changes in hydrologic behavior.

A combined averaging and frequency mixing approach for force identification in weakly nonlinear high-Q oscillators: Atomic force microscope

NASA Astrophysics Data System (ADS)

Sah, Si Mohamed; Forchheimer, Daniel; Borgani, Riccardo; Haviland, David

2018-02-01

We present a polynomial force reconstruction of the tip-sample interaction force in Atomic Force Microscopy. The method uses analytical expressions for the slow-time amplitude and phase evolution, obtained from time-averaging over the rapidly oscillating part of the cantilever dynamics. The slow-time behavior can be easily obtained in either the numerical simulations or the experiment in which a high-Q resonator is perturbed by a weak nonlinearity and a periodic driving force. A direct fit of the theoretical expressions to the simulated and experimental data gives the best-fit parameters for the force model. The method combines and complements previous works (Platz et al., 2013; Forchheimer et al., 2012 [2]) and it allows for computationally more efficient parameter mapping with AFM. Results for the simulated asymmetric piecewise linear force and VdW-DMT force models are compared with the reconstructed polynomial force and show a good agreement. It is also shown that the analytical amplitude and phase modulation equations fit well with the experimental data.

Formation of well-mixed warm water column in central Bohai Sea during summer: Role of high-frequency atmospheric forcing

NASA Astrophysics Data System (ADS)

Ma, Weiwei; Wan, Xiuquan; Wang, Zhankun; Liu, Yulong; Wan, Kai

2017-12-01

The influence of high-frequency atmospheric forcing on the formation of a well-mixed summer warm water column in the central Bohai Sea is investigated comparing model simulations driven by daily surface forcing and those using monthly forcing data. In the absence of high-frequency atmospheric forcing, numerical simulations have repeatedly failed to reproduce this vertically uniform column of warm water measured over the past 35 years. However, high-frequency surface forcing is found to strongly influence the structure and distribution of the well-mixed warm water column, and simulations are in good agreement with observations. Results show that high frequency forcing enhances vertical mixing over the central bank, intensifies downward heat transport, and homogenizes the water column to form the Bohai central warm column. Evidence presented shows that high frequency forcing plays a dominant role in the formation of the well-mixed warm water column in summer, even without the effects of tidal and surface wave mixing. The present study thus provides a practical and rational way of further improving the performance of oceanic simulations in the Bohai Sea and can be used to adjust parameterization schemes of ocean models.

Modified social force model based on information transmission toward crowd evacuation simulation

NASA Astrophysics Data System (ADS)

Han, Yanbin; Liu, Hong

2017-03-01

In this paper, the information transmission mechanism is introduced into the social force model to simulate pedestrian behavior in an emergency, especially when most pedestrians are unfamiliar with the evacuation environment. This modified model includes a collision avoidance strategy and an information transmission model that considers information loss. The former is used to avoid collision among pedestrians in a simulation, whereas the latter mainly describes how pedestrians obtain and choose directions appropriate to them. Simulation results show that pedestrians can obtain the correct moving direction through information transmission mechanism and that the modified model can simulate actual pedestrian behavior during an emergency evacuation. Moreover, we have drawn four conclusions to improve evacuation based on the simulation results; and these conclusions greatly contribute in optimizing a number of efficient emergency evacuation schemes for large public places.

Evaluation of large-eddy simulations forced with mesoscale model output for a multi-week period during a measurement campaign

NASA Astrophysics Data System (ADS)

Heinze, Rieke; Moseley, Christopher; Böske, Lennart Nils; Muppa, Shravan Kumar; Maurer, Vera; Raasch, Siegfried; Stevens, Bjorn

2017-06-01

Large-eddy simulations (LESs) of a multi-week period during the HD(CP)2 (High-Definition Clouds and Precipitation for advancing Climate Prediction) Observational Prototype Experiment (HOPE) conducted in Germany are evaluated with respect to mean boundary layer quantities and turbulence statistics. Two LES models are used in a semi-idealized setup through forcing with mesoscale model output to account for the synoptic-scale conditions. Evaluation is performed based on the HOPE observations. The mean boundary layer characteristics like the boundary layer depth are in a principal agreement with observations. Simulating shallow-cumulus layers in agreement with the measurements poses a challenge for both LES models. Variance profiles agree satisfactorily with lidar measurements. The results depend on how the forcing data stemming from mesoscale model output are constructed. The mean boundary layer characteristics become less sensitive if the averaging domain for the forcing is large enough to filter out mesoscale fluctuations.

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

Ozone Sensitivity to Varying Greenhouse Gases and Ozone-Depleting Substances in CCMI-1 Simulations

NASA Technical Reports Server (NTRS)

Morgenstern, Olaf; Stone, Kane A.; Schofield, Robyn; Akiyoshi, Hideharu; Yamashita, Yousuke; Kinnison, Douglas E.; Garcia, Rolando R.; Sudo, Kengo; Plummer, David A.; Scinocca, John;

Ozone sensitivity to varying greenhouse gases and ozone-depleting substances in CCMI-1 simulations

NASA Astrophysics Data System (ADS)

Morgenstern, Olaf; Stone, Kane A.; Schofield, Robyn; Akiyoshi, Hideharu; Yamashita, Yousuke; Kinnison, Douglas E.; Garcia, Rolando R.; Sudo, Kengo; Plummer, David A.; Scinocca, John; Oman, Luke D.; Manyin, Michael E.; Zeng, Guang; Rozanov, Eugene; Stenke, Andrea; Revell, Laura E.; Pitari, Giovanni; Mancini, Eva; Di Genova, Glauco; Visioni, Daniele; Dhomse, Sandip S.; Chipperfield, Martyn P.

2018-01-01

Ozone fields simulated for the first phase of the Chemistry-Climate Model Initiative (CCMI-1) will be used as forcing data in the 6th Coupled Model Intercomparison Project. Here we assess, using reference and sensitivity simulations produced for CCMI-1, the suitability of CCMI-1 model results for this process, investigating the degree of consistency amongst models regarding their responses to variations in individual forcings. We consider the influences of methane, nitrous oxide, a combination of chlorinated or brominated ozone-depleting substances, and a combination of carbon dioxide and other greenhouse gases. We find varying degrees of consistency in the models' responses in ozone to these individual forcings, including some considerable disagreement. In particular, the response of total-column ozone to these forcings is less consistent across the multi-model ensemble than profile comparisons. We analyse how stratospheric age of air, a commonly used diagnostic of stratospheric transport, responds to the forcings. For this diagnostic we find some salient differences in model behaviour, which may explain some of the findings for ozone. The findings imply that the ozone fields derived from CCMI-1 are subject to considerable uncertainties regarding the impacts of these anthropogenic forcings. We offer some thoughts on how to best approach the problem of generating a consensus ozone database from a multi-model ensemble such as CCMI-1.

Modifiying shallow-water equations as a model for wave-vortex turbulence

NASA Astrophysics Data System (ADS)

Mohanan, A. V.; Augier, P.; Lindborg, E.

2017-12-01

The one-layer shallow-water equations is a simple two-dimensional model to study the complex dynamics of the oceans and the atmosphere. We carry out forced-dissipative numerical simulations, either by forcing medium-scale wave modes, or by injecting available potential energy (APE). With pure wave forcing in non-rotating cases, a statistically stationary regime is obtained for a range of forcing Froude numbers Ff = ɛ /(kf c), where ɛ is the energy dissipation rate, kf the forcing wavenumber and c the wave speed. Interestingly, the spectra scale as k-2 and third and higher order structure functions scale as r. Such statistics is a manifestation of shock turbulence or Burgulence, which dominate the flow. Rotating cases exhibit some inverse energy cascade, along with a stronger forward energy cascade, dominated by wave-wave interactions. We also propose two modifications to the classical shallow-water equations to construct a toy model. The properties of the model are explored by forcing in APE at a small and a medium wavenumber. The toy model simulations are then compared with results from shallow-water equations and a full General Circulation Model (GCM) simulation. The most distinctive feature of this model is that, unlike shallow-water equations, it avoids shocks and conserves quadratic energy. In Fig. 1, for the shallow-water equations, shocks appear as thin dark lines in the divergence (∇ .{u}) field, and as discontinuities in potential temperature (θ ) field; whereas only waves appear in the corresponding fields from toy model simulation. Forward energy cascade results in a wave field with k-5/3 spectrum, along with equipartition of KE and APE at small scales. The vortical field develops into a k-3 spectrum. With medium forcing wavenumber, at large scales, energy converted from APE to KE undergoes inverse cascade as a result of nonlinear fluxes composed of vortical modes alone. Gradually, coherent vortices emerge with a strong preference for anticyclonic motion. The model can serve as a closer representation of real geophysical turbulence than the classical shallow-water equations. Fig 1. Divergence and potential temperature fields of shallow-water (top row) and toy model (bottom row) simulations.

Uncertainties of Large-Scale Forcing Caused by Surface Turbulence Flux Measurements and the Impacts on Cloud Simulations at the ARM SGP Site

NASA Astrophysics Data System (ADS)

Tang, S.; Xie, S.; Tang, Q.; Zhang, Y.

2017-12-01

Two types of instruments, the eddy correlation flux measurement system (ECOR) and the energy balance Bowen ratio system (EBBR), are used at the Atmospheric Radiation Measurement (ARM) program Southern Great Plains (SGP) site to measure surface latent and sensible fluxes. ECOR and EBBR typically sample different land surface types, and the domain-mean surface fluxes derived from ECOR and EBBR are not always consistent. The uncertainties of the surface fluxes will have impacts on the derived large-scale forcing data and further affect the simulations of single-column models (SCM), cloud-resolving models (CRM) and large-eddy simulation models (LES), especially for the shallow-cumulus clouds which are mainly driven by surface forcing. This study aims to quantify the uncertainties of the large-scale forcing caused by surface turbulence flux measurements and investigate the impacts on cloud simulations using long-term observations from the ARM SGP site.

Model Predictive Control Based Motion Drive Algorithm for a Driving Simulator

NASA Astrophysics Data System (ADS)

Rehmatullah, Faizan

In this research, we develop a model predictive control based motion drive algorithm for the driving simulator at Toronto Rehabilitation Institute. Motion drive algorithms exploit the limitations of the human vestibular system to formulate a perception of motion within the constrained workspace of a simulator. In the absence of visual cues, the human perception system is unable to distinguish between acceleration and the force of gravity. The motion drive algorithm determines control inputs to displace the simulator platform, and by using the resulting inertial forces and angular rates, creates the perception of motion. By using model predictive control, we can optimize the use of simulator workspace for every maneuver while simulating the vehicle perception. With the ability to handle nonlinear constraints, the model predictive control allows us to incorporate workspace limitations.

Numerical simulation of the observed near-surface East India Coastal Current on the continental slope

NASA Astrophysics Data System (ADS)

Mukherjee, A.; Shankar, D.; Chatterjee, Abhisek; Vinayachandran, P. N.

2018-06-01

We simulate the East India Coastal Current (EICC) using two numerical models (resolution 0.1° × 0.1°), an oceanic general circulation model (OGCM) called Modular Ocean Model and a simpler, linear, continuously stratified (LCS) model, and compare the simulated current with observations from moorings equipped with acoustic Doppler current profilers deployed on the continental slope in the western Bay of Bengal (BoB). We also carry out numerical experiments to analyse the processes. Both models simulate well the annual cycle of the EICC, but the performance degrades for the intra-annual and intraseasonal components. In a model-resolution experiment, both models (run at a coarser resolution of 0.25° × 0.25°) simulate well the currents in the equatorial Indian Ocean (EIO), but the performance of the high-resolution LCS model as well as the coarse-resolution OGCM, which is good in the EICC regime, degrades in the eastern and northern BoB. An experiment on forcing mechanisms shows that the annual EICC is largely forced by the local alongshore winds in the western BoB and remote forcing due to Ekman pumping over the BoB, but forcing from the EIO has a strong impact on the intra-annual EICC. At intraseasonal periods, local (equatorial) forcing dominates in the south (north) because the Kelvin wave propagates equatorward in the western BoB. A stratification experiment with the LCS model shows that changing the background stratification from EIO to BoB leads to a stronger surface EICC owing to strong coupling of higher order vertical modes with wind forcing for the BoB profiles. These high-order modes, which lead to energy propagating down into the ocean in the form of beams, are important only for the current and do not contribute significantly to the sea level.

Comparison of simulated and reconstructed variations in East African hydroclimate over the last millennium

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

Klein, Francois; Goosse, Hugues; Graham, Nicholas E.

The multi-decadal to centennial hydroclimate changes in East Africa over the last millennium are studied by comparing the results of forced transient simulations by six general circulation models (GCMs) with published hydroclimate reconstructions from four lakes: Challa and Naivasha in equatorial East Africa, and Masoko and Malawi in southeastern inter-tropical Africa. All GCMs simulate fairly well the unimodal seasonal cycle of precipitation in the Masoko–Malawi region, while the bimodal seasonal cycle characterizing the Challa–Naivasha region is generally less well captured by most models. Model results and lake-based hydroclimate reconstructions display very different temporal patterns over the last millennium. Additionally, theremore » is no common signal among the model time series, at least until 1850. This suggests that simulated hydroclimate fluctuations are mostly driven by internal variability rather than by common external forcing. After 1850, half of the models simulate a relatively clear response to forcing, but this response is different between the models. Overall, the link between precipitation and tropical sea surface temperatures (SSTs) over the pre-industrial portion of the last millennium is stronger and more robust for the Challa–Naivasha region than for the Masoko–Malawi region. At the inter-annual timescale, last-millennium Challa–Naivasha precipitation is positively (negatively) correlated with western (eastern) Indian Ocean SST, while the influence of the Pacific Ocean appears weak and unclear. Although most often not significant, the same pattern of correlations between East African rainfall and the Indian Ocean SST is still visible when using the last-millennium time series smoothed to highlight centennial variability, but only in fixed-forcing simulations. Furthermore, this means that, at the centennial timescale, the effect of (natural) climate forcing can mask the imprint of internal climate variability in large-scale teleconnections.« less

Comparison of simulated and reconstructed variations in East African hydroclimate over the last millennium

DOE PAGES

Klein, Francois; Goosse, Hugues; Graham, Nicholas E.; ...

2016-07-13

The multi-decadal to centennial hydroclimate changes in East Africa over the last millennium are studied by comparing the results of forced transient simulations by six general circulation models (GCMs) with published hydroclimate reconstructions from four lakes: Challa and Naivasha in equatorial East Africa, and Masoko and Malawi in southeastern inter-tropical Africa. All GCMs simulate fairly well the unimodal seasonal cycle of precipitation in the Masoko–Malawi region, while the bimodal seasonal cycle characterizing the Challa–Naivasha region is generally less well captured by most models. Model results and lake-based hydroclimate reconstructions display very different temporal patterns over the last millennium. Additionally, theremore » is no common signal among the model time series, at least until 1850. This suggests that simulated hydroclimate fluctuations are mostly driven by internal variability rather than by common external forcing. After 1850, half of the models simulate a relatively clear response to forcing, but this response is different between the models. Overall, the link between precipitation and tropical sea surface temperatures (SSTs) over the pre-industrial portion of the last millennium is stronger and more robust for the Challa–Naivasha region than for the Masoko–Malawi region. At the inter-annual timescale, last-millennium Challa–Naivasha precipitation is positively (negatively) correlated with western (eastern) Indian Ocean SST, while the influence of the Pacific Ocean appears weak and unclear. Although most often not significant, the same pattern of correlations between East African rainfall and the Indian Ocean SST is still visible when using the last-millennium time series smoothed to highlight centennial variability, but only in fixed-forcing simulations. Furthermore, this means that, at the centennial timescale, the effect of (natural) climate forcing can mask the imprint of internal climate variability in large-scale teleconnections.« less

Dynamic simulation of knee-joint loading during gait using force-feedback control and surrogate contact modelling.

PubMed

Walter, Jonathan P; Pandy, Marcus G

2017-10-01

The aim of this study was to perform multi-body, muscle-driven, forward-dynamics simulations of human gait using a 6-degree-of-freedom (6-DOF) model of the knee in tandem with a surrogate model of articular contact and force control. A forward-dynamics simulation incorporating position, velocity and contact force-feedback control (FFC) was used to track full-body motion capture data recorded for multiple trials of level walking and stair descent performed by two individuals with instrumented knee implants. Tibiofemoral contact force errors for FFC were compared against those obtained from a standard computed muscle control algorithm (CMC) with a 6-DOF knee contact model (CMC6); CMC with a 1-DOF translating hinge-knee model (CMC1); and static optimization with a 1-DOF translating hinge-knee model (SO). Tibiofemoral joint loads predicted by FFC and CMC6 were comparable for level walking, however FFC produced more accurate results for stair descent. SO yielded reasonable predictions of joint contact loading for level walking but significant differences between model and experiment were observed for stair descent. CMC1 produced the least accurate predictions of tibiofemoral contact loads for both tasks. Our findings suggest that reliable estimates of knee-joint loading may be obtained by incorporating position, velocity and force-feedback control with a multi-DOF model of joint contact in a forward-dynamics simulation of gait. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

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.

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

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.

The PMIP4 contribution to CMIP6 - Part 3: The last millennium, scientific objective, and experimental design for the PMIP4 past1000 simulations

NASA Astrophysics Data System (ADS)

Jungclaus, Johann H.; Bard, Edouard; Baroni, Mélanie; Braconnot, Pascale; Cao, Jian; Chini, Louise P.; Egorova, Tania; Evans, Michael; Fidel González-Rouco, J.; Goosse, Hugues; Hurtt, George C.; Joos, Fortunat; Kaplan, Jed O.; Khodri, Myriam; Klein Goldewijk, Kees; Krivova, Natalie; LeGrande, Allegra N.; Lorenz, Stephan J.; Luterbacher, Jürg; Man, Wenmin; Maycock, Amanda C.; Meinshausen, Malte; Moberg, Anders; Muscheler, Raimund; Nehrbass-Ahles, Christoph; Otto-Bliesner, Bette I.; Phipps, Steven J.; Pongratz, Julia; Rozanov, Eugene; Schmidt, Gavin A.; Schmidt, Hauke; Schmutz, Werner; Schurer, Andrew; Shapiro, Alexander I.; Sigl, Michael; Smerdon, Jason E.; Solanki, Sami K.; Timmreck, Claudia; Toohey, Matthew; Usoskin, Ilya G.; Wagner, Sebastian; Wu, Chi-Ju; Leng Yeo, Kok; Zanchettin, Davide; Zhang, Qiong; Zorita, Eduardo

2017-11-01

The pre-industrial millennium is among the periods selected by the Paleoclimate Model Intercomparison Project (PMIP) for experiments contributing to the sixth phase of the Coupled Model Intercomparison Project (CMIP6) and the fourth phase of the PMIP (PMIP4). The past1000 transient simulations serve to investigate the response to (mainly) natural forcing under background conditions not too different from today, and to discriminate between forced and internally generated variability on interannual to centennial timescales. This paper describes the motivation and the experimental set-ups for the PMIP4-CMIP6 past1000 simulations, and discusses the forcing agents orbital, solar, volcanic, and land use/land cover changes, and variations in greenhouse gas concentrations. The past1000 simulations covering the pre-industrial millennium from 850 Common Era (CE) to 1849 CE have to be complemented by historical simulations (1850 to 2014 CE) following the CMIP6 protocol. The external forcings for the past1000 experiments have been adapted to provide a seamless transition across these time periods. Protocols for the past1000 simulations have been divided into three tiers. A default forcing data set has been defined for the Tier 1 (the CMIP6 past1000) experiment. However, the PMIP community has maintained the flexibility to conduct coordinated sensitivity experiments to explore uncertainty in forcing reconstructions as well as parameter uncertainty in dedicated Tier 2 simulations. Additional experiments (Tier 3) are defined to foster collaborative model experiments focusing on the early instrumental period and to extend the temporal range and the scope of the simulations. This paper outlines current and future research foci and common analyses for collaborative work between the PMIP and the observational communities (reconstructions, instrumental data).

Understanding Resonance Graphs Using Easy Java Simulations (EJS) and Why We Use EJS

ERIC Educational Resources Information Center

Wee, Loo Kang; Lee, Tat Leong; Chew, Charles; Wong, Darren; Tan, Samuel

2015-01-01

This paper reports a computer model simulation created using Easy Java Simulation (EJS) for learners to visualize how the steady-state amplitude of a driven oscillating system varies with the frequency of the periodic driving force. The simulation shows (N = 100) identical spring-mass systems being subjected to (1) a periodic driving force of…

Assessment of a flow-through balance for hypersonic wind tunnel models with scramjet exhaust flow simulation

NASA Technical Reports Server (NTRS)

Huebner, Lawrence D.; Kniskern, Marc W.; Monta, William J.

1993-01-01

The purpose of this investigation were twofold: first, to determine whether accurate force and moment data could be obtained during hypersonic wind tunnel tests of a model with a scramjet exhaust flow simulation that uses a representative nonwatercooled, flow-through balance; second, to analyze temperature time histories on various parts of the balance to address thermal effects on force and moment data. The tests were conducted in the NASA Langley Research Center 20-Inch Mach 6 Wind Tunnel at free-stream Reynolds numbers ranging from 0.5 to 7.4 x 10(exp 6)/ft and nominal angles of attack of -3.5 deg, 0 deg, and 5 deg. The simulant exhaust gases were cold air, hot air, and a mixture of 50 percent Argon and 50 percent Freon by volume, which reached stagnation temperatures within the balance of 111, 214, and 283 F, respectively. All force and moment values were unaffected by the balance thermal response from exhaust gas simulation and external aerodynamic heating except for axial-force measurements, which were significantly affected by balance heating. This investigation showed that for this model at the conditions tested, a nonwatercooled, flow-through balance is not suitable for axial-force measurements during scramjet exhaust flow simulation tests at hypersonic speeds. In general, heated exhaust gas may produce unacceptable force and moment uncertainties when used with thermally sensitive balances.

cellGPU: Massively parallel simulations of dynamic vertex models

NASA Astrophysics Data System (ADS)

Sussman, Daniel M.

2017-10-01

Vertex models represent confluent tissue by polygonal or polyhedral tilings of space, with the individual cells interacting via force laws that depend on both the geometry of the cells and the topology of the tessellation. This dependence on the connectivity of the cellular network introduces several complications to performing molecular-dynamics-like simulations of vertex models, and in particular makes parallelizing the simulations difficult. cellGPU addresses this difficulty and lays the foundation for massively parallelized, GPU-based simulations of these models. This article discusses its implementation for a pair of two-dimensional models, and compares the typical performance that can be expected between running cellGPU entirely on the CPU versus its performance when running on a range of commercial and server-grade graphics cards. By implementing the calculation of topological changes and forces on cells in a highly parallelizable fashion, cellGPU enables researchers to simulate time- and length-scales previously inaccessible via existing single-threaded CPU implementations. Program Files doi:http://dx.doi.org/10.17632/6j2cj29t3r.1 Licensing provisions: MIT Programming language: CUDA/C++ Nature of problem: Simulations of off-lattice "vertex models" of cells, in which the interaction forces depend on both the geometry and the topology of the cellular aggregate. Solution method: Highly parallelized GPU-accelerated dynamical simulations in which the force calculations and the topological features can be handled on either the CPU or GPU. Additional comments: The code is hosted at https://gitlab.com/dmsussman/cellGPU, with documentation additionally maintained at http://dmsussman.gitlab.io/cellGPUdocumentation

Data-Driven Modeling and Rendering of Force Responses from Elastic Tool Deformation

PubMed Central

Rakhmatov, Ruslan; Ogay, Tatyana; Jeon, Seokhee

2018-01-01

This article presents a new data-driven model design for rendering force responses from elastic tool deformation. The new design incorporates a six-dimensional input describing the initial position of the contact, as well as the state of the tool deformation. The input-output relationship of the model was represented by a radial basis functions network, which was optimized based on training data collected from real tool-surface contact. Since the input space of the model is represented in the local coordinate system of a tool, the model is independent of recording and rendering devices and can be easily deployed to an existing simulator. The model also supports complex interactions, such as self and multi-contact collisions. In order to assess the proposed data-driven model, we built a custom data acquisition setup and developed a proof-of-concept rendering simulator. The simulator was evaluated through numerical and psychophysical experiments with four different real tools. The numerical evaluation demonstrated the perceptual soundness of the proposed model, meanwhile the user study revealed the force feedback of the proposed simulator to be realistic. PMID:29342964

Analysis of Gas-Particle Flows through Multi-Scale Simulations

NASA Astrophysics Data System (ADS)

Gu, Yile

Multi-scale structures are inherent in gas-solid flows, which render the modeling efforts challenging. On one hand, detailed simulations where the fine structures are resolved and particle properties can be directly specified can account for complex flow behaviors, but they are too computationally expensive to apply for larger systems. On the other hand, coarse-grained simulations demand much less computations but they necessitate constitutive models which are often not readily available for given particle properties. The present study focuses on addressing this issue, as it seeks to provide a general framework through which one can obtain the required constitutive models from detailed simulations. To demonstrate the viability of this general framework in which closures can be proposed for different particle properties, we focus on the van der Waals force of interaction between particles. We start with Computational Fluid Dynamics (CFD) - Discrete Element Method (DEM) simulations where the fine structures are resolved and van der Waals force between particles can be directly specified, and obtain closures for stress and drag that are required for coarse-grained simulations. Specifically, we develop a new cohesion model that appropriately accounts for van der Waals force between particles to be used for CFD-DEM simulations. We then validate this cohesion model and the CFD-DEM approach by showing that it can qualitatively capture experimental results where the addition of small particles to gas fluidization reduces bubble sizes. Based on the DEM and CFD-DEM simulation results, we propose stress models that account for the van der Waals force between particles. Finally, we apply machine learning, specifically neural networks, to obtain a drag model that captures the effects from fine structures and inter-particle cohesion. We show that this novel approach using neural networks, which can be readily applied for other closures other than drag here, can take advantage of the large amount of data generated from simulations, and therefore offer superior modeling performance over traditional approaches.

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

Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins.

PubMed

Li, Min; Zhang, John Z H

2017-03-08

The development of polarizable water models at coarse-grained (CG) levels is of much importance to CG molecular dynamics simulations of large biomolecular systems. In this work, we combined the newly developed two-bead multipole force field (TMFF) for proteins with the two-bead polarizable water models to carry out CG molecular dynamics simulations for benchmark proteins. In our simulations, two different two-bead polarizable water models are employed, the RTPW model representing five water molecules by Riniker et al. and the LTPW model representing four water molecules. The LTPW model is developed in this study based on the Martini three-bead polarizable water model. Our simulation results showed that the combination of TMFF with the LTPW model significantly stabilizes the protein's native structure in CG simulations, while the use of the RTPW model gives better agreement with all-atom simulations in predicting the residue-level fluctuation dynamics. Overall, the TMFF coupled with the two-bead polarizable water models enables one to perform an efficient and reliable CG dynamics study of the structural and functional properties of large biomolecules.

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.

Climate and carbon cycle dynamics in a CESM simulation from 850-2100 CE

NASA Astrophysics Data System (ADS)

Lehner, F.; Joos, F.; Raible, C. C.; Mignot, J.; Born, A.; Keller, K. M.; Stocker, T. F.

2015-02-01

Under the protocols of the Paleoclimate and Coupled Modelling Intercomparison Projects a number of simulations were produced that provide a range of potential climate evolutions from the last millennium to the end of the current century. Here, we present the first simulation with the Community Earth System Model (CESM), which includes an interactive carbon cycle, that continuously covers the last millennium, the historical period, and the twenty-first century. Besides state-of-the-art forcing reconstructions, we apply a modified reconstruction of total solar irradiance to shed light on the issue of forcing uncertainty in the context of the last millennium. Nevertheless, we find that structural uncertainties between different models can still dominate over forcing uncertainty for quantities such as hemispheric temperatures or the land and ocean carbon cycle response. Comparing with other model simulations we find forced decadal-scale variability to occur mainly after volcanic eruptions, while during other periods internal variability masks potentially forced signals and calls for larger ensembles in paleoclimate modeling studies. At the same time, we fail to attribute millennial temperature trends to orbital forcing, as has been suggested recently. The climate-carbon cycle sensitivity in CESM during the last millennium is estimated to be about 1.3 ppm °C-1. However, the dependence of this sensitivity on the exact time period and scale illustrates the prevailing challenge of deriving robust constrains on this quantity from paleoclimate proxies. In particular, the response of the land carbon cycle to volcanic forcing shows fundamental differences between different models. In CESM the tropical land dictates the response to volcanoes with a distinct behavior for large and moderate eruptions. Under anthropogenic emissions, global land and ocean carbon uptake rates emerge from the envelope of interannual natural variability as simulated for the last millennium by about year 1947 and 1877, respectively.

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.

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).

Computer Simulation of the Forces Acting on a Submerged Polystyrene Probe as it Approaches the Succinonitrile Melt-Solid Interface

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Kaukler, William; Whitaker, Ann (Technical Monitor)

2001-01-01

A Modeling approach to simulate both mesoscale and microscopic forces acting in a typical AFM experiment is presented. A mesoscale level interaction between the cantilever tip and the sample surface is primarily described by the balance of attractive Van der Waals and repulsive forces. Ultimately, the goal is to measure the forces between a particle and the crystal-melt interface. Two modes of AFM operation are considered in this paper - a stationary and a "tapping" one. The continuous mechanics approach to model tip-surface interaction is presented. At microscopic levels, tip contamination and details of tip-surface interaction are modeled using a molecular dynamics approach for the case of polystyrene - succinonitrile contact. Integration of the mesoscale model with a molecular dynamic model is discussed.

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.

Research the simulation model of the passenger travel behavior in urban rail platform

NASA Astrophysics Data System (ADS)

Wang, Yujia; Yin, Xiangyong

2017-05-01

Based on the results of the research on the platform of the Beijing Chegongzhuang subway station in the line 2, the passenger travel behavior in urban rail platform is divided into 4 parts, which are the enter passenger walking, the passenger waiting distribution and queuing up before the door, passenger boarding and alighting and the alighting passengers walking, according to the social force model, simulation model was built based on Matlab software. Combined with the actual data of subway the Chegongzhuang subway station in the line 2, the simulation results show that the social force model is effective.

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.

The Model Intercomparison Project on the Climatic Response to Volcanic Forcing (VolMIP): Experimental Design and Forcing Input Data for CMIP6

NASA Technical Reports Server (NTRS)

Zanchettin, Davide; Khodri, Myriam; Timmreck, Claudia; Toohey, Matthew; Schmidt, Anja; Gerber, Edwin P.; Hegerl, Gabriele; Robock, Alan; Pausata, Francesco; Ball, William T.;

Partial Validation of Multibody Program to Optimize Simulated Trajectories II (POST II) Parachute Simulation With Interacting Forces

NASA Technical Reports Server (NTRS)

Raiszadeh, Ben; Queen, Eric M.

2002-01-01

A capability to simulate trajectories Of Multiple interacting rigid bodies has been developed. This capability uses the Program to Optimize Simulated Trajectories II (POST II). Previously, POST II had the ability to simulate multiple bodies without interacting forces. The current implementation is used for the Simulation of parachute trajectories, in which the parachute and suspended bodies can be treated as rigid bodies. An arbitrary set of connecting lines can be included in the model and are treated as massless spring-dampers. This paper discusses details of the connection line modeling and results of several test cases used to validate the capability.

Evaluation of regional climate simulations for air quality modelling purposes

NASA Astrophysics Data System (ADS)

Menut, Laurent; Tripathi, Om P.; Colette, Augustin; Vautard, Robert; Flaounas, Emmanouil; Bessagnet, Bertrand

2013-05-01

In order to evaluate the future potential benefits of emission regulation on regional air quality, while taking into account the effects of climate change, off-line air quality projection simulations are driven using weather forcing taken from regional climate models. These regional models are themselves driven by simulations carried out using global climate models (GCM) and economical scenarios. Uncertainties and biases in climate models introduce an additional "climate modeling" source of uncertainty that is to be added to all other types of uncertainties in air quality modeling for policy evaluation. In this article we evaluate the changes in air quality-related weather variables induced by replacing reanalyses-forced by GCM-forced regional climate simulations. As an example we use GCM simulations carried out in the framework of the ERA-interim programme and of the CMIP5 project using the Institut Pierre-Simon Laplace climate model (IPSLcm), driving regional simulations performed in the framework of the EURO-CORDEX programme. In summer, we found compensating deficiencies acting on photochemistry: an overestimation by GCM-driven weather due to a positive bias in short-wave radiation, a negative bias in wind speed, too many stagnant episodes, and a negative temperature bias. In winter, air quality is mostly driven by dispersion, and we could not identify significant differences in either wind or planetary boundary layer height statistics between GCM-driven and reanalyses-driven regional simulations. However, precipitation appears largely overestimated in GCM-driven simulations, which could significantly affect the simulation of aerosol concentrations. The identification of these biases will help interpreting results of future air quality simulations using these data. Despite these, we conclude that the identified differences should not lead to major difficulties in using GCM-driven regional climate simulations for air quality projections.

A new method for the prediction of chatter stability lobes based on dynamic cutting force simulation model and support vector machine

NASA Astrophysics Data System (ADS)

Peng, Chong; Wang, Lun; Liao, T. Warren

2015-10-01

Currently, chatter has become the critical factor in hindering machining quality and productivity in machining processes. To avoid cutting chatter, a new method based on dynamic cutting force simulation model and support vector machine (SVM) is presented for the prediction of chatter stability lobes. The cutting force is selected as the monitoring signal, and the wavelet energy entropy theory is used to extract the feature vectors. A support vector machine is constructed using the MATLAB LIBSVM toolbox for pattern classification based on the feature vectors derived from the experimental cutting data. Then combining with the dynamic cutting force simulation model, the stability lobes diagram (SLD) can be estimated. Finally, the predicted results are compared with existing methods such as zero-order analytical (ZOA) and semi-discretization (SD) method as well as actual cutting experimental results to confirm the validity of this new method.

Attribution of Observed Streamflow Changes in Key British Columbia Drainage Basins

NASA Astrophysics Data System (ADS)

Najafi, Mohammad Reza; Zwiers, Francis W.; Gillett, Nathan P.

2017-11-01

We study the observed decline in summer streamflow in four key river basins in British Columbia (BC), Canada, using a formal detection and attribution (D&A) analysis procedure. Reconstructed and simulated streamflow is generated using the semidistributed variable infiltration capacity hydrologic model, which is driven by 1/16° gridded observations and downscaled climate model data from the Coupled Model Intercomparison Project phase 5 (CMIP5), respectively. The internal variability of the regional hydrologic components using 5100 years of streamflow was simulated using CMIP5 preindustrial control runs. Results show that the observed changes in summer streamflow are inconsistent with simulations representing the responses to natural forcing factors alone, while the response to anthropogenic and natural forcing factors combined is detected in these changes. A two-signal D&A analysis indicates that the effects of anthropogenic (ANT) forcing factors are discernable from natural forcing in BC, albeit with large uncertainties.

Charge Equilibration Force Fields for Lipid Environments: Applications to Fully Hydrated DPPC Bilayers and DMPC-Embedded Gramicidin A

PubMed Central

Davis, Joseph E.; Patel, Sandeep

2009-01-01

Polarizable force fields for lipid and solvent environments are used for molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine (DPPC) bilayer and gramicidin A (gA) dimer embedded in a dimyristoylphosphatidylcholine (DMPC) bilayer. The lipid bilayer is modelled using the CHARMM charge equilibration (CHEQ) polarizable force field for lipids and the TIP4P-FQ force field to represent solvent. For the DPPC bilayer system, results are compared to the same system simulated using the nonpolarizable CHARMM27r (C27r) force field and TIP3P water. Calculated atomic and electron density profiles, headgroup orientations as measured by the phosphorus-nitrogen vector orientation, and deuterium order parameters are found to be consistent with previous simulations and with experiment. The CHEQ model exhibits greater water penetration into the bilayer interior, as demonstrated by the potential of mean force calculated from the water density profile. This is a result of the variation of the water molecular dipole from 2.55 D in the bulk to 1.88 D in the interior. We discuss this finding in the context of previous studies (both simulation and experiment) that have investigated the extent of penetration of water into DPPC bilayers. We also discuss the effects of including explicit polarization on the water dipole moment variation as a function of distance from the bilayer. We show distributions of atomic charges over the course of the simulation, since the CHEQ model allows the charges to fluctuate. We have calculated the interfacial dipole potential, which the CHEQ model predicts to be 0.95 V compared to 0.86 V as predicted by the C27r model. We also discuss dielectric permittivity profiles and the differences arising between the two models. We obtain bulk values of 72.77 for the CHEQ model (TIP4P-FQ water) and 91.22 for C27r (TIP3P), and values approaching unity in the membrane interior. Finally, we present results of simulations of gA embedded in a DMPC bilayer using the CHEQ model and discuss structural properties. PMID:19526999

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.

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

Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng

Large-scale forcing data, such as vertical velocity and advective tendencies, are required to drive single-column models (SCMs), cloud-resolving models, and large-eddy simulations. Previous studies suggest that some errors of these model simulations could be attributed to the lack of spatial variability in the specified domain-mean large-scale forcing. This study investigates the spatial variability of the forcing and explores its impact on SCM simulated precipitation and clouds. A gridded large-scale forcing data during the March 2000 Cloud Intensive Operational Period at the Atmospheric Radiation Measurement program's Southern Great Plains site is used for analysis and to drive the single-column version ofmore » the Community Atmospheric Model Version 5 (SCAM5). When the gridded forcing data show large spatial variability, such as during a frontal passage, SCAM5 with the domain-mean forcing is not able to capture the convective systems that are partly located in the domain or that only occupy part of the domain. This problem has been largely reduced by using the gridded forcing data, which allows running SCAM5 in each subcolumn and then averaging the results within the domain. This is because the subcolumns have a better chance to capture the timing of the frontal propagation and the small-scale systems. As a result, other potential uses of the gridded forcing data, such as understanding and testing scale-aware parameterizations, are also discussed.« less

Forcing of global ocean models using an atmospheric boundary layer model: assessing consequences for the simulation of the AMOC

NASA Astrophysics Data System (ADS)

Abel, Rafael; Boening, Claus

2015-04-01

Current practice in the atmospheric forcing of ocean model simulations can lead to unphysical behaviours. The problem lies in the bulk formulation of the turbulent air-sea fluxes in conjunction with a prescribed, and unresponsive, atmospheric state as given, e.g., by reanalysis products. This forcing formulation corresponds to assuming an atmosphere with infinite heat capacity, and effectively damps SST anomalies even on basin scales. It thus curtails an important negative feedback between meridional ocean heat transport and SST in the North Atlantic, rendering simulations of the AMOC in such models excessively sensitive to details in the freshwater fluxes. As a consequence, such simulations are known for spurious drift behaviors which can only partially controlled by introducing some (and sometimes strong) unphysical restoring of sea surface salinity. There have been several suggestions during the last 20 years for at least partially alleviating the problem by including some simplified model of the atmospheric boundary layer (AML) which allows a feedback of SST anomalies on the near-surface air temperature and humidity needed to calculate the surface fluxes. We here present simulations with a simple, only thermally active AML formulation (based on the 'CheapAML' proposed by Deremble et al., 2013) implemented in a global model configuration based on NEMO (ORCA05). In a suite of experiments building on the CORE-bulk forcing methodology, we examine some general features of the AML-solutions (in which only the winds are prescribed) in comparison to solutions with a prescribed atmosperic state. The focus is on the North Atlantic, where we find that the adaptation of the atmospheric temperature the simulated ocean state can lead to strong local modifications in the surface heat fluxes in frontal regions (e.g., the 'Northwest Corner'). We particularly assess the potential of the AML-forcing concept for obtaining AMOC-simulations with reduced spurious drift, without employing the traditional remedy of salinity restoring.

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

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.

Determining residual reduction algorithm kinematic tracking weights for a sidestep cut via numerical optimization.

PubMed

Samaan, Michael A; Weinhandl, Joshua T; Bawab, Sebastian Y; Ringleb, Stacie I

2016-12-01

Musculoskeletal modeling allows for the determination of various parameters during dynamic maneuvers by using in vivo kinematic and ground reaction force (GRF) data as inputs. Differences between experimental and model marker data and inconsistencies in the GRFs applied to these musculoskeletal models may not produce accurate simulations. Therefore, residual forces and moments are applied to these models in order to reduce these differences. Numerical optimization techniques can be used to determine optimal tracking weights of each degree of freedom of a musculoskeletal model in order to reduce differences between the experimental and model marker data as well as residual forces and moments. In this study, the particle swarm optimization (PSO) and simplex simulated annealing (SIMPSA) algorithms were used to determine optimal tracking weights for the simulation of a sidestep cut. The PSO and SIMPSA algorithms were able to produce model kinematics that were within 1.4° of experimental kinematics with residual forces and moments of less than 10 N and 18 Nm, respectively. The PSO algorithm was able to replicate the experimental kinematic data more closely and produce more dynamically consistent kinematic data for a sidestep cut compared to the SIMPSA algorithm. Future studies should use external optimization routines to determine dynamically consistent kinematic data and report the differences between experimental and model data for these musculoskeletal simulations.

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.

A "Kane's Dynamics" Model for the Active Rack Isolation System

NASA Astrophysics Data System (ADS)

Rupert, J. K.; Hampton, R. D.; Beech, G. S.

2005-02-01

In the late 1980s, microgravity researchers began to voice their concern that umbilical-transmitted energy could significantly degrade the acceleration environment of microgravity space science experiments onboard manned spacecraft. Since umbilicals are necessary for many experiments, control designers began to seek ways to compensate for these "indirect" disturbances. Hampton, et al., used the Kane s method to develop a model of the active rack isolation system (ARIS) that includes (1) actuator control forces, (2) direct disturbance forces, and (3) indirect, actuator-transmitted disturbances. Their model does not, however, include the indirect, umbilical-transmitted disturbances. Since the umbilical stiffnesses are not negligible, these indirect disturbances must be included in the model. Until the umbilicals have been appropriately included, the model will be incomplete. This Technical Memorandum presents a nonlinear model of ARIS with umbilicals included. Model verification was achieved by utilizing two commercial-off-the-shelf software tools. Various forces and moments were applied to the model to yield simulated responses of the system. Plots of the simulation results show how various critical points on an ARIS-outfitted international standard payload rack behave under the application of direct disturbances, indirect disturbances, and control forces. Simulations also show system response to a variety of initial conditions.

A wind energy benchmark for ABL modelling of a diurnal cycle with a nocturnal low-level jet: GABLS3 revisited

DOE PAGES

Rodrigo, J. Sanz; Churchfield, M.; Kosović, B.

2016-10-03

The third GEWEX Atmospheric Boundary Layer Studies (GABLS3) model intercomparison study, around the Cabauw met tower in the Netherlands, is revisited as a benchmark for wind energy atmospheric boundary layer (ABL) models. The case was originally developed by the boundary layer meteorology community, interested in analysing the performance of single-column and large-eddy simulation atmospheric models dealing with a diurnal cycle leading to the development of a nocturnal low-level jet. The case addresses fundamental questions related to the definition of the large-scale forcing, the interaction of the ABL with the surface and the evaluation of model results with observations. The characterizationmore » of mesoscale forcing for asynchronous microscale modelling of the ABL is discussed based on momentum budget analysis of WRF simulations. Then a single-column model is used to demonstrate the added value of incorporating different forcing mechanisms in microscale models. The simulations are evaluated in terms of wind energy quantities of interest.« less

Soft tissue modelling through autowaves for surgery simulation.

PubMed

Zhong, Yongmin; Shirinzadeh, Bijan; Alici, Gursel; Smith, Julian

2006-09-01

Modelling of soft tissue deformation is of great importance to virtual reality based surgery simulation. This paper presents a new methodology for simulation of soft tissue deformation by drawing an analogy between autowaves and soft tissue deformation. The potential energy stored in a soft tissue as a result of a deformation caused by an external force is propagated among mass points of the soft tissue by non-linear autowaves. The novelty of the methodology is that (i) autowave techniques are established to describe the potential energy distribution of a deformation for extrapolating internal forces, and (ii) non-linear materials are modelled with non-linear autowaves other than geometric non-linearity. Integration with a haptic device has been achieved to simulate soft tissue deformation with force feedback. The proposed methodology not only deals with large-range deformations, but also accommodates isotropic, anisotropic and inhomogeneous materials by simply changing diffusion coefficients.

Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose Iâ

Treesearch

Fernando L. Dri; Xiawa Wu; Robert J. Moon; Ashlie Martini; Pablo D. Zavattieri

2015-01-01

Molecular dynamics simulation is commonly used to study the properties of nanocellulose-based materials at the atomic scale. It is well known that the accuracy of these simulations strongly depends on the force field that describes energetic interactions. However, since there is no force field developed specifically for cellulose, researchers utilize models...

Force Limiting Vibration Tests Evaluated from both Ground Acoustic Tests and FEM Simulations of a Flight Like Vehicle System Assembly

NASA Technical Reports Server (NTRS)

Smith, Andrew; LaVerde, Bruce; Waldon, James; Hunt, Ron

2014-01-01

Marshall Space Flight Center has conducted a series of ground acoustic tests with the dual goals of informing analytical judgment, and validating analytical methods when estimating vibroacoustic responses of launch vehicle subsystems. The process of repeatedly correlating finite element-simulated responses with test-measured responses has assisted in the development of best practices for modeling and post-processing. In recent work, force transducers were integrated to measure interface forces at the base of avionics box equipment. Other force data was indirectly measured using strain gauges. The combination of these direct and indirect force measurements has been used to support and illustrate the advantages of implementing the Force Limiting approach for equipment qualification tests. The comparison of force response from integrated system level tests to measurements at the same locations during component level vibration tests provides an excellent illustration. A second comparison of the measured response cases from the system level acoustic tests to finite element simulations has also produced some principles for assessing the suitability of Finite Element Models (FEMs) for making vibroacoustics estimates. The results indicate that when FEM models are employed to guide force limiting choices, they should include sufficient detail to represent the apparent mass of the system in the frequency range of interest.

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)

Impact of tropical cyclones on modeled extreme wind-wave climate

DOE PAGES

Timmermans, Ben; Stone, Daithi; Wehner, Michael; ...

2017-02-16

Here, the effect of forcing wind resolution on the extremes of global wind-wave climate are investigated in numerical simulations. Forcing winds from the Community Atmosphere Model at horizontal resolutions of ~1.0° and ~0.25° are used to drive Wavewatch III. Differences in extreme wave height are found to manifest most strongly in tropical cyclone (TC) regions, emphasizing the need for high-resolution forcing in those areas. Comparison with observations typically show improvement in performance with increased forcing resolution, with a strong influence in the tail of the distribution, although simulated extremes can exceed observations. A simulation for the end of the 21stmore » century under a RCP 8.5 type emission scenario suggests further increases in extreme wave height in TC regions.« less

Impact of tropical cyclones on modeled extreme wind-wave climate

NASA Astrophysics Data System (ADS)

Timmermans, Ben; Stone, Dáithí; Wehner, Michael; Krishnan, Harinarayan

2017-02-01

The effect of forcing wind resolution on the extremes of global wind-wave climate are investigated in numerical simulations. Forcing winds from the Community Atmosphere Model at horizontal resolutions of ˜1.0° and ˜0.25° are used to drive Wavewatch III. Differences in extreme wave height are found to manifest most strongly in tropical cyclone (TC) regions, emphasizing the need for high-resolution forcing in those areas. Comparison with observations typically show improvement in performance with increased forcing resolution, with a strong influence in the tail of the distribution, although simulated extremes can exceed observations. A simulation for the end of the 21st century under a RCP 8.5 type emission scenario suggests further increases in extreme wave height in TC regions.

Molecular dynamics simulations of fluid cyclopropane with MP2/CBS-fitted intermolecular interaction potentials

NASA Astrophysics Data System (ADS)

Ho, Yen-Ching; Wang, Yi-Siang; Chao, Sheng D.

2017-08-01

Modeling fluid cycloalkanes with molecular dynamics simulations has proven to be a very challenging task partly because of lacking a reliable force field based on quantum chemistry calculations. In this paper, we construct an ab initio force field for fluid cyclopropane using the second-order Møller-Plesset perturbation theory. We consider 15 conformers of the cyclopropane dimer for the orientation sampling. Single-point energies at important geometries are calibrated by the coupled cluster with single, double, and perturbative triple excitation method. Dunning's correlation consistent basis sets (up to aug-cc-pVTZ) are used in extrapolating the interaction energies at the complete basis set limit. The force field parameters in a 9-site Lennard-Jones model are regressed by the calculated interaction energies without using empirical data. With this ab initio force field, we perform molecular dynamics simulations of fluid cyclopropane and calculate both the structural and dynamical properties. We compare the simulation results with those using an empirical force field and obtain a quantitative agreement for the detailed atom-wise radial distribution functions. The experimentally observed gross radial distribution function (extracted from the neutron scattering measurements) is well reproduced in our simulation. Moreover, the calculated self-diffusion coefficients and shear viscosities are in good agreement with the experimental data over a wide range of thermodynamic conditions. To the best of our knowledge, this is the first ab initio force field which is capable of competing with empirical force fields for simulating fluid cyclopropane.

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).

Easy Volcanic Aerosol

NASA Astrophysics Data System (ADS)

Toohey, Matthew; Stevens, Bjorn; Schmidt, Hauke; Timmreck, Claudia

2016-04-01

Radiative forcing by stratospheric sulfate aerosol of volcanic origin is one of the strongest drivers of natural climate variability. Transient model simulations attempting to match observed climate variability, such as the CMIP historical simulations, rely on volcanic forcing reconstructions based on observations of a small sample of recent eruptions and coarse proxy data for eruptions before the satellite era. Volcanic forcing data sets used in CMIP5 were provided either in terms of optical properties, or in terms of sulfate aerosol mass, leading to significant inter-model spread in the actual volcanic radiative forcing produced by models and in their resulting climate responses. It remains therefore unclear to what degree inter-model spread in response to volcanic forcing represents model differences or variations in the forcing. In order to isolate model differences, Easy Volcanic Aerosol (EVA) provides an analytic representation of volcanic stratospheric aerosol forcing, based on available observations and aerosol model results, prescribing the aerosol's radiative properties and primary modes of spatial and temporal variability. In contrast to regriddings of observational data, EVA allows for the production of physically consistent forcing for historic and hypothetical eruptions of varying magnitude, source latitude, and season. Within CMIP6, EVA will be used to reconstruct volcanic forcing over the past 2000 years for use in the Paleo-Modeling Intercomparison Project (PMIP), and will provide forcing sets for VolMIP experiments aiming to quantify model uncertainty in the response to volcanic forcing. Here, the functional form of EVA will be introduced, along with illustrative examples including the EVA-based reconstruction of volcanic forcing over the historical period, and that of the 1815 Tambora eruption.

SCM-Forcing Data

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

Xie, Shaocheng; Tang, Shuaiqi; Zhang, Yunyan

2016-07-01

Single-Column Model (SCM) Forcing Data are derived from the ARM facility observational data using the constrained variational analysis approach (Zhang and Lin 1997 and Zhang et al., 2001). The resulting products include both the large-scale forcing terms and the evaluation fields, which can be used for driving the SCMs and Cloud Resolving Models (CRMs) and validating model simulations.

Finite-time adaptive sliding mode force control for electro-hydraulic load simulator based on improved GMS friction model

NASA Astrophysics Data System (ADS)

Kang, Shuo; Yan, Hao; Dong, Lijing; Li, Changchun

2018-03-01

This paper addresses the force tracking problem of electro-hydraulic load simulator under the influence of nonlinear friction and uncertain disturbance. A nonlinear system model combined with the improved generalized Maxwell-slip (GMS) friction model is firstly derived to describe the characteristics of load simulator system more accurately. Then, by using particle swarm optimization (PSO) algorithm ​combined with the system hysteresis characteristic analysis, the GMS friction parameters are identified. To compensate for nonlinear friction and uncertain disturbance, a finite-time adaptive sliding mode control method is proposed based on the accurate system model. This controller has the ability to ensure that the system state moves along the nonlinear sliding surface to steady state in a short time as well as good dynamic properties under the influence of parametric uncertainties and disturbance, which further improves the force loading accuracy and rapidity. At the end of this work, simulation and experimental results are employed to demonstrate the effectiveness of the proposed sliding mode control strategy.

Exploration of Force Transition in Stability Operations Using Multi-Agent Simulation

DTIC Science & Technology

2006-09-01

risk, mission failure risk, and time in the context of the operational threat environment. The Pythagoras Multi-Agent Simulation and Data Farming...NUMBER OF PAGES 173 14. SUBJECT TERMS Stability Operations, Peace Operations, Data Farming, Pythagoras , Agent- Based Model, Multi-Agent Simulation...the operational threat environment. The Pythagoras Multi-Agent Simulation and Data Farming techniques are used to investigate force-level

A Single-column Model Ensemble Approach Applied to the TWP-ICE Experiment

NASA Technical Reports Server (NTRS)

Davies, L.; Jakob, C.; Cheung, K.; DelGenio, A.; Hill, A.; Hume, T.; Keane, R. J.; Komori, T.; Larson, V. E.; Lin, Y.;

Empirical models of wind conditions on Upper Klamath Lake, Oregon

USGS Publications Warehouse

Buccola, Norman L.; Wood, Tamara M.

2010-01-01

Upper Klamath Lake is a large (230 square kilometers), shallow (mean depth 2.8 meters at full pool) lake in southern Oregon. Lake circulation patterns are driven largely by wind, and the resulting currents affect the water quality and ecology of the lake. To support hydrodynamic modeling of the lake and statistical investigations of the relation between wind and lake water-quality measurements, the U.S. Geological Survey has monitored wind conditions along the lakeshore and at floating raft sites in the middle of the lake since 2005. In order to make the existing wind archive more useful, this report summarizes the development of empirical wind models that serve two purposes: (1) to fill short (on the order of hours or days) wind data gaps at raft sites in the middle of the lake, and (2) to reconstruct, on a daily basis, over periods of months to years, historical wind conditions at U.S. Geological Survey sites prior to 2005. Empirical wind models based on Artificial Neural Network (ANN) and Multivariate-Adaptive Regressive Splines (MARS) algorithms were compared. ANNs were better suited to simulating the 10-minute wind data that are the dependent variables of the gap-filling models, but the simpler MARS algorithm may be adequate to accurately simulate the daily wind data that are the dependent variables of the historical wind models. To further test the accuracy of the gap-filling models, the resulting simulated winds were used to force the hydrodynamic model of the lake, and the resulting simulated currents were compared to measurements from an acoustic Doppler current profiler. The error statistics indicated that the simulation of currents was degraded as compared to when the model was forced with observed winds, but probably is adequate for short gaps in the data of a few days or less. Transport seems to be less affected by the use of the simulated winds in place of observed winds. The simulated tracer concentration was similar between model results when simulated winds were used to force the model, and when observed winds were used to force the model, and differences between the two results did not accumulate over time.

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

Understanding Southern Ocean SST Trends in Historical Simulations and Observations

NASA Astrophysics Data System (ADS)

Kostov, Yavor; Ferreira, David; Marshall, John; Armour, Kyle

2017-04-01

Historical simulations with CMIP5 global climate models do not reproduce the observed 1979-2014 Southern Ocean (SO) cooling, and most ensemble members predict gradual warming around Antarctica. In order to understand this discrepancy and the mechanisms behind the SO cooling, we analyze output from 19 CMIP5 models. For each ensemble member we estimate the characteristic responses of SO SST to step changes in greenhouse gas (GHG) forcing and in the seasonal indices of the Southern Annular Mode (SAM). Using these step-response functions and linear convolution theory, we reconstruct the original CMIP5 simulations of 1979-2014 SO SST trends. We recover the CMIP5 ensemble mean trend, capture the intermodel spread, and reproduce very well the behavior of individual models. We thus suggest that GHG forcing and the SAM are major drivers of the simulated 1979-2014 SO SST trends. In consistence with the seasonal signature of the Antarctic ozone hole, our results imply that the summer (DJF) and fall (MAM) SAM exert a particularly important effect on the SO SST. In some CMIP5 models the SO SST response to SAM partially counteracts the warming due to GHG forcing, while in other ensemble members the SAM-induced SO SST trends complement the warming effect of GHG forcing. The compensation between GHG and SAM-induced SO SST anomalies is model-dependent and is determined by multiple factors. Firstly, CMIP5 models have different characteristic SST step response functions to SAM. Kostov et al. (2016) relate these differences to biases in the models' climatological SO temperature gradients. Secondly, many CMIP5 historical simulations underestimate the observed positive trends in the DJF and MAM seasonal SAM indices. We show that this affects the models' ability to reproduce the observed SO cooling. Last but not least, CMIP5 models differ in their SO SST step response functions to GHG forcing. Understanding the diverse behavior of CMIP5 models helps shed light on the physical processes that drive SST trends in the real SO.

SST Variation Due to Interactive Convective-Radiative Processes

NASA Technical Reports Server (NTRS)

Tao, W.-K.; Shie, C.-L.; Johnson, D.; Simpson, J.; Li, X.; Sui, C.-H.

2000-01-01

The recent linking of Cloud-Resolving Models (CRMs) to Ocean-Mixed Layer (OML) models has provided a powerful new means of quantifying the role of cloud systems in ocean-atmosphere coupling. This is due to the fact that the CRM can better resolve clouds and cloud systems and allow for explicit cloud-radiation interaction. For example, Anderson (1997) applied an atmospheric forcing associated with a CRM simulated squall line to a 3-D OML model (one way or passive interaction). His results suggested that the spatial variability resulting from the squall forcing can last at least 24 hours when forced with otherwise spatially uniform fluxes. In addition, the sea surface salinity (SSS) variability continuously decreased following the forcing, while some of the SST variability remained when a diurnal mixed layer capped off the surface structure. The forcing used in the OML model, however, focused on shorter time (8 h) and smaller spatial scales (100-120 km). In this study, the 3-D Goddard Cumulus Ensemble Model (GCE; 512 x 512 x 23 cu km, 2-km horizontal resolution) is used to simulate convective active episodes occurring in the Western Pacific warm pool and Eastern Atlantic regions. The model is integrated for seven days, and the simulated results are coupled to an OML model to better understand the impact of precipitation and changes in the planetary boundary layer upon SST variation. We will specifically examine and compare the results of linking the OML model with various spatially-averaged outputs from GCE simulations (i.e., 2 km vs. 10-50 km horizontal resolutions), in order to help understand the SST sensitivity to multi-scale influences. This will allow us to assess the importance of explicitly simulated deep and shallow clouds, as well as the subgrid-scale effects (in coarse-model runs) upon SST variation. Results using both 1-D and 2-D OML models will be evaluated to assess the effects of horizontal advection.

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.

Modeling dust as component minerals in the Community Atmosphere Model: development of framework and impact on radiative forcing

DOE PAGES

Scanza, Rachel; Mahowald, N.; Ghan, Steven J.; ...

2015-01-01

The mineralogy of desert dust is important due to its effect on radiation, clouds and biogeochemical cycling of trace nutrients. This study presents the simulation of dust radiative forcing as a function of both mineral composition and size at the global scale, using mineral soil maps for estimating emissions. Externally mixed mineral aerosols in the bulk aerosol module in the Community Atmosphere Model version 4 (CAM4) and internally mixed mineral aerosols in the modal aerosol module in the Community Atmosphere Model version 5.1 (CAM5) embedded in the Community Earth System Model version 1.0.5 (CESM) are speciated into common mineral componentsmore » in place of total dust. The simulations with mineralogy are compared to available observations of mineral atmospheric distribution and deposition along with observations of clear-sky radiative forcing efficiency. Based on these simulations, we estimate the all-sky direct radiative forcing at the top of the atmosphere as + 0.05 Wm⁻² for both CAM4 and CAM5 simulations with mineralogy. We compare this to the radiative forcing from simulations of dust in release versions of CAM4 and CAM5 (+0.08 and +0.17 Wm⁻²) and of dust with optimized optical properties, wet scavenging and particle size distribution in CAM4 and CAM5, -0.05 and -0.17 Wm⁻², respectively. The ability to correctly include the mineralogy of dust in climate models is hindered by its spatial and temporal variability as well as insufficient global in situ observations, incomplete and uncertain source mineralogies and the uncertainties associated with data retrieved from remote sensing methods.« less

Impact of global warming on tropical cyclone genesis in coupled and forced simulations: role of SST spatial anomalies

NASA Astrophysics Data System (ADS)

Royer, Jean-François; Chauvin, Fabrice; Daloz, Anne-Sophie

2010-05-01

The response of tropical cyclones (TC) activity to global warming has not yet reached a clear consensus in the Fourth Assessment Report (AR4) published by the Intergovernmental Panel on Climate Change (IPCC, 2007) or in the recent scientific literature. Observed series are neither long nor reliable enough for a statistically significant detection and attribution of past TC trends, and coupled climate models give widely divergent results for the future evolution of TC activity in the different ocean basins. The potential importance of the spatial structure of the future SST warming has been pointed out by Chauvin et al. (2006) in simulations performed at CNRM with the ARPEGE-Climat GCM. The current presentation describes a new set of simulations that have been performed with the ARPEGE-Climat model to try to understand the possible role of SST patterns in the TC cyclogenesis response in 15 CMIP3 coupled simulations analysed by Royer et al (2009). The new simulations have been performed with the atmospheric component of the ARPEGE-Climat GCM forced in 10 year simulations by the SST patterns from each of 15 CMIP3 simulations with different climate model at the end of the 21st century according to scenario A2. The TC analysis is based on the computation of a Convective Yearly Genesis Parameter (CYGP) and the Genesis Potential Index (GPI). The computed genesis indices for each of the ARPEGE-Climat forced simulations is compared with the indices computed directly from the initial coupled simulation. The influence of SST patterns can then be more easily assessed since all the ARPEGE-Climat simulations are performed with the same atmospheric model, whereas the original simulations used models with different parameterization and resolutions. The analysis shows that CYGP or GPI anomalies obtained with ARPEGE are as variable between each other as those obtained originally by the different IPCC models. The variety of SST patterns used to force ARPEGE explains a large part of the dispersion, though for a given SST pattern, ARPEGE does not necessarily reproduce the anomaly produced originally by the IPCC model which produced the SST anomaly. Many factors can contribute to this discrepancy, but the most prominent seems to be the absence of coupling between the forced atmospheric ARPEGE simulation and the underlying ocean. When the atmospheric model is forced by prescribed SST anomalies some retroactions between cyclogenesis and ocean are missing. There are however areas over the globe were models agree about the CYGP or GPI anomalies induced by global warming, such as the Indian Ocean that shows a better coherency in the coupled and forced responses. This could be an indication that interaction between ocean and atmosphere is not as strong there as in the other basins. Details of the results for all the other ocean basins will be presented. References: Chauvin F. and J.-F. Royer and M. Déqué , 2006: Response of hurricane-type vortices to global warming as simulated by ARPEGE-Climat at high resolution. Climate Dynamics 27(4), 377-399. IPCC [Intergovernmental Panel for Climate Change], Climate change 2007: The physical science basis, in: S. Solomon et al. (eds.), Cambridge University Press. Royer JF, F Chauvin, 2009: Response of tropical cyclogenesis to global warming in an IPCC AR-4 scenario assessed by a modified yearly genesis parameter. "Hurricanes and Climate Change", J. B. Elsner and T. H. Jagger (Eds.), Springer, ISBN: 978-0-387-09409-0, pp 213-234.

Effect of hurricane paths on storm surge response at Tianjin, China

NASA Astrophysics Data System (ADS)

Feng, Xingru; Yin, Baoshu; Yang, Dezhou

2012-06-01

A hurricane induced storm surge simulation system was developed for Tianjin coast, which consists of a hurricane model and a storm surge model. The peak storm surge result of the simulation agreed well with that of the observation. Three observed paths (Rita, Mimie and WINNIE) and a hypothetical path (Rita2) were chosen as the selective hurricane paths according to their positions relative to Tianjin. The sensitivity of Tianjin storm surge to the four paths was investigated using the validated storm surge simulation system. Three groups of experiments were done. In group one, the models were forced by the wind field and air pressure; in group two and three the models were forced by the wind only and the air pressure only respectively. In the experiments, the hurricane moved with a fixed speed and an intensity of 50 year return period. The simulation results show that path of the type Rita2 is the easiest to cause storm surge disaster in Tianjin, and the effect of air pressure forcing is most evident for path of the type Rita in Tianjin storm surge process. The above conclusions were analyzed through the evolution of the wind fields and the air pressure distributions. Comparing the experiment results of Group one, two and three, it can be seen that the storm surge is mainly induced by the wind forcing and the nonlinear interaction between the effect of wind forcing and air pressure forcing on the storm surge tends to weaken the storm surge.

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

Solares, Santiago D.

This study introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretationmore » of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tappingmode imaging, for both of which the force curves exhibit the expected features. Lastly, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments.« less

Pre-impact lower extremity posture and brake pedal force predict foot and ankle forces during an automobile collision.

PubMed

Hardin, E C; Su, A; van den Bogert, A J

2004-12-01

The purpose of this study was to determine how a driver's foot and ankle forces during a frontal vehicle collision depend on initial lower extremity posture and brake pedal force. A 2D musculoskeletal model with seven segments and six right-side muscle groups was used. A simulation of a three-second braking task found 3647 sets of muscle activation levels that resulted in stable braking postures with realistic pedal force. These activation patterns were then used in impact simulations where vehicle deceleration was applied and driver movements and foot and ankle forces were simulated. Peak rearfoot ground reaction force (F(RF)), peak Achilles tendon force (FAT), peak calcaneal force (F(CF)) and peak ankle joint force (F(AJ)) were calculated. Peak forces during the impact simulation were 476 +/- 687 N (F(RF)), 2934 +/- 944 N (F(CF)) and 2449 +/- 918 N (F(AJ)). Many simulations resulted in force levels that could cause fractures. Multivariate quadratic regression determined that the pre-impact brake pedal force (PF), knee angle (KA) and heel distance (HD) explained 72% of the variance in peak FRF, 62% in peak F(CF) and 73% in peak F(AJ). Foot and ankle forces during a collision depend on initial posture and pedal force. Braking postures with increased knee flexion, while keeping the seat position fixed, are associated with higher foot and ankle forces during a collision.

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.;

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.

How well do force fields capture the strength of salt bridges in proteins?

PubMed Central

Ahmed, Mustapha Carab; Papaleo, Elena

2018-01-01

Salt bridges form between pairs of ionisable residues in close proximity and are important interactions in proteins. While salt bridges are known to be important both for protein stability, recognition and regulation, we still do not have fully accurate predictive models to assess the energetic contributions of salt bridges. Molecular dynamics simulation is one technique that may be used study the complex relationship between structure, solvation and energetics of salt bridges, but the accuracy of such simulations depends on the force field used. We have used NMR data on the B1 domain of protein G (GB1) to benchmark molecular dynamics simulations. Using enhanced sampling simulations, we calculated the free energy of forming a salt bridge for three possible lysine-carboxylate ionic interactions in GB1. The NMR experiments showed that these interactions are either not formed, or only very weakly formed, in solution. In contrast, we show that the stability of the salt bridges is overestimated, to different extents, in simulations of GB1 using seven out of eight commonly used combinations of fixed charge force fields and water models. We also find that the Amber ff15ipq force field gives rise to weaker salt bridges in good agreement with the NMR experiments. We conclude that many force fields appear to overstabilize these ionic interactions, and that further work may be needed to refine our ability to model quantitatively the stability of salt bridges through simulations. We also suggest that comparisons between NMR experiments and simulations will play a crucial role in furthering our understanding of this important interaction.

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.

Developing model asphalt systems using molecular simulation : final model.

DOT National Transportation Integrated Search

2009-09-01

Computer based molecular simulations have been used towards developing simple mixture compositions whose : physical properties resemble those of real asphalts. First, Monte Carlo simulations with the OPLS all-atom force : field were used to predict t...

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

PubMed Central

2015-01-01

We present the ff14ipq force field, implementing the previously published IPolQ charge set for simulations of complete proteins. Minor modifications to the charge derivation scheme and van der Waals interactions between polar atoms are introduced. Torsion parameters are developed through a generational learning approach, based on gas-phase MP2/cc-pVTZ single-point energies computed of structures optimized by the force field itself rather than the quantum benchmark. In this manner, we sacrifice information about the true quantum minima in order to ensure that the force field maintains optimal agreement with the MP2/cc-pVTZ benchmark for the ensembles it will actually produce in simulations. A means of making the gas-phase torsion parameters compatible with solution-phase IPolQ charges is presented. The ff14ipq model is an alternative to ff99SB and other Amber force fields for protein simulations in programs that accommodate pair-specific Lennard–Jones combining rules. The force field gives strong performance on α-helical and β-sheet oligopeptides as well as globular proteins over microsecond time scale simulations, although it has not yet been tested in conjunction with lipid and nucleic acid models. We show how our choices in parameter development influence the resulting force field and how other choices that may have appeared reasonable would actually have led to poorer results. The tools we developed may also aid in the development of future fixed-charge and even polarizable biomolecular force fields. PMID:25328495

Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates

NASA Technical Reports Server (NTRS)

Walton, Otis R.; Johnson, Scott M.

2010-01-01

The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging. Adhesive image-charge forces acting on charged particles touching conducting surfaces can be up to 50 times stronger if the charge is located in discrete spots on the particle surface instead of being distributed uniformly over the surface of the particle, as is assumed by most other models. Besides being useful in modeling particulates in space and distant objects, this modeling technique is useful for electrophotography (used in copiers) and in simulating the effects of static charge in the pulmonary delivery of fine dry powders.

How Hot was Africa during the Mid-Holocene? Reexamining Africa's Thermal History via integrated Climate and Proxy System Modeling

NASA Astrophysics Data System (ADS)

Dee, S.; Russell, J. M.; Morrill, C.

2017-12-01

Climate models predict Africa will warm by up to 5°C in the coming century. Reconstructions of African temperature since the Last Glacial Maximum (LGM) have made fundamental contributions to our understanding of past, present, and future climate and can help constrain predictions from general circulation models (GCMs). However, many of these reconstructions are based on proxies of lake temperature, so the confounding influences of lacustrine processes may complicate our interpretations of past changes in tropical climate. These proxy-specific uncertainties require robust methodology for data-model comparison. We develop a new proxy system model (PSM) for paleolimnology to facilitate data-model comparison and to fully characterize uncertainties in climate reconstructions. Output from GCMs are used to force the PSM to simulate lake temperature, hydrology, and associated proxy uncertainties. We compare reconstructed East African lake and air temperatures in individual records and in a stack of 9 lake records to those predicted by our PSM forced with Paleoclimate Model Intercomparison Project (PMIP3) simulations, focusing on the mid-Holocene (6 kyr BP). We additionally employ single-forcing transient climate simulations from TraCE (10 kyr to 4 kyr B.P. and historical), as well as 200-yr time slice simulations from CESM1.0 to run the lake PSM. We test the sensitivity of African climate change during the mid-Holocene to orbital, greenhouse gas, and ice-sheet forcing in single-forcing simulations, and investigate dynamical hypotheses for these changes. Reconstructions of tropical African temperature indicate 1-2ºC warming during the mid-Holocene relative to the present, similar to changes predicted in the coming decades. However, most climate models underestimate the warming observed in these paleoclimate data (Fig. 1, 6kyr B.P.). We investigate this discrepancy using the new lake PSM and climate model simulations, with attention to the (potentially non-stationary) relationship between lake surface temperature and air temperature. The data-model comparison helps partition the impacts of lake-specific processes such as energy balance, mixing, sedimentation and bioturbation. We provide new insight into the patterns, amplitudes, sensitivity, and mechanisms of African temperature change.

Modeling and simulation of viscoelastic biological particles' 3D manipulation using atomic force microscopy

NASA Astrophysics Data System (ADS)

Korayem, M. H.; Habibi Sooha, Y.; Rastegar, Z.

2018-05-01

Manipulation of the biological particles by atomic force microscopy is used to transfer these particles inside body's cells, diagnosis and destruction of the cancer cells and drug delivery to damaged cells. According to the impossibility of simultaneous observation of this process, the importance of modeling and simulation can be realized. The contact of the tip with biological particle is important during manipulation, therefore, the first step of the modeling is choosing appropriate contact model. Most of the studies about contact between atomic force microscopy and biological particles, consider the biological particle as an elastic material. This is not an appropriate assumption because biological cells are basically soft and this assumption ignores loading history. In this paper, elastic and viscoelastic JKR theories were used in modeling and simulation of the 3D manipulation for three modes of tip-particle sliding, particle-substrate sliding and particle-substrate rolling. Results showed that critical force and time in motion modes (sliding and rolling) for two elastic and viscoelastic states are very close but these magnitudes were lower in the viscoelastic state. Then, three friction models, Coulomb, LuGre and HK, were used for tip-particle sliding mode in the first phase of manipulation to make results closer to reality. In both Coulomb and LuGre models, critical force and time are very close for elastic and viscoelastic states but in general critical force and time prediction of HK model was higher than LuGre and the LuGre model itself had higher prediction than Coulomb.

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.

Atomic Forces for Geometry-Dependent Point Multipole and Gaussian Multipole Models

PubMed Central

Elking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.

2010-01-01

In standard treatments of atomic multipole models, interaction energies, total molecular forces, and total molecular torques are given for multipolar interactions between rigid molecules. However, if the molecules are assumed to be flexible, two additional multipolar atomic forces arise due to 1) the transfer of torque between neighboring atoms, and 2) the dependence of multipole moment on internal geometry (bond lengths, bond angles, etc.) for geometry-dependent multipole models. In the current study, atomic force expressions for geometry-dependent multipoles are presented for use in simulations of flexible molecules. The atomic forces are derived by first proposing a new general expression for Wigner function derivatives ∂Dlm′m/∂Ω. The force equations can be applied to electrostatic models based on atomic point multipoles or Gaussian multipole charge density. Hydrogen bonded dimers are used to test the inter-molecular electrostatic energies and atomic forces calculated by geometry-dependent multipoles fit to the ab initio electrostatic potential (ESP). The electrostatic energies and forces are compared to their reference ab initio values. It is shown that both static and geometry-dependent multipole models are able to reproduce total molecular forces and torques with respect to ab initio, while geometry-dependent multipoles are needed to reproduce ab initio atomic forces. The expressions for atomic force can be used in simulations of flexible molecules with atomic multipoles. In addition, the results presented in this work should lead to further development of next generation force fields composed of geometry-dependent multipole models. PMID:20839297

Mathematical modelling and simulation of a tennis racket.

PubMed

Brannigan, M; Adali, S

1981-01-01

By constructing a mathematical model, we consider the dynamics of a tennis racket hit by a ball. Using this model, known experimental results can be simulated on the computer, and it becomes possible to make a parametric study of a racket. Such a simulation is essential in the study of two important problems related to tennis: computation of the resulting forces and moments transferred to the hand should assist understanding of the medical problem 'tennis elbow'; secondly, simulation will enable a study to be made of the relationships between the impact time, tension in the strings, forces transmitted to the rim and return velocity of the ball, all of which can lead to the optimal design of rackets.

WRF-Cordex simulations for Europe: mean and extreme precipitation for present and future climates

NASA Astrophysics Data System (ADS)

Cardoso, Rita M.; Soares, Pedro M. M.; Miranda, Pedro M. A.

2013-04-01

The Weather Research and Forecast (WRF-ARW) model, version 3.3.1, was used to perform the European domain Cordex simulations, at 50km resolution. A first simulation, forced by ERA-Interim (1989-2009), was carried out to evaluate the models performance to represent the mean and extreme precipitation in present European climate. This evaluation is based in the comparison of WRF results against the ECAD regular gridded dataset of daily precipitation. Results are comparable to recent studies with other models for the European region, at this resolution. For the same domain a control and a future scenario (RCP8.5) simulation was performed to assess the climate change impact on the mean and extreme precipitation. These regional simulations were forced by EC-EARTH model results, and, encompass the periods from 1960-2006 and 2006-2100, respectively.

Numerical study of the effects of rotating forced downdraft in reproducing tornado-like vortices

NASA Astrophysics Data System (ADS)

Zhu, Jinwei; Cao, Shuyang; Tamura, Tetsuro; Tokyo Institute of Technology Collaboration; Tongji Univ Collaboration

2016-11-01

Appropriate physical modeling of a tornado-like vortex is a prerequisite to studying near-surface tornado structure and tornado-induced wind loads on structures. Ward-type tornado simulator modeled tornado-like flow by mounting guide vanes around the test area to provide angular momentum to converging flow. Iowa State University, USA modified the Ward-type simulator by locating guide vanes at a high position to allow vertical circulation of flow that creates a rotating forced downdraft in the process of generating a tornado. However, the characteristics of the generated vortices have not been sufficiently investigated till now. In this study, large-eddy simulations were conducted to compare the dynamic vortex structure generated with/without the effect of rotating forced downdraft. The results were also compared with other CFD and experimental results. Particular attention was devoted to the behavior of vortex wander of generated tornado-like vortices. The present study shows that the vortex center wanders more significantly when the rotating forced downdraft is introduced into the flow. The rotating forced downdraft is advantageous for modeling the rear flank downdraft phenomenon of a real tornado.

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.

Equivalent linear damping characterization in linear and nonlinear force-stiffness muscle models.

PubMed

Ovesy, Marzieh; Nazari, Mohammad Ali; Mahdavian, Mohammad

2016-02-01

In the current research, the muscle equivalent linear damping coefficient which is introduced as the force-velocity relation in a muscle model and the corresponding time constant are investigated. In order to reach this goal, a 1D skeletal muscle model was used. Two characterizations of this model using a linear force-stiffness relationship (Hill-type model) and a nonlinear one have been implemented. The OpenSim platform was used for verification of the model. The isometric activation has been used for the simulation. The equivalent linear damping and the time constant of each model were extracted by using the results obtained from the simulation. The results provide a better insight into the characteristics of each model. It is found that the nonlinear models had a response rate closer to the reality compared to the Hill-type models.

Moving Force Identification: a Time Domain Method

NASA Astrophysics Data System (ADS)

Law, S. S.; Chan, T. H. T.; Zeng, Q. H.

1997-03-01

The solution for the vertical dynamic interaction forces between a moving vehicle and the bridge deck is analytically derived and experimentally verified. The deck is modelled as a simply supported beam with viscous damping, and the vehicle/bridge interaction force is modelled as one-point or two-point loads with fixed axle spacing, moving at constant speed. The method is based on modal superposition and is developed to identify the forces in the time domain. Both cases of one-point and two-point forces moving on a simply supported beam are simulated. Results of laboratory tests on the identification of the vehicle/bridge interaction forces are presented. Computation simulations and laboratory tests show that the method is effective, and acceptable results can be obtained by combining the use of bending moment and acceleration measurements.

Modulation of ENSO evolution by strong tropical volcanic eruptions

NASA Astrophysics Data System (ADS)

Wang, Tao; Guo, Dong; Gao, Yongqi; Wang, Huijun; Zheng, Fei; Zhu, Yali; Miao, Jiapeng; Hu, Yongyun

2017-11-01

The simulated responses of the El Niño-Southern Oscillation (ENSO) to volcanic forcings are controversial, and some mechanisms of these responses are not clear. We investigate the impacts of volcanic forcing on the ENSO using a long-term simulation covering 1400-1999 as simulated by the Bergen Climate Model (BCM) and a group of simulations performed with the Community Atmosphere Model version 4.0 (CAM4) and the BCM's ocean component Miami Isopycanic Coordinated Ocean Model (MICOM). The analysis of the long-term BCM simulation indicates that ENSO has a negative-positive-negative response to strong tropical volcanic eruptions (SVEs), which corresponds to the different stages of volcanic forcing. In the initial forcing stage, a brief and weak La Niña-like response is caused by the cooling along the west coast of the South American continent and associated enhancement of the trade winds. In the peak forcing stage, westerly wind anomalies are excited by both reduced east-west sea level pressure gradients and weakened and equatorward shifted tropical convergence zones. These westerly wind anomalies extend to the equatorial eastern Pacific, leading to an El Niño-like response. At the same time, easterly wind anomalies west of 120°E and strong cooling effects can promote a discharged thermocline state and excite an upwelling Kelvin wave in the western Pacific. In the declining forcing stage, forced by the recovered trade winds, the upwelling Kelvin wave propagates eastward and reaches the equatorial eastern Pacific. Through the Bjerknes feedback, a strong and temporally extended La Niña-like response forms. Additional CAM4 simulations suggest a more important role of the surface cooling over the Maritime Continent and surrounding ocean in shaping the westerly wind anomalies over the equatorial central-eastern Pacific and the easterly wind anomalies west of 120° E, which are key to causing the El Niño-like responses and subsequent La Niña-like responses, respectively. The MICOM sensitivity simulations confirm that SVE-induced tropical atmospheric circulation anomalies play a dominant role in regulating post-eruption ENSO evolution in the observation, while the influences of anomalous buoyance forcing (heat and freshwater fluxes) are secondary. Therefore, SVEs play an important role in modulating the ENSO evolution. Compared with proxy data, the simulated El Niño-like responses and subsequent La Niña-like responses are consistent with the reconstructed ENSO responses to SVEs. However, the simulated initial brief La Niña-like response, which is reproduced by most models, is seen in only one proxy dataset and is absent in most of the reconstructed ENSOs and those observed. The reason for this model-data mismatch will require further investigation.

Investigation of the dependence of joint contact forces on musculotendon parameters using a codified workflow for image-based modelling.

PubMed

Modenese, Luca; Montefiori, Erica; Wang, Anqi; Wesarg, Stefan; Viceconti, Marco; Mazzà, Claudia

2018-05-17

The generation of subject-specific musculoskeletal models of the lower limb has become a feasible task thanks to improvements in medical imaging technology and musculoskeletal modelling software. Nevertheless, clinical use of these models in paediatric applications is still limited for what concerns the estimation of muscle and joint contact forces. Aiming to improve the current state of the art, a methodology to generate highly personalized subject-specific musculoskeletal models of the lower limb based on magnetic resonance imaging (MRI) scans was codified as a step-by-step procedure and applied to data from eight juvenile individuals. The generated musculoskeletal models were used to simulate 107 gait trials using stereophotogrammetric and force platform data as input. To ensure completeness of the modelling procedure, muscles' architecture needs to be estimated. Four methods to estimate muscles' maximum isometric force and two methods to estimate musculotendon parameters (optimal fiber length and tendon slack length) were assessed and compared, in order to quantify their influence on the models' output. Reported results represent the first comprehensive subject-specific model-based characterization of juvenile gait biomechanics, including profiles of joint kinematics and kinetics, muscle forces and joint contact forces. Our findings suggest that, when musculotendon parameters were linearly scaled from a reference model and the muscle force-length-velocity relationship was accounted for in the simulations, realistic knee contact forces could be estimated and these forces were not sensitive the method used to compute muscle maximum isometric force. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

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.

A "Kane's Dynamics" Model for the Active Rack Isolation System. Part 3; Addition of Umbilicals to the Nonlinear Model

NASA Technical Reports Server (NTRS)

Rupert, J. K.; Hampton, R. D.; Beech, G. S.

2005-01-01

In the late 1980s, microgravity researchers began to voice their concern that umbilical-transmitted energy could significantly degrade the acceleration environment of microgravity space science experiments onboard manned spacecraft. Since umbilicals are necessary for many experiments, control designers began to seek ways to compensate for these "indirect" disturbances. Hampton, et al., used the Kane s method to develop a model of the active rack isolation system (ARIS) that includes (1) actuator control forces, (2) direct disturbance forces, and (3) indirect, actuator-transmitted disturbances. Their model does not, however, include the indirect, umbilical-transmitted disturbances. Since the umbilical stiffnesses are not negligible, these indirect disturbances must be included in the model. Until the umbilicals have been appropriately included, the model will be incomplete. This Technical Memorandum presents a nonlinear model of ARIS with umbilicals included. Model verification was achieved by utilizing two commercial-off-the-shelf software tools. Various forces and moments were applied to the model to yield simulated responses of the system. Plots of the simulation results show how various critical points on an ARIS-outfitted international standard payload rack behave under the application of direct disturbances, indirect disturbances, and control forces. Simulations also show system response to a variety of initial conditions.

Modeling the Information Age Combat Model: An Agent-Based Simulation of Network Centric Operations

NASA Technical Reports Server (NTRS)

Deller, Sean; Rabadi, Ghaith A.; Bell, Michael I.; Bowling, Shannon R.; Tolk, Andreas

2010-01-01

The Information Age Combat Model (IACM) was introduced by Cares in 2005 to contribute to the development of an understanding of the influence of connectivity on force effectiveness that can eventually lead to quantitative prediction and guidelines for design and employment. The structure of the IACM makes it clear that the Perron-Frobenius Eigenvalue is a quantifiable metric with which to measure the organization of a networked force. The results of recent experiments presented in Deller, et aI., (2009) indicate that the value of the Perron-Frobenius Eigenvalue is a significant measurement of the performance of an Information Age combat force. This was accomplished through the innovative use of an agent-based simulation to model the IACM and represents an initial contribution towards a new generation of combat models that are net-centric instead of using the current platform-centric approach. This paper describes the intent, challenges, design, and initial results of this agent-based simulation model.

V/STOL tilt rotor aircraft study mathematical model for a real time simulation of a tilt rotor aircraft (Boeing Vertol Model 222), volume 8

NASA Technical Reports Server (NTRS)

Rosenstein, H.; Mcveigh, M. A.; Mollenkof, P. A.

1973-01-01

A mathematical model for a real time simulation of a tilt rotor aircraft was developed. The mathematical model is used for evaluating aircraft performance and handling qualities. The model is based on an eleven degree of freedom total force representation. The rotor is treated as a point source of forces and moments with appropriate response time lags and actuator dynamics. The aerodynamics of the wing, tail, rotors, landing gear, and fuselage are included.

Modelling cell motility and chemotaxis with evolving surface finite elements

PubMed Central

Elliott, Charles M.; Stinner, Björn; Venkataraman, Chandrasekhar

2012-01-01

We present a mathematical and a computational framework for the modelling of cell motility. The cell membrane is represented by an evolving surface, with the movement of the cell determined by the interaction of various forces that act normal to the surface. We consider external forces such as those that may arise owing to inhomogeneities in the medium and a pressure that constrains the enclosed volume, as well as internal forces that arise from the reaction of the cells' surface to stretching and bending. We also consider a protrusive force associated with a reaction–diffusion system (RDS) posed on the cell membrane, with cell polarization modelled by this surface RDS. The computational method is based on an evolving surface finite-element method. The general method can account for the large deformations that arise in cell motility and allows the simulation of cell migration in three dimensions. We illustrate applications of the proposed modelling framework and numerical method by reporting on numerical simulations of a model for eukaryotic chemotaxis and a model for the persistent movement of keratocytes in two and three space dimensions. Movies of the simulated cells can be obtained from http://homepages.warwick.ac.uk/∼maskae/CV_Warwick/Chemotaxis.html. PMID:22675164

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

Modeling and simulation of three dimensional manipulations of biological micro/nanoparticles by applying cylindrical contact mechanics models by means of AFM

NASA Astrophysics Data System (ADS)

Korayem, M. H.; Saraee, M. B.; Mahmoodi, Z.; Dehghani, S.

2015-11-01

This paper has attempted to investigate the effective forces in 3D manipulation of biological micro/nano particles. Most of the recent researches have only examined 2D spherical geometries but in this paper, the cylindrical geometries, which are much closer to the real geometries, were considered. For achieving a more accurate modeling, manipulation dynamics was also considered to be three dimensional which have been done for the first time. Because of the sensibility to the amount of endurable applied forces, manipulation process of biological micro/nano particles has some restrictions. Therefore, applied forces exerted on the particles in all different directions were simulated in order to restrict all those possible damages cause by operator of the AFM. Those data from simulated forces will bring a more accurate and sensible understanding for the operator to operate. For the validation of results, the proposed model was compared with the model presented for manipulation of gold nanoparticle and then, by reducing the effective parameters in the 3D manipulation, the results were compared with those obtained for the 2D cylindrical model and with the experimental results of spherical nanoparticle in the 2D manipulation.

Glide performance and aerodynamics of non-equilibrium glides in northern flying squirrels (Glaucomys sabrinus)

PubMed Central

Bahlman, Joseph W.; Swartz, Sharon M.; Riskin, Daniel K.; Breuer, Kenneth S.

2013-01-01

Gliding is an efficient form of travel found in every major group of terrestrial vertebrates. Gliding is often modelled in equilibrium, where aerodynamic forces exactly balance body weight resulting in constant velocity. Although the equilibrium model is relevant for long-distance gliding, such as soaring by birds, it may not be realistic for shorter distances between trees. To understand the aerodynamics of inter-tree gliding, we used direct observation and mathematical modelling. We used videography (60–125 fps) to track and reconstruct the three-dimensional trajectories of northern flying squirrels (Glaucomys sabrinus) in nature. From their trajectories, we calculated velocities, aerodynamic forces and force coefficients. We determined that flying squirrels do not glide at equilibrium, and instead demonstrate continuously changing velocities, forces and force coefficients, and generate more lift than needed to balance body weight. We compared observed glide performance with mathematical simulations that use constant force coefficients, a characteristic of equilibrium glides. Simulations with varying force coefficients, such as those of live squirrels, demonstrated better whole-glide performance compared with the theoretical equilibrium state. Using results from both the observed glides and the simulation, we describe the mechanics and execution of inter-tree glides, and then discuss how gliding behaviour may relate to the evolution of flapping flight. PMID:23256188

Glide performance and aerodynamics of non-equilibrium glides in northern flying squirrels (Glaucomys sabrinus).

PubMed

Bahlman, Joseph W; Swartz, Sharon M; Riskin, Daniel K; Breuer, Kenneth S

2013-03-06

Gliding is an efficient form of travel found in every major group of terrestrial vertebrates. Gliding is often modelled in equilibrium, where aerodynamic forces exactly balance body weight resulting in constant velocity. Although the equilibrium model is relevant for long-distance gliding, such as soaring by birds, it may not be realistic for shorter distances between trees. To understand the aerodynamics of inter-tree gliding, we used direct observation and mathematical modelling. We used videography (60-125 fps) to track and reconstruct the three-dimensional trajectories of northern flying squirrels (Glaucomys sabrinus) in nature. From their trajectories, we calculated velocities, aerodynamic forces and force coefficients. We determined that flying squirrels do not glide at equilibrium, and instead demonstrate continuously changing velocities, forces and force coefficients, and generate more lift than needed to balance body weight. We compared observed glide performance with mathematical simulations that use constant force coefficients, a characteristic of equilibrium glides. Simulations with varying force coefficients, such as those of live squirrels, demonstrated better whole-glide performance compared with the theoretical equilibrium state. Using results from both the observed glides and the simulation, we describe the mechanics and execution of inter-tree glides, and then discuss how gliding behaviour may relate to the evolution of flapping flight.

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.

Pressure loadings in a rectangular cavity with and without a captive store

DOE PAGES

Barone, Matthew; Arunajatesan, Srinivasan

2016-05-31

Simulations of the flow past a rectangular cavity containing a model captive store are performed using a hybrid Reynolds-averaged Navier–Stokes/large-eddy simulation model. Calculated pressure fluctuation spectra are validated using measurements made on the same configuration in a trisonic wind tunnel at Mach numbers of 0.60, 0.80, and 1.47. The simulation results are used to calculate unsteady integrated forces and moments acting on the store. Spectra of the forces and moments, along with correlations calculated for force/moment pairs, reveal that a complex relationship exists between the unsteady integrated forces and the measured resonant cavity modes, as indicated in the cavity wallmore » pressure measurements. As a result, the structure of identified cavity resonant tones is examined by visualization of filtered surface pressure fields.« less

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.

An implicit divalent counterion force field for RNA molecular dynamics

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

Henke, Paul S.; Mak, Chi H., E-mail: cmak@usc.edu; Center of Applied Mathematical Sciences, University of Southern California, Los Angeles, California 90089

How to properly account for polyvalent counterions in a molecular dynamics simulation of polyelectrolytes such as nucleic acids remains an open question. Not only do counterions such as Mg{sup 2+} screen electrostatic interactions, they also produce attractive intrachain interactions that stabilize secondary and tertiary structures. Here, we show how a simple force field derived from a recently reported implicit counterion model can be integrated into a molecular dynamics simulation for RNAs to realistically reproduce key structural details of both single-stranded and base-paired RNA constructs. This divalent counterion model is computationally efficient. It works with existing atomistic force fields, or coarse-grainedmore » models may be tuned to work with it. We provide optimized parameters for a coarse-grained RNA model that takes advantage of this new counterion force field. Using the new model, we illustrate how the structural flexibility of RNA two-way junctions is modified under different salt conditions.« less

Aerodynamic force measurement on a large-scale model in a short duration test facility

NASA Astrophysics Data System (ADS)

Tanno, H.; Kodera, M.; Komuro, T.; Sato, K.; Takahasi, M.; Itoh, K.

2005-03-01

A force measurement technique has been developed for large-scale aerodynamic models with a short test time. The technique is based on direct acceleration measurements, with miniature accelerometers mounted on a test model suspended by wires. Measuring acceleration at two different locations, the technique can eliminate oscillations from natural vibration of the model. The technique was used for drag force measurements on a 3m long supersonic combustor model in the HIEST free-piston driven shock tunnel. A time resolution of 350μs is guaranteed during measurements, whose resolution is enough for ms order test time in HIEST. To evaluate measurement reliability and accuracy, measured values were compared with results from a three-dimensional Navier-Stokes numerical simulation. The difference between measured values and numerical simulation values was less than 5%. We conclude that this measurement technique is sufficiently reliable for measuring aerodynamic force within test durations of 1ms.

Pairwise Force Smoothed Particle Hydrodynamics model for multiphase flow: Surface tension and contact line dynamics

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

Tartakovsky, Alexandre M.; Panchenko, Alexander

2016-01-01

We present a novel formulation of the Pairwise Force Smoothed Particle Hydrodynamics Model (PF-SPH) and use it to simulate two- and three-phase flows in bounded domains. In the PF-SPH model, the Navier-Stokes equations are discretized with the Smoothed Particle Hydrodynamics (SPH) method and the Young-Laplace boundary condition at the fluid-fluid interface and the Young boundary condition at the fluid-fluid-solid interface are replaced with pairwise forces added into the Navier-Stokes equations. We derive a relationship between the parameters in the pairwise forces and the surface tension and static contact angle. Next, we demonstrate the accuracy of the model under static andmore » dynamic conditions. Finally, to demonstrate the capabilities and robustness of the model we use it to simulate flow of three fluids in a porous material.« less

Host model uncertainties in aerosol radiative forcing estimates: results from the AeroCom prescribed intercomparison study

NASA Astrophysics Data System (ADS)

Stier, P.; Schutgens, N. A. J.; Bian, H.; Boucher, O.; Chin, M.; Ghan, S.; Huneeus, N.; Kinne, S.; Lin, G.; Myhre, G.; Penner, J. E.; Randles, C.; Samset, B.; Schulz, M.; Yu, H.; Zhou, C.

2012-09-01

Simulated multi-model "diversity" in aerosol direct radiative forcing estimates is often perceived as measure of aerosol uncertainty. However, current models used for aerosol radiative forcing calculations vary considerably in model components relevant for forcing calculations and the associated "host-model uncertainties" are generally convoluted with the actual aerosol uncertainty. In this AeroCom Prescribed intercomparison study we systematically isolate and quantify host model uncertainties on aerosol forcing experiments through prescription of identical aerosol radiative properties in nine participating models. Even with prescribed aerosol radiative properties, simulated clear-sky and all-sky aerosol radiative forcings show significant diversity. For a purely scattering case with globally constant optical depth of 0.2, the global-mean all-sky top-of-atmosphere radiative forcing is -4.51 W m-2 and the inter-model standard deviation is 0.70 W m-2, corresponding to a relative standard deviation of 15%. For a case with partially absorbing aerosol with an aerosol optical depth of 0.2 and single scattering albedo of 0.8, the forcing changes to 1.26 W m-2, and the standard deviation increases to 1.21 W m-2, corresponding to a significant relative standard deviation of 96%. However, the top-of-atmosphere forcing variability owing to absorption is low, with relative standard deviations of 9% clear-sky and 12% all-sky. Scaling the forcing standard deviation for a purely scattering case to match the sulfate radiative forcing in the AeroCom Direct Effect experiment, demonstrates that host model uncertainties could explain about half of the overall sulfate forcing diversity of 0.13 W m-2 in the AeroCom Direct Radiative Effect experiment. Host model errors in aerosol radiative forcing are largest in regions of uncertain host model components, such as stratocumulus cloud decks or areas with poorly constrained surface albedos, such as sea ice. Our results demonstrate that host model uncertainties are an important component of aerosol forcing uncertainty that require further attention.

Nonlinear state-space modelling of the kinematics of an oscillating circular cylinder in a fluid flow

NASA Astrophysics Data System (ADS)

Decuyper, J.; De Troyer, T.; Runacres, M. C.; Tiels, K.; Schoukens, J.

2018-01-01

The flow-induced vibration of bluff bodies is an important problem of many marine, civil, or mechanical engineers. In the design phase of such structures, it is vital to obtain good predictions of the fluid forces acting on the structure. Current methods rely on computational fluid dynamic simulations (CFD), with a too high computational cost to be effectively used in the design phase or for control applications. Alternative methods use heuristic mathematical models of the fluid forces, but these lack the accuracy (they often assume the system to be linear) or flexibility to be useful over a wide operating range. In this work we show that it is possible to build an accurate, flexible and low-computational-cost mathematical model using nonlinear system identification techniques. This model is data driven: it is trained over a user-defined region of interest using data obtained from experiments or simulations, or both. Here we use a Van der Pol oscillator as well as CFD simulations of an oscillating circular cylinder to generate the training data. Then a discrete-time polynomial nonlinear state-space model is fit to the data. This model relates the oscillation of the cylinder to the force that the fluid exerts on the cylinder. The model is finally validated over a wide range of oscillation frequencies and amplitudes, both inside and outside the so-called lock-in region. We show that forces simulated by the model are in good agreement with the data obtained from CFD.

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.

Groundwars Version 5.0. User’s Guide

DTIC Science & Technology

1992-08-01

model, Monte Carlo, land duel , heterogeneous forces, TANKWARS, target acquisition, combat survivability 19. ABSTRACT (Continue on reverse if necessary...land duel between two heterogeneous forces. The model simuJ.ates individual weapon systems and employs Monte Carlo probability theory as its primary...is a weapon systems effectiveness model which provides the results of a land duel between two forces. The model simulates individual weapon systems

Mechanical model of orthopaedic drilling for augmented-haptics-based training.

PubMed

Pourkand, Ashkan; Zamani, Naghmeh; Grow, David

2017-10-01

In this study, augmented-haptic feedback is used to combine a physical object with virtual elements in order to simulate anatomic variability in bone. This requires generating levels of force/torque consistent with clinical bone drilling, which exceed the capabilities of commercially available haptic devices. Accurate total force generation is facilitated by a predictive model of axial force during simulated orthopaedic drilling. This model is informed by kinematic data collected while drilling into synthetic bone samples using an instrumented linkage attached to the orthopaedic drill. Axial force is measured using a force sensor incorporated into the bone fixture. A nonlinear function, relating force to axial position and velocity, was used to fit the data. The normalized root-mean-square error (RMSE) of forces predicted by the model compared to those measured experimentally was 0.11 N across various bones with significant differences in geometry and density. This suggests that a predictive model can be used to capture relevant variations in the thickness and hardness of cortical and cancellous bone. The practical performance of this approach is measured using the Phantom Premium haptic device, with some required customizations. Copyright © 2017 Elsevier Ltd. All rights reserved.

Validation of the North American Land Data Assimilation System (NLDAS) retrospective forcing over the southern Great Plains

NASA Astrophysics Data System (ADS)

Luo, Lifeng; Robock, Alan; Mitchell, Kenneth E.; Houser, Paul R.; Wood, Eric F.; Schaake, John C.; Lohmann, Dag; Cosgrove, Brian; Wen, Fenghua; Sheffield, Justin; Duan, Qingyun; Higgins, R. Wayne; Pinker, Rachel T.; Tarpley, J. Dan

2003-11-01

Atmospheric forcing used by land surface models is a critical component of the North American Land Data Assimilation System (NLDAS) and its quality crucially affects the final product of NLDAS and our work on model improvement. A three-year (September 1996-September 1999) retrospective forcing data set was created from the Eta Data Assimilation System and observations and used to run the NLDAS land surface models for this period. We compared gridded NLDAS forcing with station observations obtained from networks including the Oklahoma Mesonet and Atmospheric Radiation Measurement/Cloud and Radiation Testbed at the southern Great Plains. Differences in all forcing variables except precipitation between the NLDAS forcing data set and station observations are small at all timescales. While precipitation data do not agree very well at an hourly timescale, they do agree better at longer timescales because of the way NLDAS precipitation forcing is generated. A small high bias in downward solar radiation and a low bias in downward longwave radiation exist in the retrospective forcing. To investigate the impact of these differences on land surface modeling we compared two sets of model simulations, one forced by the standard NLDAS product and one with station-observed meteorology. The differences in the resulting simulations of soil moisture and soil temperature for each model were small, much smaller than the differences between the models and between the models and observations. This indicates that NLDAS retrospective forcing provides an excellent state-of-the-art data set for land surface modeling, at least over the southern Great Plains region.

Large-Eddy Simulation Sensitivities to Variations of Configuration and Forcing Parameters in Canonical Boundary-Layer Flows for Wind Energy Applications

DOE PAGES

Mirocha, Jeffrey D.; Churchfield, Matthew J.; Munoz-Esparza, Domingo; ...

2017-08-28

Here, the sensitivities of idealized Large-Eddy Simulations (LES) to variations of model configuration and forcing parameters on quantities of interest to wind power applications are examined. Simulated wind speed, turbulent fluxes, spectra and cospectra are assessed in relation to variations of two physical factors, geostrophic wind speed and surface roughness length, and several model configuration choices, including mesh size and grid aspect ratio, turbulence model, and numerical discretization schemes, in three different code bases. Two case studies representing nearly steady neutral and convective atmospheric boundary layer (ABL) flow conditions over nearly flat and homogeneous terrain were used to force andmore » assess idealized LES, using periodic lateral boundary conditions. Comparison with fast-response velocity measurements at five heights within the lowest 50 m indicates that most model configurations performed similarly overall, with differences between observed and predicted wind speed generally smaller than measurement variability. Simulations of convective conditions produced turbulence quantities and spectra that matched the observations well, while those of neutral simulations produced good predictions of stress, but smaller than observed magnitudes of turbulence kinetic energy, likely due to tower wakes influencing the measurements. While sensitivities to model configuration choices and variability in forcing can be considerable, idealized LES are shown to reliably reproduce quantities of interest to wind energy applications within the lower ABL during quasi-ideal, nearly steady neutral and convective conditions over nearly flat and homogeneous terrain.« less

Large-Eddy Simulation Sensitivities to Variations of Configuration and Forcing Parameters in Canonical Boundary-Layer Flows for Wind Energy Applications

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

Mirocha, Jeffrey D.; Churchfield, Matthew J.; Munoz-Esparza, Domingo

Here, the sensitivities of idealized Large-Eddy Simulations (LES) to variations of model configuration and forcing parameters on quantities of interest to wind power applications are examined. Simulated wind speed, turbulent fluxes, spectra and cospectra are assessed in relation to variations of two physical factors, geostrophic wind speed and surface roughness length, and several model configuration choices, including mesh size and grid aspect ratio, turbulence model, and numerical discretization schemes, in three different code bases. Two case studies representing nearly steady neutral and convective atmospheric boundary layer (ABL) flow conditions over nearly flat and homogeneous terrain were used to force andmore » assess idealized LES, using periodic lateral boundary conditions. Comparison with fast-response velocity measurements at five heights within the lowest 50 m indicates that most model configurations performed similarly overall, with differences between observed and predicted wind speed generally smaller than measurement variability. Simulations of convective conditions produced turbulence quantities and spectra that matched the observations well, while those of neutral simulations produced good predictions of stress, but smaller than observed magnitudes of turbulence kinetic energy, likely due to tower wakes influencing the measurements. While sensitivities to model configuration choices and variability in forcing can be considerable, idealized LES are shown to reliably reproduce quantities of interest to wind energy applications within the lower ABL during quasi-ideal, nearly steady neutral and convective conditions over nearly flat and homogeneous terrain.« less

Comparing Molecular Dynamics Force Fields in the Essential Subspace

PubMed Central

Gomez-Puertas, Paulino; Boomsma, Wouter; Lindorff-Larsen, Kresten

2015-01-01

The continued development and utility of molecular dynamics simulations requires improvements in both the physical models used (force fields) and in our ability to sample the Boltzmann distribution of these models. Recent developments in both areas have made available multi-microsecond simulations of two proteins, ubiquitin and Protein G, using a number of different force fields. Although these force fields mostly share a common mathematical form, they differ in their parameters and in the philosophy by which these were derived, and previous analyses showed varying levels of agreement with experimental NMR data. To complement the comparison to experiments, we have performed a structural analysis of and comparison between these simulations, thereby providing insight into the relationship between force-field parameterization, the resulting ensemble of conformations and the agreement with experiments. In particular, our results show that, at a coarse level, many of the motional properties are preserved across several, though not all, force fields. At a finer level of detail, however, there are distinct differences in both the structure and dynamics of the two proteins, which can, together with comparison with experimental data, help to select force fields for simulations of proteins. A noteworthy observation is that force fields that have been reparameterized and improved to provide a more accurate energetic description of the balance between helical and coil structures are difficult to distinguish from their “unbalanced” counterparts in these simulations. This observation implies that simulations of stable, folded proteins, even those reaching 10 microseconds in length, may provide relatively little information that can be used to modify torsion parameters to achieve an accurate balance between different secondary structural elements. PMID:25811178

A relationship between three-dimensional surface hydration structures and force distribution measured by atomic force microscopy.

PubMed

Miyazawa, Keisuke; Kobayashi, Naritaka; Watkins, Matthew; Shluger, Alexander L; Amano, Ken-ichi; Fukuma, Takeshi

2016-04-07

Hydration plays important roles in various solid-liquid interfacial phenomena. Very recently, three-dimensional scanning force microscopy (3D-SFM) has been proposed as a tool to visualise solvated surfaces and their hydration structures with lateral and vertical (sub) molecular resolution. However, the relationship between the 3D force map obtained and the equilibrium water density, ρ(r), distribution above the surface remains an open question. Here, we investigate this relationship at an interface of an inorganic mineral, fluorite, and water. The force maps measured in pure water are directly compared to force maps generated using the solvent tip approximation (STA) model and from explicit molecular dynamics simulations. The results show that the simulated STA force map describes the major features of the experimentally obtained force image. The agreement between the STA data and the experiment establishes the correspondence between the water density used as an input to the STA model and the experimental hydration structure and thus provides a tool to bridge the experimental force data and atomistic solvation structures. Further applications of this method should improve the accuracy and reliability of both interpretation of 3D-SFM force maps and atomistic simulations in a wide range of solid-liquid interfacial phenomena.

Mechanics of undulatory swimming in a frictional fluid.

PubMed

Ding, Yang; Sharpe, Sarah S; Masse, Andrew; Goldman, Daniel I

2012-01-01

The sandfish lizard (Scincus scincus) swims within granular media (sand) using axial body undulations to propel itself without the use of limbs. In previous work we predicted average swimming speed by developing a numerical simulation that incorporated experimentally measured biological kinematics into a multibody sandfish model. The model was coupled to an experimentally validated soft sphere discrete element method simulation of the granular medium. In this paper, we use the simulation to study the detailed mechanics of undulatory swimming in a "granular frictional fluid" and compare the predictions to our previously developed resistive force theory (RFT) which models sand-swimming using empirically determined granular drag laws. The simulation reveals that the forward speed of the center of mass (CoM) oscillates about its average speed in antiphase with head drag. The coupling between overall body motion and body deformation results in a non-trivial pattern in the magnitude of lateral displacement of the segments along the body. The actuator torque and segment power are maximal near the center of the body and decrease to zero toward the head and the tail. Approximately 30% of the net swimming power is dissipated in head drag. The power consumption is proportional to the frequency in the biologically relevant range, which confirms that frictional forces dominate during sand-swimming by the sandfish. Comparison of the segmental forces measured in simulation with the force on a laterally oscillating rod reveals that a granular hysteresis effect causes the overestimation of the body thrust forces in the RFT. Our models provide detailed testable predictions for biological locomotion in a granular environment.

Mechanics of Undulatory Swimming in a Frictional Fluid

PubMed Central

Ding, Yang; Sharpe, Sarah S.; Masse, Andrew; Goldman, Daniel I.

2012-01-01

The sandfish lizard (Scincus scincus) swims within granular media (sand) using axial body undulations to propel itself without the use of limbs. In previous work we predicted average swimming speed by developing a numerical simulation that incorporated experimentally measured biological kinematics into a multibody sandfish model. The model was coupled to an experimentally validated soft sphere discrete element method simulation of the granular medium. In this paper, we use the simulation to study the detailed mechanics of undulatory swimming in a “granular frictional fluid” and compare the predictions to our previously developed resistive force theory (RFT) which models sand-swimming using empirically determined granular drag laws. The simulation reveals that the forward speed of the center of mass (CoM) oscillates about its average speed in antiphase with head drag. The coupling between overall body motion and body deformation results in a non-trivial pattern in the magnitude of lateral displacement of the segments along the body. The actuator torque and segment power are maximal near the center of the body and decrease to zero toward the head and the tail. Approximately 30% of the net swimming power is dissipated in head drag. The power consumption is proportional to the frequency in the biologically relevant range, which confirms that frictional forces dominate during sand-swimming by the sandfish. Comparison of the segmental forces measured in simulation with the force on a laterally oscillating rod reveals that a granular hysteresis effect causes the overestimation of the body thrust forces in the RFT. Our models provide detailed testable predictions for biological locomotion in a granular environment. PMID:23300407

Patient-specific musculoskeletal modeling of the hip joint for preoperative planning of total hip arthroplasty: A validation study based on in vivo measurements

PubMed Central

Schick, Fabian; Asseln, Malte; Damm, Philipp; Radermacher, Klaus

2018-01-01

Validation of musculoskeletal models for application in preoperative planning is still a challenging task. Ideally, the simulation results of a patient-specific musculoskeletal model are compared to corresponding in vivo measurements. Currently, the only possibility to measure in vivo joint forces is to implant an instrumented prosthesis in patients undergoing a total joint replacement. In this study, a musculoskeletal model of the AnyBody Modeling System was adapted patient-specifically and validated against the in vivo hip joint force measurements of ten subjects performing one-leg stance and level walking. The impact of four model parameters was evaluated; hip joint width, muscle strength, muscle recruitment, and type of muscle model. The smallest difference between simulated and in vivo hip joint force was achieved by using the hip joint width measured in computed tomography images, a muscle strength of 90 N/cm2, a third order polynomial muscle recruitment, and a simple muscle model. This parameter combination reached mean deviations between simulation and in vivo measurement during the peak force phase of 12% ± 14% in magnitude and 11° ± 5° in orientation for one-leg stance and 8% ± 6% in magnitude and 10° ± 5° in orientation for level walking. PMID:29649235

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

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.

Subgrid-scale models for large-eddy simulation of rotating turbulent channel flows

NASA Astrophysics Data System (ADS)

Silvis, Maurits H.; Bae, Hyunji Jane; Trias, F. Xavier; Abkar, Mahdi; Moin, Parviz; Verstappen, Roel

2017-11-01

We aim to design subgrid-scale models for large-eddy simulation of rotating turbulent flows. Rotating turbulent flows form a challenging test case for large-eddy simulation due to the presence of the Coriolis force. The Coriolis force conserves the total kinetic energy while transporting it from small to large scales of motion, leading to the formation of large-scale anisotropic flow structures. The Coriolis force may also cause partial flow laminarization and the occurrence of turbulent bursts. Many subgrid-scale models for large-eddy simulation are, however, primarily designed to parametrize the dissipative nature of turbulent flows, ignoring the specific characteristics of transport processes. We, therefore, propose a new subgrid-scale model that, in addition to the usual dissipative eddy viscosity term, contains a nondissipative nonlinear model term designed to capture transport processes, such as those due to rotation. We show that the addition of this nonlinear model term leads to improved predictions of the energy spectra of rotating homogeneous isotropic turbulence as well as of the Reynolds stress anisotropy in spanwise-rotating plane-channel flows. This work is financed by the Netherlands Organisation for Scientific Research (NWO) under Project Number 613.001.212.

A superellipsoid-plane model for simulating foot-ground contact during human gait.

PubMed

Lopes, D S; Neptune, R R; Ambrósio, J A; Silva, M T

2016-01-01

Musculoskeletal models and forward dynamics simulations of human movement often include foot-ground interactions, with the foot-ground contact forces often determined using a constitutive model that depends on material properties and contact kinematics. When using soft constraints to model the foot-ground interactions, the kinematics of the minimum distance between the foot and planar ground needs to be computed. Due to their geometric simplicity, a considerable number of studies have used point-plane elements to represent these interacting bodies, but few studies have provided comparisons between point contact elements and other geometrically based analytical solutions. The objective of this work was to develop a more general-purpose superellipsoid-plane contact model that can be used to determine the three-dimensional foot-ground contact forces. As an example application, the model was used in a forward dynamics simulation of human walking. Simulation results and execution times were compared with a point-like viscoelastic contact model. Both models produced realistic ground reaction forces and kinematics with similar computational efficiency. However, solving the equations of motion with the surface contact model was found to be more efficient (~18% faster), and on average numerically ~37% less stiff. The superellipsoid-plane elements are also more versatile than point-like elements in that they allow for volumetric contact during three-dimensional motions (e.g. rotating, rolling, and sliding). In addition, the superellipsoid-plane element is geometrically accurate and easily integrated within multibody simulation code. These advantages make the use of superellipsoid-plane contact models in musculoskeletal simulations an appealing alternative to point-like elements.

Evolution of Precipitation Structure During the November DYNAMO MJO Event: Cloud-Resolving Model Intercomparison and Cross Validation Using Radar Observations

NASA Astrophysics Data System (ADS)

Li, Xiaowen; Janiga, Matthew A.; Wang, Shuguang; Tao, Wei-Kuo; Rowe, Angela; Xu, Weixin; Liu, Chuntao; Matsui, Toshihisa; Zhang, Chidong

2018-04-01

Evolution of precipitation structures are simulated and compared with radar observations for the November Madden-Julian Oscillation (MJO) event during the DYNAmics of the MJO (DYNAMO) field campaign. Three ground-based, ship-borne, and spaceborne precipitation radars and three cloud-resolving models (CRMs) driven by observed large-scale forcing are used to study precipitation structures at different locations over the central equatorial Indian Ocean. Convective strength is represented by 0-dBZ echo-top heights, and convective organization by contiguous 17-dBZ areas. The multi-radar and multi-model framework allows for more stringent model validations. The emphasis is on testing models' ability to simulate subtle differences observed at different radar sites when the MJO event passed through. The results show that CRMs forced by site-specific large-scale forcing can reproduce not only common features in cloud populations but also subtle variations observed by different radars. The comparisons also revealed common deficiencies in CRM simulations where they underestimate radar echo-top heights for the strongest convection within large, organized precipitation features. Cross validations with multiple radars and models also enable quantitative comparisons in CRM sensitivity studies using different large-scale forcing, microphysical schemes and parameters, resolutions, and domain sizes. In terms of radar echo-top height temporal variations, many model sensitivity tests have better correlations than radar/model comparisons, indicating robustness in model performance on this aspect. It is further shown that well-validated model simulations could be used to constrain uncertainties in observed echo-top heights when the low-resolution surveillance scanning strategy is used.

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.

Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

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

Deichmann, Gregor; Marcon, Valentina; Vegt, Nico F. A. van der, E-mail: vandervegt@csi.tu-darmstadt.de

Molecular simulations of soft matter systems have been performed in recent years using a variety of systematically coarse-grained models. With these models, structural or thermodynamic properties can be quite accurately represented while the prediction of dynamic properties remains difficult, especially for multi-component systems. In this work, we use constraint molecular dynamics simulations for calculating dissipative pair forces which are used together with conditional reversible work (CRW) conservative forces in dissipative particle dynamics (DPD) simulations. The combined CRW-DPD approach aims to extend the representability of CRW models to dynamic properties and uses a bottom-up approach. Dissipative pair forces are derived frommore » fluctuations of the direct atomistic forces between mapped groups. The conservative CRW potential is obtained from a similar series of constraint dynamics simulations and represents the reversible work performed to couple the direct atomistic interactions between the mapped atom groups. Neopentane, tetrachloromethane, cyclohexane, and n-hexane have been considered as model systems. These molecular liquids are simulated with atomistic molecular dynamics, coarse-grained molecular dynamics, and DPD. We find that the CRW-DPD models reproduce the liquid structure and diffusive dynamics of the liquid systems in reasonable agreement with the atomistic models when using single-site mapping schemes with beads containing five or six heavy atoms. For a two-site representation of n-hexane (3 carbons per bead), time scale separation can no longer be assumed and the DPD approach consequently fails to reproduce the atomistic dynamics.« less

Sensitivity of the interannual variability of mineral aerosol simulations to meteorological forcing dataset

DOE PAGES

Smith, Molly B.; Mahowald, Natalie M.; Albani, Samuel; ...

2017-03-07

Interannual variability in desert dust is widely observed and simulated, yet the sensitivity of these desert dust simulations to a particular meteorological dataset, as well as a particular model construction, is not well known. Here we use version 4 of the Community Atmospheric Model (CAM4) with the Community Earth System Model (CESM) to simulate dust forced by three different reanalysis meteorological datasets for the period 1990–2005. We then contrast the results of these simulations with dust simulated using online winds dynamically generated from sea surface temperatures, as well as with simulations conducted using other modeling frameworks but the same meteorological forcings, in order tomore » determine the sensitivity of climate model output to the specific reanalysis dataset used. For the seven cases considered in our study, the different model configurations are able to simulate the annual mean of the global dust cycle, seasonality and interannual variability approximately equally well (or poorly) at the limited observational sites available. Altogether, aerosol dust-source strength has remained fairly constant during the time period from 1990 to 2005, although there is strong seasonal and some interannual variability simulated in the models and seen in the observations over this time period. Model interannual variability comparisons to observations, as well as comparisons between models, suggest that interannual variability in dust is still difficult to simulate accurately, with averaged correlation coefficients of 0.1 to 0.6. Because of the large variability, at least 1 year of observations at most sites are needed to correctly observe the mean, but in some regions, particularly the remote oceans of the Southern Hemisphere, where interannual variability may be larger than in the Northern Hemisphere, 2–3 years of data are likely to be needed.« less

Molecular dynamics simulations of methane hydrate using polarizable force fields

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

Jiang, H.N.; Jordan, K.D.; Taylor, C.E.

2007-06-14

Molecular dynamics simulations of methane hydrate have been carried out using the polarizable AMOEBA and COS/G2 force fields. Properties calculated include the temperature dependence of the lattice constant, the OC and OO radial distribution functions, and the vibrational spectra. Both the AMOEBA and COS/G2 force fields are found to successfully account for the available experimental data, with overall somewhat better agreement with experiment being found for the AMOEBA model. Comparison is made with previous results obtained using TIP4P and SPC/E effective two-body force fields and the polarizable TIP4P-FQ force field, which allows for in-plane polarization only. Significant differences are foundmore » between the properties calculated using the TIP4P-FQ model and those obtained using the other models, indicating an inadequacy of restricting explicit polarization to in-plane onl« less

Piezoresistive Cantilever Performance—Part II: Optimization

PubMed Central

Park, Sung-Jin; Doll, Joseph C.; Rastegar, Ali J.; Pruitt, Beth L.

2010-01-01

Piezoresistive silicon cantilevers fabricated by ion implantation are frequently used for force, displacement, and chemical sensors due to their low cost and electronic readout. However, the design of piezoresistive cantilevers is not a straightforward problem due to coupling between the design parameters, constraints, process conditions, and performance. We systematically analyzed the effect of design and process parameters on force resolution and then developed an optimization approach to improve force resolution while satisfying various design constraints using simulation results. The combined simulation and optimization approach is extensible to other doping methods beyond ion implantation in principle. The optimization results were validated by fabricating cantilevers with the optimized conditions and characterizing their performance. The measurement results demonstrate that the analytical model accurately predicts force and displacement resolution, and sensitivity and noise tradeoff in optimal cantilever performance. We also performed a comparison between our optimization technique and existing models and demonstrated eight times improvement in force resolution over simplified models. PMID:20333323

Reducing numerical costs for core wide nuclear reactor CFD simulations by the Coarse-Grid-CFD

NASA Astrophysics Data System (ADS)

Viellieber, Mathias; Class, Andreas G.

2013-11-01

Traditionally complete nuclear reactor core simulations are performed with subchannel analysis codes, that rely on experimental and empirical input. The Coarse-Grid-CFD (CGCFD) intends to replace the experimental or empirical input with CFD data. The reactor core consists of repetitive flow patterns, allowing the general approach of creating a parametrized model for one segment and composing many of those to obtain the entire reactor simulation. The method is based on a detailed and well-resolved CFD simulation of one representative segment. From this simulation we extract so-called parametrized volumetric forces which close, an otherwise strongly under resolved, coarsely-meshed model of a complete reactor setup. While the formulation so far accounts for forces created internally in the fluid others e.g. obstruction and flow deviation through spacers and wire wraps, still need to be accounted for if the geometric details are not represented in the coarse mesh. These are modelled with an Anisotropic Porosity Formulation (APF). This work focuses on the application of the CGCFD to a complete reactor core setup and the accomplishment of the parametrization of the volumetric forces.

Resolution-Adapted All-Atomic and Coarse-Grained Model for Biomolecular Simulations.

PubMed

Shen, Lin; Hu, Hao

2014-06-10

We develop here an adaptive multiresolution method for the simulation of complex heterogeneous systems such as the protein molecules. The target molecular system is described with the atomistic structure while maintaining concurrently a mapping to the coarse-grained models. The theoretical model, or force field, used to describe the interactions between two sites is automatically adjusted in the simulation processes according to the interaction distance/strength. Therefore, all-atomic, coarse-grained, or mixed all-atomic and coarse-grained models would be used together to describe the interactions between a group of atoms and its surroundings. Because the choice of theory is made on the force field level while the sampling is always carried out in the atomic space, the new adaptive method preserves naturally the atomic structure and thermodynamic properties of the entire system throughout the simulation processes. The new method will be very useful in many biomolecular simulations where atomistic details are critically needed.

The Grand Challenges of Command and Control Policy

DTIC Science & Technology

2006-06-01

Memetic Warfare Memes are ideas that can be modeled and simulated. In a modern journalistic environment, dynamic information feedback from the theater...output type such that both adversarial meme processes and our counter anti- memetic activity could be modeled, simulated, and assessed. I am now...opposing force of the consequence of using biological or chemical weapons on the invading American forces. Do we have the proper memetic dynamics

Look and Feel: Haptic Interaction for Biomedicine

DTIC Science & Technology

1995-10-01

algorithm that is evaluated within the topology of the model. During each time step, forces are summed for each mobile atom based on external forces...volumetric properties; (b) conserving computation power by rendering media local to the interaction point; and (c) evaluating the simulation within...alteration of the model topology. Simulation of the DSM state is accomplished by a multi-step algorithm that is evaluated within the topology of the

Rolling Process Modeling Report: Finite-Element Prediction of Roll Separating Force and Rolling Defects

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

Soulami, Ayoub; Lavender, Curt A.; Paxton, Dean M.

2014-04-23

Pacific Northwest National Laboratory (PNNL) has been investigating manufacturing processes for the uranium-10% molybdenum (U-10Mo) alloy plate-type fuel for the U.S. high-performance research reactors. This work supports the Convert Program of the U.S. Department of Energy’s National Nuclear Security Administration (DOE/NNSA) Global Threat Reduction Initiative. This report documents modeling results of PNNL’s efforts to perform finite-element simulations to predict roll separating forces and rolling defects. Simulations were performed using a finite-element model developed using the commercial code LS-Dyna. Simulations of the hot rolling of U-10Mo coupons encapsulated in low-carbon steel have been conducted following two different schedules. Model predictions ofmore » the roll-separation force and roll-pack thicknesses at different stages of the rolling process were compared with experimental measurements. This report discusses various attributes of the rolled coupons revealed by the model (e.g., dog-boning and thickness non-uniformity).« less

Pairwise Force SPH Model for Real-Time Multi-Interaction Applications.

PubMed

Yang, Tao; Martin, Ralph R; Lin, Ming C; Chang, Jian; Hu, Shi-Min

2017-10-01

In this paper, we present a novel pairwise-force smoothed particle hydrodynamics (PF-SPH) model to enable simulation of various interactions at interfaces in real time. Realistic capture of interactions at interfaces is a challenging problem for SPH-based simulations, especially for scenarios involving multiple interactions at different interfaces. Our PF-SPH model can readily handle multiple types of interactions simultaneously in a single simulation; its basis is to use a larger support radius than that used in standard SPH. We adopt a novel anisotropic filtering term to further improve the performance of interaction forces. The proposed model is stable; furthermore, it avoids the particle clustering problem which commonly occurs at the free surface. We show how our model can be used to capture various interactions. We also consider the close connection between droplets and bubbles, and show how to animate bubbles rising in liquid as well as bubbles in air. Our method is versatile, physically plausible and easy-to-implement. Examples are provided to demonstrate the capabilities and effectiveness of our approach.

Simulation of Tip-Sample Interaction in the Atomic Force Microscope

NASA Technical Reports Server (NTRS)

Good, Brian S.; Banerjea, Amitava

1994-01-01

Recent simulations of the interaction between planar surfaces and model Atomic Force Microscope (AFM) tips have suggested that there are conditions under which the tip may become unstable and 'avalanche' toward the sample surface. Here we investigate via computer simulation the stability of a variety of model AFM tip configurations with respect to the avalanche transition for a number of fcc metals. We perform Monte-Carlo simulations at room temperature using the Equivalent Crystal Theory (ECT) of Smith and Banerjea. Results are compared with recent experimental results as well as with our earlier work on the avalanche of parallel planar surfaces. Our results on a model single-atom tip are in excellent agreement with recent experiments on tunneling through mechanically-controlled break junctions.

Force and Stress along Simulated Dissociation Pathways of Cucurbituril-Guest Systems.

PubMed

Velez-Vega, Camilo; Gilson, Michael K

2012-03-13

The field of host-guest chemistry provides computationally tractable yet informative model systems for biomolecular recognition. We applied molecular dynamics simulations to study the forces and mechanical stresses associated with forced dissociation of aqueous cucurbituril-guest complexes with high binding affinities. First, the unbinding transitions were modeled with constant velocity pulling (steered dynamics) and a soft spring constant, to model atomic force microscopy (AFM) experiments. The computed length-force profiles yield rupture forces in good agreement with available measurements. We also used steered dynamics with high spring constants to generate paths characterized by a tight control over the specified pulling distance; these paths were then equilibrated via umbrella sampling simulations and used to compute time-averaged mechanical stresses along the dissociation pathways. The stress calculations proved to be informative regarding the key interactions determining the length-force profiles and rupture forces. In particular, the unbinding transition of one complex is found to be a stepwise process, which is initially dominated by electrostatic interactions between the guest's ammoniums and the host's carbonyl groups, and subsequently limited by the extraction of the guest's bulky bicyclooctane moiety; the latter step requires some bond stretching at the cucurbituril's extraction portal. Conversely, the dissociation of a second complex with a more slender guest is mainly driven by successive electrostatic interactions between the different guest's ammoniums and the host's carbonyl groups. The calculations also provide information on the origins of thermodynamic irreversibilities in these forced dissociation processes.

A Systematic Approach to Predicting Spring Force for Sagittal Craniosynostosis Surgery.

PubMed

Zhang, Guangming; Tan, Hua; Qian, Xiaohua; Zhang, Jian; Li, King; David, Lisa R; Zhou, Xiaobo

2016-05-01

Spring-assisted surgery (SAS) can effectively treat scaphocephaly by reshaping crania with the appropriate spring force. However, it is difficult to accurately estimate spring force without considering biomechanical properties of tissues. This study presents and validates a reliable system to accurately predict the spring force for sagittal craniosynostosis surgery. The authors randomly chose 23 patients who underwent SAS and had been followed for at least 2 years. An elastic model was designed to characterize the biomechanical behavior of calvarial bone tissue for each individual. After simulating the contact force on accurate position of the skull strip with the springs, the finite element method was applied to calculating the stress of each tissue node based on the elastic model. A support vector regression approach was then used to model the relationships between biomechanical properties generated from spring force, bone thickness, and the change of cephalic index after surgery. Therefore, for a new patient, the optimal spring force can be predicted based on the learned model with virtual spring simulation and dynamic programming approach prior to SAS. Leave-one-out cross-validation was implemented to assess the accuracy of our prediction. As a result, the mean prediction accuracy of this model was 93.35%, demonstrating the great potential of this model as a useful adjunct for preoperative planning tool.

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.

Computational modeling to predict mechanical function of joints: application to the lower leg with simulation of two cadaver studies.

PubMed

Liacouras, Peter C; Wayne, Jennifer S

2007-12-01

Computational models of musculoskeletal joints and limbs can provide useful information about joint mechanics. Validated models can be used as predictive devices for understanding joint function and serve as clinical tools for predicting the outcome of surgical procedures. A new computational modeling approach was developed for simulating joint kinematics that are dictated by bone/joint anatomy, ligamentous constraints, and applied loading. Three-dimensional computational models of the lower leg were created to illustrate the application of this new approach. Model development began with generating three-dimensional surfaces of each bone from CT images and then importing into the three-dimensional solid modeling software SOLIDWORKS and motion simulation package COSMOSMOTION. Through SOLIDWORKS and COSMOSMOTION, each bone surface file was filled to create a solid object and positioned necessary components added, and simulations executed. Three-dimensional contacts were added to inhibit intersection of the bones during motion. Ligaments were represented as linear springs. Model predictions were then validated by comparison to two different cadaver studies, syndesmotic injury and repair and ankle inversion following ligament transection. The syndesmotic injury model was able to predict tibial rotation, fibular rotation, and anterior/posterior displacement. In the inversion simulation, calcaneofibular ligament extension and angles of inversion compared well. Some experimental data proved harder to simulate accurately, due to certain software limitations and lack of complete experimental data. Other parameters that could not be easily obtained experimentally can be predicted and analyzed by the computational simulations. In the syndesmotic injury study, the force generated in the tibionavicular and calcaneofibular ligaments reduced with the insertion of the staple, indicating how this repair technique changes joint function. After transection of the calcaneofibular ligament in the inversion stability study, a major increase in force was seen in several of the ligaments on the lateral aspect of the foot and ankle, indicating the recruitment of other structures to permit function after injury. Overall, the computational models were able to predict joint kinematics of the lower leg with particular focus on the ankle complex. This same approach can be taken to create models of other limb segments such as the elbow and wrist. Additional parameters can be calculated in the models that are not easily obtained experimentally such as ligament forces, force transmission across joints, and three-dimensional movement of all bones. Muscle activation can be incorporated in the model through the action of applied forces within the software for future studies.

The simulation of a propulsive jet and force measurement using a magnetically suspended wind tunnel model

NASA Technical Reports Server (NTRS)

Garbutt, K. S.; Goodyer, M. J.

1994-01-01

Models featuring the simulation of exhaust jets were developed for magnetic levitation in a wind tunnel. The exhaust gas was stored internally producing a discharge of sufficient duration to allow nominal steady state to be reached. The gas was stored in the form of compressed gas or a solid rocket propellant. Testing was performed with the levitated models although deficiencies prevented the detection of jet-induced aerodynamic effects. Difficulties with data reduction led to the development of a new force calibration technique, used in conjunction with an exhaust simulator and also in separate high incidence aerodynamic tests.

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.

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.

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.

Photosynthetic productivity and its efficiencies in ISIMIP2a biome models: benchmarking for impact assessment studies

NASA Astrophysics Data System (ADS)

Ito, Akihiko; Nishina, Kazuya; Reyer, Christopher P. O.; François, Louis; Henrot, Alexandra-Jane; Munhoven, Guy; Jacquemin, Ingrid; Tian, Hanqin; Yang, Jia; Pan, Shufen; Morfopoulos, Catherine; Betts, Richard; Hickler, Thomas; Steinkamp, Jörg; Ostberg, Sebastian; Schaphoff, Sibyll; Ciais, Philippe; Chang, Jinfeng; Rafique, Rashid; Zeng, Ning; Zhao, Fang

2017-08-01

Simulating vegetation photosynthetic productivity (or gross primary production, GPP) is a critical feature of the biome models used for impact assessments of climate change. We conducted a benchmarking of global GPP simulated by eight biome models participating in the second phase of the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP2a) with four meteorological forcing datasets (30 simulations), using independent GPP estimates and recent satellite data of solar-induced chlorophyll fluorescence as a proxy of GPP. The simulated global terrestrial GPP ranged from 98 to 141 Pg C yr-1 (1981-2000 mean); considerable inter-model and inter-data differences were found. Major features of spatial distribution and seasonal change of GPP were captured by each model, showing good agreement with the benchmarking data. All simulations showed incremental trends of annual GPP, seasonal-cycle amplitude, radiation-use efficiency, and water-use efficiency, mainly caused by the CO2 fertilization effect. The incremental slopes were higher than those obtained by remote sensing studies, but comparable with those by recent atmospheric observation. Apparent differences were found in the relationship between GPP and incoming solar radiation, for which forcing data differed considerably. The simulated GPP trends co-varied with a vegetation structural parameter, leaf area index, at model-dependent strengths, implying the importance of constraining canopy properties. In terms of extreme events, GPP anomalies associated with a historical El Niño event and large volcanic eruption were not consistently simulated in the model experiments due to deficiencies in both forcing data and parameterized environmental responsiveness. Although the benchmarking demonstrated the overall advancement of contemporary biome models, further refinements are required, for example, for solar radiation data and vegetation canopy schemes.

Sensitivity of the Carolina Coastal Ocean Circulation to Open Boundary and Atmospheric Forcing

NASA Astrophysics Data System (ADS)

Liu, X.; Xie, L.; Pietrafesa, L.

2003-12-01

The ocean circulation on the continental shelf off the Carolina coast is characterized by a complex flow regime and temporal variability, which is influenced by atmospheric forcing, the Gulf Stream system, complex coastline and bathymetry, river discharge and tidal forcing. In this study, a triple-nested, HYbrid Coordinate Ocean Model (HYCOM) is used to simulate the coastal ocean circulation on the continental shelf off the Carolina coast and its interactions with the offshore large-scale ocean circulation system. The horizontal mesh size in the innermost domain was set to 1 km, whereas the outermost domain coincides with the near real-time 1/12­’ Atlantic HYCOM Nowcast/Forecast System operated at the Naval Research Laboratory. The intermediate domain uses a mesh size of 3 km. Atmospheric forcing fields for the Carolina coastal region are derived from the NOAA operational ETA model, the ECMWF reanalysis fields and NCEP/NCAR reanalysis fields. These forcing fields are derived at 0.8›¦, 1.125›¦ and 1.875›¦ resolutions, and at intervals of 6 hour, daily and monthly. The sensitivity of the model results to the spatial and temporal resolution of the atmospheric forcing fields is analyzed. To study the dependence of the model sensitivity on the model grid size, single-window simulations at resolutions of 1km, 3km and 9km are carried out using the same forcing fields that were applied to the nested system. Comparisons between the nested and the single domain simulation results will be presented.

Fluid–Structure Interaction Analysis of Papillary Muscle Forces Using a Comprehensive Mitral Valve Model with 3D Chordal Structure

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

Toma, Milan; Jensen, Morten Ø.; Einstein, Daniel R.

2015-07-17

Numerical models of native heart valves are being used to study valve biomechanics to aid design and development of repair procedures and replacement devices. These models have evolved from simple two-dimensional approximations to complex three-dimensional, fully coupled fluid-structure interaction (FSI) systems. Such simulations are useful for predicting the mechanical and hemodynamic loading on implanted valve devices. A current challenge for improving the accuracy of these predictions is choosing and implementing modeling boundary conditions. In order to address this challenge, we are utilizing an advanced in-vitro system to validate FSI conditions for the mitral valve system. Explanted ovine mitral valves weremore » mounted in an in vitro setup, and structural data for the mitral valve was acquired with *CT. Experimental data from the in-vitro ovine mitral valve system were used to validate the computational model. As the valve closes, the hemodynamic data, high speed lea et dynamics, and force vectors from the in-vitro system were compared to the results of the FSI simulation computational model. The total force of 2.6 N per papillary muscle is matched by the computational model. In vitro and in vivo force measurements are important in validating and adjusting material parameters in computational models. The simulations can then be used to answer questions that are otherwise not possible to investigate experimentally. This work is important to maximize the validity of computational models of not just the mitral valve, but any biomechanical aspect using computational simulation in designing medical devices.« less

Fluid-Structure Interaction Analysis of Papillary Muscle Forces Using a Comprehensive Mitral Valve Model with 3D Chordal Structure.

PubMed

Toma, Milan; Jensen, Morten Ø; Einstein, Daniel R; Yoganathan, Ajit P; Cochran, Richard P; Kunzelman, Karyn S

2016-04-01

Numerical models of native heart valves are being used to study valve biomechanics to aid design and development of repair procedures and replacement devices. These models have evolved from simple two-dimensional approximations to complex three-dimensional, fully coupled fluid-structure interaction (FSI) systems. Such simulations are useful for predicting the mechanical and hemodynamic loading on implanted valve devices. A current challenge for improving the accuracy of these predictions is choosing and implementing modeling boundary conditions. In order to address this challenge, we are utilizing an advanced in vitro system to validate FSI conditions for the mitral valve system. Explanted ovine mitral valves were mounted in an in vitro setup, and structural data for the mitral valve was acquired with [Formula: see text]CT. Experimental data from the in vitro ovine mitral valve system were used to validate the computational model. As the valve closes, the hemodynamic data, high speed leaflet dynamics, and force vectors from the in vitro system were compared to the results of the FSI simulation computational model. The total force of 2.6 N per papillary muscle is matched by the computational model. In vitro and in vivo force measurements enable validating and adjusting material parameters to improve the accuracy of computational models. The simulations can then be used to answer questions that are otherwise not possible to investigate experimentally. This work is important to maximize the validity of computational models of not just the mitral valve, but any biomechanical aspect using computational simulation in designing medical devices.

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.

A simple polymeric model describes cell nuclear mechanical response

NASA Astrophysics Data System (ADS)

Banigan, Edward; Stephens, Andrew; Marko, John

The cell nucleus must continually resist inter- and intracellular mechanical forces, and proper mechanical response is essential to basic cell biological functions as diverse as migration, differentiation, and gene regulation. Experiments probing nuclear mechanics reveal that the nucleus stiffens under strain, leading to two characteristic regimes of force response. This behavior depends sensitively on the intermediate filament protein lamin A, which comprises the outer layer of the nucleus, and the properties of the chromatin interior. To understand these mechanics, we study a simulation model of a polymeric shell encapsulating a semiflexible polymer. This minimalistic model qualitatively captures the typical experimental nuclear force-extension relation and observed nuclear morphologies. Using a Flory-like theory, we explain the simulation results and mathematically estimate the force-extension relation. The model and experiments suggest that chromatin organization is a dominant contributor to nuclear mechanics, while the lamina protects cell nuclei from large deformations.

Parametrization of Stillinger-Weber potential based on valence force field model: application to single-layer MoS2 and black phosphorus

NASA Astrophysics Data System (ADS)

Jiang, Jin-Wu

2015-08-01

We propose parametrizing the Stillinger-Weber potential for covalent materials starting from the valence force-field model. All geometrical parameters in the Stillinger-Weber potential are determined analytically according to the equilibrium condition for each individual potential term, while the energy parameters are derived from the valence force-field model. This parametrization approach transfers the accuracy of the valence force field model to the Stillinger-Weber potential. Furthermore, the resulting Stilliinger-Weber potential supports stable molecular dynamics simulations, as each potential term is at an energy-minimum state separately at the equilibrium configuration. We employ this procedure to parametrize Stillinger-Weber potentials for single-layer MoS2 and black phosphorous. The obtained Stillinger-Weber potentials predict an accurate phonon spectrum and mechanical behaviors. We also provide input scripts of these Stillinger-Weber potentials used by publicly available simulation packages including GULP and LAMMPS.

Parametrization of Stillinger-Weber potential based on valence force field model: application to single-layer MoS2 and black phosphorus.

PubMed

Jiang, Jin-Wu

2015-08-07

We propose parametrizing the Stillinger-Weber potential for covalent materials starting from the valence force-field model. All geometrical parameters in the Stillinger-Weber potential are determined analytically according to the equilibrium condition for each individual potential term, while the energy parameters are derived from the valence force-field model. This parametrization approach transfers the accuracy of the valence force field model to the Stillinger-Weber potential. Furthermore, the resulting Stilliinger-Weber potential supports stable molecular dynamics simulations, as each potential term is at an energy-minimum state separately at the equilibrium configuration. We employ this procedure to parametrize Stillinger-Weber potentials for single-layer MoS2 and black phosphorous. The obtained Stillinger-Weber potentials predict an accurate phonon spectrum and mechanical behaviors. We also provide input scripts of these Stillinger-Weber potentials used by publicly available simulation packages including GULP and LAMMPS.

Uncertainties in Past and Future Global Water Availability

NASA Astrophysics Data System (ADS)

Sheffield, J.; Kam, J.

2014-12-01

Understanding how water availability changes on inter-annual to decadal time scales and how it may change in the future under climate change are a key part of understanding future stresses on water and food security. Historic evaluations of water availability on regional to global scales are generally based on large-scale model simulations with their associated uncertainties, in particular for long-term changes. Uncertainties are due to model errors and missing processes, parameter uncertainty, and errors in meteorological forcing data. Recent multi-model inter-comparisons and impact studies have highlighted large differences for past reconstructions, due to different simplifying assumptions in the models or the inclusion of physical processes such as CO2 fertilization. Modeling of direct anthropogenic factors such as water and land management also carry large uncertainties in their physical representation and from lack of socio-economic data. Furthermore, there is little understanding of the impact of uncertainties in the meteorological forcings that underpin these historic simulations. Similarly, future changes in water availability are highly uncertain due to climate model diversity, natural variability and scenario uncertainty, each of which dominates at different time scales. In particular, natural climate variability is expected to dominate any externally forced signal over the next several decades. We present results from multi-land surface model simulations of the historic global availability of water in the context of natural variability (droughts) and long-term changes (drying). The simulations take into account the impact of uncertainties in the meteorological forcings and the incorporation of water management in the form of reservoirs and irrigation. The results indicate that model uncertainty is important for short-term drought events, and forcing uncertainty is particularly important for long-term changes, especially uncertainty in precipitation due to reduced gauge density in recent years. We also discuss uncertainties in future projections from these models as driven by bias-corrected and downscaled CMIP5 climate projections, in the context of the balance between climate model robustness and climate model diversity.

Mars Tumbleweed Simulation Using Singular Perturbation Theory

NASA Technical Reports Server (NTRS)

Raiszadeh, Behzad; Calhoun, Phillip

2005-01-01

The Mars Tumbleweed is a new surface rover concept that utilizes Martian winds as the primary source of mobility. Several designs have been proposed for the Mars Tumbleweed, all using aerodynamic drag to generate force for traveling about the surface. The Mars Tumbleweed, in its deployed configuration, must be large and lightweight to provide the ratio of drag force to rolling resistance necessary to initiate motion from the Martian surface. This paper discusses the dynamic simulation details of a candidate Tumbleweed design. The dynamic simulation model must properly evaluate and characterize the motion of the tumbleweed rover to support proper selection of system design parameters. Several factors, such as model flexibility, simulation run times, and model accuracy needed to be considered in modeling assumptions. The simulation was required to address the flexibility of the rover and its interaction with the ground, and properly evaluate its mobility. Proper assumptions needed to be made such that the simulated dynamic motion is accurate and realistic while not overly burdened by long simulation run times. This paper also shows results that provided reasonable correlation between the simulation and a drop/roll test of a tumbleweed prototype.

A Model Study of Zonal Forcing in the Equatorial Stratosphere by Convectively Induced Gravity Waves

NASA Technical Reports Server (NTRS)

Alexander, M. J.; Holton, James R.

1997-01-01

A two-dimensional cloud-resolving model is used to examine the possible role of gravity waves generated by a simulated tropical squall line in forcing the quasi-biennial oscillation (QBO) of the zonal winds in the equatorial stratosphere. A simulation with constant background stratospheric winds is compared to simulations with background winds characteristic of the westerly and easterly QBO phases, respectively. In all three cases a broad spectrum of both eastward and westward propagating gravity waves is excited. In the constant background wind case the vertical momentum flux is nearly constant with height in the stratosphere, after correction for waves leaving the model domain. In the easterly and westerly shear cases, however, westward and eastward propagating waves, respectively, are strongly damped as they approach their critical levels, owing to the strongly scale-dependent vertical diffusion in the model. The profiles of zonal forcing induced by this wave damping are similar to profiles given by critical level absorption, but displaced slightly downward. The magnitude of the zonal forcing is of order 5 m/s/day. It is estimated that if 2% of the area of the Tropics were occupied by storms of similar magnitude, mesoscale gravity waves could provide nearly 1/4 of the zonal forcing required for the QBO.

Research on key factors and their interaction effects of electromagnetic force of high-speed solenoid valve.

PubMed

Liu, Peng; Fan, Liyun; Hayat, Qaisar; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined.

Research on Key Factors and Their Interaction Effects of Electromagnetic Force of High-Speed Solenoid Valve

PubMed Central

Fan, Liyun; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined. PMID:25243217

On the long-term memory of the Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Rogozhina, I.; Martinec, Z.; Hagedoorn, J. M.; Thomas, M.; Fleming, K.

2011-03-01

In this study, the memory of the Greenland Ice Sheet (GIS) with respect to its past states is analyzed. According to ice core reconstructions, the present-day GIS reflects former climatic conditions dating back to at least 250 thousand years before the present (kyr BP). This fact must be considered when initializing an ice sheet model. The common initialization techniques are paleoclimatic simulations driven by atmospheric forcing inferred from ice core records and steady state simulations driven by the present-day or past climatic conditions. When paleoclimatic simulations are used, the information about the past climatic conditions is partly reflected in the resulting present-day state of the GIS. However, there are several important questions that need to be clarified. First, for how long does the model remember its initial state? Second, it is generally acknowledged that, prior to 100 kyr BP, the longest Greenland ice core record (GRIP) is distorted by ice-flow irregularities. The question arises as to what extent do the uncertainties inherent in the GRIP-based forcing influence the resulting GIS? Finally, how is the modeled thermodynamic state affected by the choice of initialization technique (paleo or steady state)? To answer these questions, a series of paleoclimatic and steady state simulations is carried out. We conclude that (1) the choice of an ice-covered initial configuration shortens the initialization simulation time to 100 kyr, (2) the uncertainties in the GRIP-based forcing affect present-day modeled ice-surface topographies and temperatures only slightly, and (3) the GIS forced by present-day climatic conditions is overall warmer than that resulting from a paleoclimatic simulation.

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.

Evaluating the Performance of the Goddard Multi-Scale Modeling Framework against GPM, TRMM and CloudSat/CALIPSO Products

NASA Astrophysics Data System (ADS)

Chern, J. D.; Tao, W. K.; Lang, S. E.; Matsui, T.; Mohr, K. I.

2014-12-01

Four six-month (March-August 2014) experiments with the Goddard Multi-scale Modeling Framework (MMF) were performed to study the impacts of different Goddard one-moment bulk microphysical schemes and large-scale forcings on the performance of the MMF. Recently a new Goddard one-moment bulk microphysics with four-ice classes (cloud ice, snow, graupel, and frozen drops/hail) has been developed based on cloud-resolving model simulations with large-scale forcings from field campaign observations. The new scheme has been successfully implemented to the MMF and two MMF experiments were carried out with this new scheme and the old three-ice classes (cloud ice, snow graupel) scheme. The MMF has global coverage and can rigorously evaluate microphysics performance for different cloud regimes. The results show MMF with the new scheme outperformed the old one. The MMF simulations are also strongly affected by the interaction between large-scale and cloud-scale processes. Two MMF sensitivity experiments with and without nudging large-scale forcings to those of ERA-Interim reanalysis were carried out to study the impacts of large-scale forcings. The model simulated mean and variability of surface precipitation, cloud types, cloud properties such as cloud amount, hydrometeors vertical profiles, and cloud water contents, etc. in different geographic locations and climate regimes are evaluated against GPM, TRMM, CloudSat/CALIPSO satellite observations. The Goddard MMF has also been coupled with the Goddard Satellite Data Simulation Unit (G-SDSU), a system with multi-satellite, multi-sensor, and multi-spectrum satellite simulators. The statistics of MMF simulated radiances and backscattering can be directly compared with satellite observations to assess the strengths and/or deficiencies of MMF simulations and provide guidance on how to improve the MMF and microphysics.

Computational model to investigate the relative contributions of different neuromuscular properties of tibialis anterior on force generated during ankle dorsiflexion.

PubMed

Siddiqi, Ariba; Poosapadi Arjunan, Sridhar; Kumar, Dinesh Kant

2018-01-16

This study describes a new model of the force generated by tibialis anterior muscle with three new features: single-fiber action potential, twitch force, and pennation angle. This model was used to investigate the relative effects and interaction of ten age-associated neuromuscular parameters. Regression analysis (significance level of 0.05) between the neuromuscular properties and corresponding simulated force produced at the footplate was performed. Standardized slope coefficients were computed to rank the effect of the parameters. The results show that reduction in the average firing rate is the reason for the sharp decline in the force and other factors, such as number of muscle fibers, specific force, pennation angle, and innervation ratio. The fast fiber ratio affects the simulated force through two significant interactions. This study has ranked the individual contributions of the neuromuscular factors to muscle strength decline of the TA and identified firing rate decline as the biggest cause followed by decrease in muscle fiber number and specific force. The strategy for strength preservation for the elderly should focus on improving firing rate. Graphical abstract Neuromuscular properties of Tibialis Anterior on force generated during ankle dorsiflexion.

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.

Assessment of zero-equation SGS models for simulating indoor environment

NASA Astrophysics Data System (ADS)

Taghinia, Javad; Rahman, Md Mizanur; Tse, Tim K. T.

2016-12-01

The understanding of air-flow in enclosed spaces plays a key role to designing ventilation systems and indoor environment. The computational fluid dynamics aspects dictate that the large eddy simulation (LES) offers a subtle means to analyze complex flows with recirculation and streamline curvature effects, providing more robust and accurate details than those of Reynolds-averaged Navier-Stokes simulations. This work assesses the performance of two zero-equation sub-grid scale models: the Rahman-Agarwal-Siikonen-Taghinia (RAST) model with a single grid-filter and the dynamic Smagorinsky model with grid-filter and test-filter scales. This in turn allows a cross-comparison of the effect of two different LES methods in simulating indoor air-flows with forced and mixed (natural + forced) convection. A better performance against experiments is indicated with the RAST model in wall-bounded non-equilibrium indoor air-flows; this is due to its sensitivity toward both the shear and vorticity parameters.

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.

A method for modeling contact dynamics for automated capture mechanisms

NASA Technical Reports Server (NTRS)

Williams, Philip J.

1991-01-01

Logicon Control Dynamics develops contact dynamics models for space-based docking and berthing vehicles. The models compute contact forces for the physical contact between mating capture mechanism surfaces. Realistic simulation requires proportionality constants, for calculating contact forces, to approximate surface stiffness of contacting bodies. Proportionality for rigid metallic bodies becomes quite large. Small penetrations of surface boundaries can produce large contact forces.

Simulation of nanopowder compaction in terms of granular dynamics

NASA Astrophysics Data System (ADS)

Boltachev, G. Sh.; Volkov, N. B.

2011-07-01

The uniaxial compaction of nanopowders is simulated using the granular dynamics in the 2D geometry. The initial arrangement of particles is represented by (i) a layer of particles executing Brownian motion (isotropic structures) and (ii) particles falling in the gravity field (anisotropic structures). The influence of size effects and the size of a model cell on the properties of the structures are studied. The compaction of the model cell is simulated with regard to Hertz elastic forces between particles, Cattaneo-Mindlin-Deresiewicz shear friction forces, and van der Waals-Hamaker dispersion forces of attraction. Computation is performed for monodisperse powders with particle sizes ranging from 10 to 400 nm and for "cohesionless" powder, in which attractive forces are absent. It is shown that taking into account dispersion forces makes it possible to simulate the size effect in the nanopowder compaction: the compressibility of the nanopowder drops as the particles get finer. The mean coordination number and the axial and lateral pressures in the powder systems are found, and the effect of the density and isotropy of the initial structure on the compressibility is analyzed. The applicability of well-known Rumpf's formula for the size effect is discussed.

Uncertainty Propagation of Non-Parametric-Derived Precipitation Estimates into Multi-Hydrologic Model Simulations

NASA Astrophysics Data System (ADS)

Bhuiyan, M. A. E.; Nikolopoulos, E. I.; Anagnostou, E. N.

2017-12-01

Quantifying the uncertainty of global precipitation datasets is beneficial when using these precipitation products in hydrological applications, because precipitation uncertainty propagation through hydrologic modeling can significantly affect the accuracy of the simulated hydrologic variables. In this research the Iberian Peninsula has been used as the study area with a study period spanning eleven years (2000-2010). This study evaluates the performance of multiple hydrologic models forced with combined global rainfall estimates derived based on a Quantile Regression Forests (QRF) technique. In QRF technique three satellite precipitation products (CMORPH, PERSIANN, and 3B42 (V7)); an atmospheric reanalysis precipitation and air temperature dataset; satellite-derived near-surface daily soil moisture data; and a terrain elevation dataset are being utilized in this study. A high-resolution, ground-based observations driven precipitation dataset (named SAFRAN) available at 5 km/1 h resolution is used as reference. Through the QRF blending framework the stochastic error model produces error-adjusted ensemble precipitation realizations, which are used to force four global hydrological models (JULES (Joint UK Land Environment Simulator), WaterGAP3 (Water-Global Assessment and Prognosis), ORCHIDEE (Organizing Carbon and Hydrology in Dynamic Ecosystems) and SURFEX (Stands for Surface Externalisée) ) to simulate three hydrologic variables (surface runoff, subsurface runoff and evapotranspiration). The models are forced with the reference precipitation to generate reference-based hydrologic simulations. This study presents a comparative analysis of multiple hydrologic model simulations for different hydrologic variables and the impact of the blending algorithm on the simulated hydrologic variables. Results show how precipitation uncertainty propagates through the different hydrologic model structures to manifest in reduction of error in hydrologic variables.

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.

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.

Computational Fluid Dynamics Study of Swimmer's Hand Velocity, Orientation, and Shape: Contributions to Hydrodynamics

PubMed Central

Bilinauskaite, Milda; Mantha, Vishveshwar Rajendra; Rouboa, Abel Ilah; Ziliukas, Pranas; Silva, Antonio Jose

2013-01-01

The aim of this paper is to determine the hydrodynamic characteristics of swimmer's scanned hand models for various combinations of both the angle of attack and the sweepback angle and shape and velocity of swimmer's hand, simulating separate underwater arm stroke phases of freestyle (front crawl) swimming. Four realistic 3D models of swimmer's hand corresponding to different combinations of separated/closed fingers positions were used to simulate different underwater front crawl phases. The fluid flow was simulated using FLUENT (ANSYS, PA, USA). Drag force and drag coefficient were calculated using (computational fluid dynamics) CFD in steady state. Results showed that the drag force and coefficient varied at the different flow velocities on all shapes of the hand and variation was observed for different hand positions corresponding to different stroke phases. The models of the hand with thumb adducted and abducted generated the highest drag forces and drag coefficients. The current study suggests that the realistic variation of both the orientation angles influenced higher values of drag, lift, and resultant coefficients and forces. To augment resultant force, which affects swimmer's propulsion, the swimmer should concentrate in effectively optimising achievable hand areas during crucial propulsive phases. PMID:23691493

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

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.

Predictive Simulations of Neuromuscular Coordination and Joint-Contact Loading in Human Gait.

PubMed

Lin, Yi-Chung; Walter, Jonathan P; Pandy, Marcus G

2018-04-18

We implemented direct collocation on a full-body neuromusculoskeletal model to calculate muscle forces, ground reaction forces and knee contact loading simultaneously for one cycle of human gait. A data-tracking collocation problem was solved for walking at the normal speed to establish the practicality of incorporating a 3D model of articular contact and a model of foot-ground interaction explicitly in a dynamic optimization simulation. The data-tracking solution then was used as an initial guess to solve predictive collocation problems, where novel patterns of movement were generated for walking at slow and fast speeds, independent of experimental data. The data-tracking solutions accurately reproduced joint motion, ground forces and knee contact loads measured for two total knee arthroplasty patients walking at their preferred speeds. RMS errors in joint kinematics were < 2.0° for rotations and < 0.3 cm for translations while errors in the model-computed ground-reaction and knee-contact forces were < 0.07 BW and < 0.4 BW, respectively. The predictive solutions were also consistent with joint kinematics, ground forces, knee contact loads and muscle activation patterns measured for slow and fast walking. The results demonstrate the feasibility of performing computationally-efficient, predictive, dynamic optimization simulations of movement using full-body, muscle-actuated models with realistic representations of joint function.

Nanoscale effects in the characterization of viscoelastic materials with atomic force microscopy: coupling of a quasi-three-dimensional standard linear solid model with in-plane surface interactions.

PubMed

Solares, Santiago D

2016-01-01

Significant progress has been accomplished in the development of experimental contact-mode and dynamic-mode atomic force microscopy (AFM) methods designed to measure surface material properties. However, current methods are based on one-dimensional (1D) descriptions of the tip-sample interaction forces, thus neglecting the intricacies involved in the material behavior of complex samples (such as soft viscoelastic materials) as well as the differences in material response between the surface and the bulk. In order to begin to address this gap, a computational study is presented where the sample is simulated using an enhanced version of a recently introduced model that treats the surface as a collection of standard-linear-solid viscoelastic elements. The enhanced model introduces in-plane surface elastic forces that can be approximately related to a two-dimensional (2D) Young's modulus. Relevant cases are discussed for single- and multifrequency intermittent-contact AFM imaging, with focus on the calculated surface indentation profiles and tip-sample interaction force curves, as well as their implications with regards to experimental interpretation. A variety of phenomena are examined in detail, which highlight the need for further development of more physically accurate sample models that are specifically designed for AFM simulation. A multifrequency AFM simulation tool based on the above sample model is provided as supporting information.

Multiscale contact mechanics model for RF-MEMS switches with quantified uncertainties

NASA Astrophysics Data System (ADS)

Kim, Hojin; Huda Shaik, Nurul; Xu, Xin; Raman, Arvind; Strachan, Alejandro

2013-12-01

We introduce a multiscale model for contact mechanics between rough surfaces and apply it to characterize the force-displacement relationship for a metal-dielectric contact relevant for radio frequency micro-electromechanicl system (MEMS) switches. We propose a mesoscale model to describe the history-dependent force-displacement relationships in terms of the surface roughness, the long-range attractive interaction between the two surfaces, and the repulsive interaction between contacting asperities (including elastic and plastic deformation). The inputs to this model are the experimentally determined surface topography and the Hamaker constant as well as the mechanical response of individual asperities obtained from density functional theory calculations and large-scale molecular dynamics simulations. The model captures non-trivial processes including the hysteresis during loading and unloading due to plastic deformation, yet it is computationally efficient enough to enable extensive uncertainty quantification and sensitivity analysis. We quantify how uncertainties and variability in the input parameters, both experimental and theoretical, affect the force-displacement curves during approach and retraction. In addition, a sensitivity analysis quantifies the relative importance of the various input quantities for the prediction of force-displacement during contact closing and opening. The resulting force-displacement curves with quantified uncertainties can be directly used in device-level simulations of micro-switches and enable the incorporation of atomic and mesoscale phenomena in predictive device-scale simulations.

Evaluating surface transport predictions of alternative ocean-atmosphere models using surface drifters in the Belizean Barrier Reef

NASA Astrophysics Data System (ADS)

Lindo-Atichati, D.; Curcic, M.; Paris, C. B.; Buston, P. M.

2016-02-01

Determining the appropriate resolution of circulation models often lacks statistical evaluation. Thus, the gains from implementing high-resolution versus less-costly low-resolution models are not always clear. Here we construct a hierarchy of ocean-atmosphere models operating at multiple-scales within a 1×1° domain of the Belizean Barrier Reef (BBR). We compare the dispersion and velocity of 55 surface drifters released in the field in summer 2013 to the dispersion and velocity of simulated drifters under alternative model configurations. Increasing the resolution of the ocean model (from 1/12° to 1/100°, from 1 day to 1 h), the resolution of the atmosphere model forcing (from 1/2° to 1/100°, from 6 h to 1 h), and incorporating tidal forcing incrementally reduces discrepancy between simulated and observed velocities and dispersion. We also investigate the effect of semi-diurnal tides on the local circulation. The model with highest resolution and with tidal forcing resolves higher number of looping trajectories and sub-mesoscale coherent structures. This may be a key factor in reducing discrepancy between simulated and observed velocities and dispersion. Simulations conducted with the highest resolution ocean-atmosphere model and tidal forcing highlight an intensification of the velocity fields throughout the summer and reveal several processes: mesoscale anticyclonic circulation around Glovers Reef, and recurrent sub-mesoscale cyclonic eddies formed in the vicinity of Columbus Island. This study provides a general framework to estimate the best surface transport prediction from different ocean-atmosphere models using metrics derived from high frequency drifters' data. Also, this study provides an evaluated high-resolution ocean-atmosphere model that resolves tides for the Belizean Barrier Reef.

In situ measurement and modeling of biomechanical response of human cadaveric soft tissues for physics-based surgical simulation.

PubMed

Lim, Yi-Je; Deo, Dhanannjay; Singh, Tejinder P; Jones, Daniel B; De, Suvranu

2009-06-01

Development of a laparoscopic surgery simulator that delivers high-fidelity visual and haptic (force) feedback, based on the physical models of soft tissues, requires the use of empirical data on the mechanical behavior of intra-abdominal organs under the action of external forces. As experiments on live human patients present significant risks, the use of cadavers presents an alternative. We present techniques of measuring and modeling the mechanical response of human cadaveric tissue for the purpose of developing a realistic model. The major contribution of this paper is the development of physics-based models of soft tissues that range from linear elastic models to nonlinear viscoelastic models which are efficient for application within the framework of a real-time surgery simulator. To investigate the in situ mechanical, static, and dynamic properties of intra-abdominal organs, we have developed a high-precision instrument by retrofitting a robotic device from Sensable Technologies (position resolution of 0.03 mm) with a six-axis Nano 17 force-torque sensor from ATI Industrial Automation (force resolution of 1/1,280 N along each axis), and used it to apply precise displacement stimuli and record the force response of liver and stomach of ten fresh human cadavers. The mean elastic modulus of liver and stomach is estimated as 5.9359 kPa and 1.9119 kPa, respectively over the range of indentation depths tested. We have also obtained the parameters of a quasilinear viscoelastic (QLV) model to represent the nonlinear viscoelastic behavior of the cadaver stomach and liver over a range of indentation depths and speeds. The models are found to have an excellent goodness of fit (with R (2) > 0.99). The data and models presented in this paper together with additional ones based on the principles presented in this paper would result in realistic physics-based surgical simulators.

Can nudging be used to quantify model sensitivities in precipitation and cloud forcing?

NASA Astrophysics Data System (ADS)

Lin, Guangxing; Wan, Hui; Zhang, Kai; Qian, Yun; Ghan, Steven J.

2016-09-01

Efficient simulation strategies are crucial for the development and evaluation of high-resolution climate models. This paper evaluates simulations with constrained meteorology for the quantification of parametric sensitivities in the Community Atmosphere Model version 5 (CAM5). Two parameters are perturbed as illustrating examples: the convection relaxation time scale (TAU), and the threshold relative humidity for the formation of low-level stratiform clouds (rhminl). Results suggest that the fidelity of the constrained simulations depends on the detailed implementation of nudging and the mechanism through which the perturbed parameter affects precipitation and cloud. The relative computational costs of nudged and free-running simulations are determined by the magnitude of internal variability in the physical quantities of interest, as well as the magnitude of the parameter perturbation. In the case of a strong perturbation in convection, temperature, and/or wind nudging with a 6 h relaxation time scale leads to nonnegligible side effects due to the distorted interactions between resolved dynamics and parameterized convection, while 1 year free-running simulations can satisfactorily capture the annual mean precipitation and cloud forcing sensitivities. In the case of a relatively weak perturbation in the large-scale condensation scheme, results from 1 year free-running simulations are strongly affected by natural noise, while nudging winds effectively reduces the noise, and reasonably reproduces the sensitivities. These results indicate that caution is needed when using nudged simulations to assess precipitation and cloud forcing sensitivities to parameter changes in general circulation models. We also demonstrate that ensembles of short simulations are useful for understanding the evolution of model sensitivities.

Evaluation of CMIP5 and CORDEX Derived Wind Wave Climate in Arabian Sea and Bay of Bengal

NASA Astrophysics Data System (ADS)

Chowdhury, P.; Behera, M. R.

2017-12-01

Climate change impact on surface ocean wave parameters need robust assessment for effective coastal zone management. Climate model skill to simulate dynamical General Circulation Models (GCMs) and Regional Circulation Models (RCMs) forced wind-wave climate over northern Indian Ocean is assessed in the present work. The historical dynamical wave climate is simulated using surface winds derived from four GCMs and four RCMs, participating in the Coupled Model Inter-comparison Project (CMIP5) and Coordinated Regional Climate Downscaling Experiment (CORDEX-South Asia), respectively, and their ensemble are used to force a spectral wave model. The surface winds derived from GCMs and RCMs are corrected for bias, using Quantile Mapping method, before being forced to the spectral wave model. The climatological properties of wave parameters (significant wave height (Hs), mean wave period (Tp) and direction (θm)) are evaluated relative to ERA-Interim historical wave reanalysis datasets over Arabian Sea (AS) and Bay of Bengal (BoB) regions of the northern Indian Ocean for a period of 27 years. We identify that the nearshore wave climate of AS is better predicted than the BoB by both GCMs and RCMs. Ensemble GCM simulated Hs in AS has a better correlation with ERA-Interim ( 90%) than in BoB ( 80%), whereas ensemble RCM simulated Hs has a low correlation in both regions ( 50% in AS and 45% in BoB). In AS, ensemble GCM simulated Tp has better predictability ( 80%) compared to ensemble RCM ( 65%). However, neither GCM nor RCM could satisfactorily predict Tp in nearshore BoB. Wave direction is poorly simulated by GCMs and RCMs in both AS and BoB, with correlation around 50% with GCMs and 60% with RCMs wind derived simulations. However, upon comparing individual RCMs with their parent GCMs, it is found that few of the RCMs predict wave properties better than their parent GCMs. It may be concluded that there is no consistent added value by RCMs over GCMs forced wind-wave climate over northern Indian Ocean. We also identify that there is little to no significance of choosing a finer resolution GCM ( 1.4°) over a coarse GCM ( 2.8°) in improving skill of GCM forced dynamical wave simulations.

SU-F-BRF-01: A GPU Framework for Developing Interactive High-Resolution Patient-Specific Biomechanical Models

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

Neylon, J; Qi, S; Sheng, K

2014-06-15

Purpose: To develop a GPU-based framework that can generate highresolution and patient-specific biomechanical models from a given simulation CT and contoured structures, optimized to run at interactive speeds, for addressing adaptive radiotherapy objectives. Method: A Massspring-damping (MSD) model was generated from a given simulation CT. The model's mass elements were generated for every voxel of anatomy, and positioned in a deformation space in the GPU memory. MSD connections were established between neighboring mass elements in a dense distribution. Contoured internal structures allowed control over elastic material properties of different tissues. Once the model was initialized in GPU memory, skeletal anatomymore » was actuated using rigid-body transformations, while soft tissues were governed by elastic corrective forces and constraints, which included tensile forces, shear forces, and spring damping forces. The model was validated by applying a known load to a soft tissue block and comparing the observed deformation to ground truth calculations from established elastic mechanics. Results: Our analyses showed that both local and global load experiments yielded results with a correlation coefficient R{sup 2} > 0.98 compared to ground truth. Models were generated for several anatomical regions. Head and neck models accurately simulated posture changes by rotating the skeletal anatomy in three dimensions. Pelvic models were developed for realistic deformations for changes in bladder volume. Thoracic models demonstrated breast deformation due to gravity when changing treatment position from supine to prone. The GPU framework performed at greater than 30 iterations per second for over 1 million mass elements with up to 26 MSD connections each. Conclusions: Realistic simulations of site-specific, complex posture and physiological changes were simulated at interactive speeds using patient data. Incorporating such a model with live patient tracking would facilitate real time assessment of variations of the actual anatomy and delivered dose for adaptive intervention and re-planning.« less

Mapping the Drude polarizable force field onto a multipole and induced dipole model

NASA Astrophysics Data System (ADS)

Huang, Jing; Simmonett, Andrew C.; Pickard, Frank C.; MacKerell, Alexander D.; Brooks, Bernard R.

2017-10-01

The induced dipole and the classical Drude oscillator represent two major approaches for the explicit inclusion of electronic polarizability into force field-based molecular modeling and simulations. In this work, we explore the equivalency of these two models by comparing condensed phase properties computed using the Drude force field and a multipole and induced dipole (MPID) model. Presented is an approach to map the electrostatic model optimized in the context of the Drude force field onto the MPID model. Condensed phase simulations on water and 15 small model compounds show that without any reparametrization, the MPID model yields properties similar to the Drude force field with both models yielding satisfactory reproduction of a range of experimental values and quantum mechanical data. Our results illustrate that the Drude oscillator model and the point induced dipole model are different representations of essentially the same physical model. However, results indicate the presence of small differences between the use of atomic multipoles and off-center charge sites. Additionally, results on the use of dispersion particle mesh Ewald further support its utility for treating long-range Lennard Jones dispersion contributions in the context of polarizable force fields. The main motivation in demonstrating the transferability of parameters between the Drude and MPID models is that the more than 15 years of development of the Drude polarizable force field can now be used with MPID formalism without the need for dual-thermostat integrators nor self-consistent iterations. This opens up a wide range of new methodological opportunities for polarizable models.

Parameterization of Ca+2-protein interactions for molecular dynamics simulations.

PubMed

Project, Elad; Nachliel, Esther; Gutman, Menachem

2008-05-01

Molecular dynamics simulations of Ca+2 ions near protein were performed with three force fields: GROMOS96, OPLS-AA, and CHARMM22. The simulations reveal major, force-field dependent, inconsistencies in the interaction between the Ca+2 ions with the protein. The variations are attributed to the nonbonded parameterizations of the Ca+2-carboxylates interactions. The simulations results were compared to experimental data, using the Ca+2-HCOO- equilibrium as a model. The OPLS-AA force field grossly overestimates the binding affinity of the Ca+2 ions to the carboxylate whereas the GROMOS96 and CHARMM22 force fields underestimate the stability of the complex. Optimization of the Lennard-Jones parameters for the Ca+2-carboxylate interactions were carried out, yielding new parameters which reproduce experimental data. Copyright 2007 Wiley Periodicals, Inc.

Interpreting Musculoskeletal Models and Dynamic Simulations: Causes and Effects of Differences Between Models.

PubMed

Roelker, Sarah A; Caruthers, Elena J; Baker, Rachel K; Pelz, Nicholas C; Chaudhari, Ajit M W; Siston, Robert A

2017-11-01

With more than 29,000 OpenSim users, several musculoskeletal models with varying levels of complexity are available to study human gait. However, how different model parameters affect estimated joint and muscle function between models is not fully understood. The purpose of this study is to determine the effects of four OpenSim models (Gait2392, Lower Limb Model 2010, Full-Body OpenSim Model, and Full Body Model 2016) on gait mechanics and estimates of muscle forces and activations. Using OpenSim 3.1 and the same experimental data for all models, six young adults were scaled in each model, gait kinematics were reproduced, and static optimization estimated muscle function. Simulated measures differed between models by up to 6.5° knee range of motion, 0.012 Nm/Nm peak knee flexion moment, 0.49 peak rectus femoris activation, and 462 N peak rectus femoris force. Differences in coordinate system definitions between models altered joint kinematics, influencing joint moments. Muscle parameter and joint moment discrepancies altered muscle activations and forces. Additional model complexity yielded greater error between experimental and simulated measures; therefore, this study suggests Gait2392 is a sufficient model for studying walking in healthy young adults. Future research is needed to determine which model(s) is best for tasks with more complex motion.

Understanding the requirements of self-expandable stents for heart valve replacement: Radial force, hoop force and equilibrium.

PubMed

Cabrera, María Sol; Oomens, Cees W J; Baaijens, Frank P T

2017-04-01

A proper interpretation of the forces developed during stent crimping and deployment is of paramount importance for a better understanding of the requirements for successful heart valve replacement. The present study combines experimental and computational methods to assess the performance of a nitinol stent for tissue-engineered heart valve implantation. To validate the stent model, the mechanical response to parallel plate compression and radial crimping was evaluated experimentally. Finite element simulations showed good agreement with the experimental findings. The computational models were further used to determine the hoop force on the stent and radial force on a rigid tool during crimping and self-expansion. In addition, stent deployment against ovine and human pulmonary arteries was simulated to determine the hoop force on the stent-artery system and the equilibrium diameter for different degrees of oversizing. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

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.

Impact of waves on the circulation flow in the Iguasu gas centrifuge

NASA Astrophysics Data System (ADS)

Bogovalov, S.; Kislov, V.; Tronin, I.

2017-01-01

2D axisymmetric transient flow induced by a pulsed braking force in the Iguasu gas centrifuge (GC) is simulated numerically. The simulation is performed for two cases: transient and stationary. The braking forces averaged over the period of rotation are equal to each other in both cases. The transient case is compared with the stationary case where the flow is excited by the stationary braking force.Two models of the gas cenrifuge is simulated. There are two cameras in the first model and three cameras in the second one. In the transient case for the two cameras model pulsations almost doubles the axial circulation flux in the working camera. In the transient case for the three cameras model the gas flux through the gap in the bottom baffle exceeds on 15 % the same flux in the stationary case for the same gas content and temperature at the walls of the rotor. We argue that the waves can reduce the gas content in the GC on the same 15 %.

Oceanic response to tropical cyclone `Phailin' in the Bay of Bengal

NASA Astrophysics Data System (ADS)

Pant, V.; Prakash, K. R.

2016-02-01

Vertical mixing largely explains surface cooling induced by Tropical Cyclones (TCs). However, TC-induced upwelling of deeper waters plays an important role as it partly balances the warming of subsurface waters induced by vertical mixing. Below 100 m, vertical advection results in cooling that persists for a few days after the storm. The present study investigates the integrated ocean response to tropical cyclone `Phaillin' (10-14 October 2013) in the Bay of Bengal (BoB) through both coupled and stand-alone ocean-atmosphere models. Two numerical experiments with different coupling configurations between Regional Ocean Modelling System (ROMS) and Weather Research and Forecasting (WRF) were performed to investigate the impact of Phailin cyclone on the surface and sub-surface oceanic parameters. In the first experiment, ocean circulation model ROMS observe surface wind forcing from a mesoscale atmospheric model (WRF with nested damin setup), while rest forcing parameters are supplied to ROMS from NCEP data. In the second experiment, all surface forcing data to ROMS directly comes from WRF. The modeling components and data fields exchanged between atmospheric and oceanic models are described. The coupled modeling system is used to identify model sensitivity by exchanging prognostic variable fields between the two model components during simulation of Phallin cyclone (10-14 October 2013) in the BoB.In general, the simulated Phailin cyclone track and intensities agree well with observations in WRF simulations. Further, the inter-comparison between stand-alone and coupled model simulations validated against observations highlights better performance of coupled modeling system in simulating the oceanic conditions during the Phailin cyclone event.

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.

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

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.

Using the Weak-Temperature Gradient Approximation to Evaluate Parameterizations: An Example of the Transition From Suppressed to Active Convection

NASA Astrophysics Data System (ADS)

Daleu, C. L.; Plant, R. S.; Woolnough, S. J.

2017-10-01

Two single-column models are fully coupled via the weak-temperature gradient approach. The coupled-SCM is used to simulate the transition from suppressed to active convection under the influence of an interactive large-scale circulation. The sensitivity of this transition to the value of mixing entrainment within the convective parameterization is explored. The results from these simulations are compared with those from equivalent simulations using coupled cloud-resolving models. Coupled-column simulations over nonuniform surface forcing are used to initialize the simulations of the transition, in which the column with suppressed convection is forced to undergo a transition to active convection by changing the local and/or remote surface forcings. The direct contributions from the changes in surface forcing are to induce a weakening of the large-scale circulation which systematically modulates the transition. In the SCM, the contributions from the large-scale circulation are dominated by the heating effects, while in the CRM the heating and moistening effects are about equally divided. A transition time is defined as the time when the rain rate in the dry column is halfway to the value at equilibrium after the transition. For the control value of entrainment, the order of the transition times is identical to that obtained in the CRM, but the transition times are markedly faster. The locally forced transition is strongly delayed by a higher entrainment. A consequence is that for a 50% higher entrainment the transition times are reordered. The remotely forced transition remains fast while the locally forced transition becomes slow, compared to the CRM.

Toward XML Representation of NSS Simulation Scenario for Mission Scenario Exchange Capability

DTIC Science & Technology

2003-09-01

app.html Deitel , H. M., Deitel , P. J., Nieto, T. R., Lin, T. M., Sadhu, P. (2001). XML How to Program . Upper Saddle River: Prentice Hall...Combat XXI Program ...........................13 2. Transition NSS to a Java Environment ...........................................13 3. Shift to an...STATEMENT The Naval Simulation System (NSS) is a powerful computer program developed by the Navy to provide a force-on-force modeling and simulation

An ocular biomechanic model for dynamic simulation of different eye movements.

PubMed

Iskander, J; Hossny, M; Nahavandi, S; Del Porto, L

2018-04-11

Simulating and analysing eye movement is useful for assessing visual system contribution to discomfort with respect to body movements, especially in virtual environments where simulation sickness might occur. It can also be used in the design of eye prosthesis or humanoid robot eye. In this paper, we present two biomechanic ocular models that are easily integrated into the available musculoskeletal models. The model was previously used to simulate eye-head coordination. The models are used to simulate and analyse eye movements. The proposed models are based on physiological and kinematic properties of the human eye. They incorporate an eye-globe, orbital suspension tissues and six muscles with their connective tissues (pulleys). Pulleys were incorporated in rectus and inferior oblique muscles. The two proposed models are the passive pulleys and the active pulleys models. Dynamic simulations of different eye movements, including fixation, saccade and smooth pursuit, are performed to validate both models. The resultant force-length curves of the models were similar to the experimental data. The simulation results show that the proposed models are suitable to generate eye movement simulations with results comparable to other musculoskeletal models. The maximum kinematic root mean square error (RMSE) is 5.68° and 4.35° for the passive and active pulley models, respectively. The analysis of the muscle forces showed realistic muscle activation with increased muscle synergy in the active pulley model. Copyright © 2018 Elsevier Ltd. All rights reserved.

Evaluation of Boreal Summer Monsoon Intraseasonal Variability in the GASS-YOTC Multi-Model Physical Processes Experiment

NASA Astrophysics Data System (ADS)

Mani, N. J.; Waliser, D. E.; Jiang, X.

2014-12-01

While the boreal summer monsoon intraseasonal variability (BSISV) exerts profound influence on the south Asian monsoon, the capability of present day dynamical models in simulating and predicting the BSISV is still limited. The global model evaluation project on vertical structure and diabatic processes of the Madden Julian Oscillations (MJO) is a joint venture, coordinated by the Working Group on Numerical Experimentation (WGNE) MJO Task Force and GEWEX Atmospheric System Study (GASS) program, for assessing the model deficiencies in simulating the ISV and for improving our understanding of the underlying processes. In this study the simulation of the northward propagating BSISV is investigated in 26 climate models with special focus on the vertical diabatic heating structure and clouds. Following parallel lines of inquiry as the MJO Task Force has done with the eastward propagating MJO, we utilize previously proposed and newly developed model performance metrics and process diagnostics and apply them to the global climate model simulations of BSISV.

Modeling dust as component minerals in the Community Atmosphere Model: development of framework and impact on radiative forcing

DOE PAGES

Scanza, R. A.; Mahowald, N.; Ghan, S.; ...

2014-07-02

The mineralogy of desert dust is important due to its effect on radiation, clouds and biogeochemical cycling of trace nutrients. This study presents the simulation of dust radiative forcing as a function of both mineral composition and size at the global scale using mineral soil maps for estimating emissions. Externally mixed mineral aerosols in the bulk aerosol module in the Community Atmosphere Model version 4 (CAM4) and internally mixed mineral aerosols in the modal aerosol module in the Community Atmosphere Model version 5.1 (CAM5) embedded in the Community Earth System Model version 1.0.5 (CESM) are speciated into common mineral componentsmore » in place of total dust. The simulations with mineralogy are compared to available observations of mineral atmospheric distribution and deposition along with observations of clear-sky radiative forcing efficiency. Based on these simulations, we estimate the all-sky direct radiative forcing at the top of the atmosphere as +0.05 W m −2 for both CAM4 and CAM5 simulations with mineralogy and compare this both with simulations of dust in release versions of CAM4 and CAM5 (+0.08 and +0.17 W m −2) and of dust with optimized optical properties, wet scavenging and particle size distribution in CAM4 and CAM5, −0.05 and −0.17 W m −2, respectively. The ability to correctly include the mineralogy of dust in climate models is hindered by its spatial and temporal variability as well as insufficient global in-situ observations, incomplete and uncertain source mineralogies and the uncertainties associated with data retrieved from remote sensing methods.« less

ATK-ForceField: a new generation molecular dynamics software package

NASA Astrophysics Data System (ADS)

Schneider, Julian; Hamaekers, Jan; Chill, Samuel T.; Smidstrup, Søren; Bulin, Johannes; Thesen, Ralph; Blom, Anders; Stokbro, Kurt

2017-12-01

ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python programming environment that makes it easy to create and analyze both standard and highly customized simulations. This paper will focus on the atomic interaction potentials, molecular dynamics, and geometry optimization features of the software, however, many more advanced modeling features are available. The implementation details of these algorithms and their computational performance will be shown. We present three illustrative examples of the types of calculations that are possible with ATK-ForceField: modeling thermal transport properties in a silicon germanium crystal, vapor deposition of selenium molecules on a selenium surface, and a simulation of creep in a copper polycrystal.

Aerodynamic loads on buses due to crosswind gusts: extended analysis

NASA Astrophysics Data System (ADS)

Drugge, Lars; Juhlin, Magnus

2010-12-01

The objective of this work is to use inverse simulations on measured vehicle data in order to estimate the aerodynamic loads on a bus when exposed to crosswind situations. Tyre forces, driver input, wind velocity and vehicle response were measured on a typical coach when subjected to natural crosswind gusts. Based on these measurements and a detailed MBS vehicle model, the aerodynamic loads were estimated through inverse simulations. In order to estimate the lift force, roll and pitch moments in addition to the lateral force and yaw moment, the simulation model was extended by also incorporating the estimation of the vertical road disturbances. The proposed method enables the estimation of aerodynamic loads due to crosswind gusts without using a full scale wind tunnel adapted for crosswind excitation.

Host model uncertainties in aerosol radiative forcing estimates: results from the AeroCom Prescribed intercomparison study

NASA Astrophysics Data System (ADS)

Stier, P.; Schutgens, N. A. J.; Bellouin, N.; Bian, H.; Boucher, O.; Chin, M.; Ghan, S.; Huneeus, N.; Kinne, S.; Lin, G.; Ma, X.; Myhre, G.; Penner, J. E.; Randles, C. A.; Samset, B.; Schulz, M.; Takemura, T.; Yu, F.; Yu, H.; Zhou, C.

2013-03-01

Simulated multi-model "diversity" in aerosol direct radiative forcing estimates is often perceived as a measure of aerosol uncertainty. However, current models used for aerosol radiative forcing calculations vary considerably in model components relevant for forcing calculations and the associated "host-model uncertainties" are generally convoluted with the actual aerosol uncertainty. In this AeroCom Prescribed intercomparison study we systematically isolate and quantify host model uncertainties on aerosol forcing experiments through prescription of identical aerosol radiative properties in twelve participating models. Even with prescribed aerosol radiative properties, simulated clear-sky and all-sky aerosol radiative forcings show significant diversity. For a purely scattering case with globally constant optical depth of 0.2, the global-mean all-sky top-of-atmosphere radiative forcing is -4.47 Wm-2 and the inter-model standard deviation is 0.55 Wm-2, corresponding to a relative standard deviation of 12%. For a case with partially absorbing aerosol with an aerosol optical depth of 0.2 and single scattering albedo of 0.8, the forcing changes to 1.04 Wm-2, and the standard deviation increases to 1.01 W-2, corresponding to a significant relative standard deviation of 97%. However, the top-of-atmosphere forcing variability owing to absorption (subtracting the scattering case from the case with scattering and absorption) is low, with absolute (relative) standard deviations of 0.45 Wm-2 (8%) clear-sky and 0.62 Wm-2 (11%) all-sky. Scaling the forcing standard deviation for a purely scattering case to match the sulfate radiative forcing in the AeroCom Direct Effect experiment demonstrates that host model uncertainties could explain about 36% of the overall sulfate forcing diversity of 0.11 Wm-2 in the AeroCom Direct Radiative Effect experiment. Host model errors in aerosol radiative forcing are largest in regions of uncertain host model components, such as stratocumulus cloud decks or areas with poorly constrained surface albedos, such as sea ice. Our results demonstrate that host model uncertainties are an important component of aerosol forcing uncertainty that require further attention.

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.

Solar forcing for CMIP6 (v3.2)

NASA Astrophysics Data System (ADS)

Matthes, Katja; Funke, Bernd; Andersson, Monika E.; Barnard, Luke; Beer, Jürg; Charbonneau, Paul; Clilverd, Mark A.; Dudok de Wit, Thierry; Haberreiter, Margit; Hendry, Aaron; Jackman, Charles H.; Kretzschmar, Matthieu; Kruschke, Tim; Kunze, Markus; Langematz, Ulrike; Marsh, Daniel R.; Maycock, Amanda C.; Misios, Stergios; Rodger, Craig J.; Scaife, Adam A.; Seppälä, Annika; Shangguan, Ming; Sinnhuber, Miriam; Tourpali, Kleareti; Usoskin, Ilya; van de Kamp, Max; Verronen, Pekka T.; Versick, Stefan

2017-06-01

This paper describes the recommended solar forcing dataset for CMIP6 and highlights changes with respect to CMIP5. The solar forcing is provided for radiative properties, namely total solar irradiance (TSI), solar spectral irradiance (SSI), and the F10.7 index as well as particle forcing, including geomagnetic indices Ap and Kp, and ionization rates to account for effects of solar protons, electrons, and galactic cosmic rays. This is the first time that a recommendation for solar-driven particle forcing has been provided for a CMIP exercise. The solar forcing datasets are provided at daily and monthly resolution separately for the CMIP6 preindustrial control, historical (1850-2014), and future (2015-2300) simulations. For the preindustrial control simulation, both constant and time-varying solar forcing components are provided, with the latter including variability on 11-year and shorter timescales but no long-term changes. For the future, we provide a realistic scenario of what solar behavior could be, as well as an additional extreme Maunder-minimum-like sensitivity scenario. This paper describes the forcing datasets and also provides detailed recommendations as to their implementation in current climate models.For the historical simulations, the TSI and SSI time series are defined as the average of two solar irradiance models that are adapted to CMIP6 needs: an empirical one (NRLTSI2-NRLSSI2) and a semi-empirical one (SATIRE). A new and lower TSI value is recommended: the contemporary solar-cycle average is now 1361.0 W m-2. The slight negative trend in TSI over the three most recent solar cycles in the CMIP6 dataset leads to only a small global radiative forcing of -0.04 W m-2. In the 200-400 nm wavelength range, which is important for ozone photochemistry, the CMIP6 solar forcing dataset shows a larger solar-cycle variability contribution to TSI than in CMIP5 (50 % compared to 35 %).We compare the climatic effects of the CMIP6 solar forcing dataset to its CMIP5 predecessor by using time-slice experiments of two chemistry-climate models and a reference radiative transfer model. The differences in the long-term mean SSI in the CMIP6 dataset, compared to CMIP5, impact on climatological stratospheric conditions (lower shortwave heating rates of -0.35 K day-1 at the stratopause), cooler stratospheric temperatures (-1.5 K in the upper stratosphere), lower ozone abundances in the lower stratosphere (-3 %), and higher ozone abundances (+1.5 % in the upper stratosphere and lower mesosphere). Between the maximum and minimum phases of the 11-year solar cycle, there is an increase in shortwave heating rates (+0.2 K day-1 at the stratopause), temperatures ( ˜ 1 K at the stratopause), and ozone (+2.5 % in the upper stratosphere) in the tropical upper stratosphere using the CMIP6 forcing dataset. This solar-cycle response is slightly larger, but not statistically significantly different from that for the CMIP5 forcing dataset.CMIP6 models with a well-resolved shortwave radiation scheme are encouraged to prescribe SSI changes and include solar-induced stratospheric ozone variations, in order to better represent solar climate variability compared to models that only prescribe TSI and/or exclude the solar-ozone response. We show that monthly-mean solar-induced ozone variations are implicitly included in the SPARC/CCMI CMIP6 Ozone Database for historical simulations, which is derived from transient chemistry-climate model simulations and has been developed for climate models that do not calculate ozone interactively. CMIP6 models without chemistry that perform a preindustrial control simulation with time-varying solar forcing will need to use a modified version of the SPARC/CCMI Ozone Database that includes solar variability. CMIP6 models with interactive chemistry are also encouraged to use the particle forcing datasets, which will allow the potential long-term effects of particles to be addressed for the first time. The consideration of particle forcing has been shown to significantly improve the representation of reactive nitrogen and ozone variability in the polar middle atmosphere, eventually resulting in further improvements in the representation of solar climate variability in global models.

Impact of lakes and wetlands on present and future boreal climate

NASA Astrophysics Data System (ADS)

Poutou, E.; Krinner, G.; Genthon, C.

2002-12-01

Impact of lakes and wetlands on present and future boreal climate The role of lakes and wetlands in present-day high latitude climate is quantified using a general circulation model of the atmosphere. The atmospheric model includes a lake module which is presented and validated. Seasonal and spatial wetland distribution is calculated as a function of the hydrological budget of the wetlands themselves and of continental soil whose runoff feeds them. Wetland extent is simulated and discussed both in simulations forced by observed climate and in general circulation model simulations. In off-line simulations, forced by ECMWF reanalyses, the lake model simulates correctly observed lake ice durations, while the wetland extent is somewhat underestimated in the boreal regions. Coupled to the general circulation model, the lake model yields satisfying ice durations, although the climate model biases have impacts on the modeled lake ice conditions. Boreal wetland extents are overestimated in the general circulation model as simulated precipitation is too high. The impact of inundated surfaces on the simulated climate is strongest in summer when these surfaces are ice-free. Wetlands seem to play a more important role than lakes in cooling the boreal regions in summer and in humidifying the atmosphere. The role of lakes and wetlands in future climate change is evaluated by analyzing simulations of present and future climate with and without prescribed inland water bodies.

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

Ortoleva, Peter J.

Illustrative embodiments of systems and methods for the deductive multiscale simulation of macromolecules are disclosed. In one illustrative embodiment, a deductive multiscale simulation method may include (i) constructing a set of order parameters that model one or more structural characteristics of a macromolecule, (ii) simulating an ensemble of atomistic configurations for the macromolecule using instantaneous values of the set of order parameters, (iii) simulating thermal-average forces and diffusivities for the ensemble of atomistic configurations, and (iv) evolving the set of order parameters via Langevin dynamics using the thermal-average forces and diffusivities.

Mixed reality temporal bone surgical dissector: mechanical design.

PubMed

Hochman, Jordan Brent; Sepehri, Nariman; Rampersad, Vivek; Kraut, Jay; Khazraee, Milad; Pisa, Justyn; Unger, Bertram

2014-08-08

The Development of a Novel Mixed Reality (MR) Simulation. An evolving training environment emphasizes the importance of simulation. Current haptic temporal bone simulators have difficulty representing realistic contact forces and while 3D printed models convincingly represent vibrational properties of bone, they cannot reproduce soft tissue. This paper introduces a mixed reality model, where the effective elements of both simulations are combined; haptic rendering of soft tissue directly interacts with a printed bone model. This paper addresses one aspect in a series of challenges, specifically the mechanical merger of a haptic device with an otic drill. This further necessitates gravity cancelation of the work assembly gripper mechanism. In this system, the haptic end-effector is replaced by a high-speed drill and the virtual contact forces need to be repositioned to the drill tip from the mid wand. Previous publications detail generation of both the requisite printed and haptic simulations. Custom software was developed to reposition the haptic interaction point to the drill tip. A custom fitting, to hold the otic drill, was developed and its weight was offset using the haptic device. The robustness of the system to disturbances and its stable performance during drilling were tested. The experiments were performed on a mixed reality model consisting of two drillable rapid-prototyped layers separated by a free-space. Within the free-space, a linear virtual force model is applied to simulate drill contact with soft tissue. Testing illustrated the effectiveness of gravity cancellation. Additionally, the system exhibited excellent performance given random inputs and during the drill's passage between real and virtual components of the model. No issues with registration at model boundaries were encountered. These tests provide a proof of concept for the initial stages in the development of a novel mixed-reality temporal bone simulator.

MCPB.py: A Python Based Metal Center Parameter Builder.

PubMed

Li, Pengfei; Merz, Kenneth M

2016-04-25

MCPB.py, a python based metal center parameter builder, has been developed to build force fields for the simulation of metal complexes employing the bonded model approach. It has an optimized code structure, with far fewer required steps than the previous developed MCPB program. It supports various AMBER force fields and more than 80 metal ions. A series of parametrization schemes to derive force constants and charge parameters are available within the program. We give two examples (one metalloprotein example and one organometallic compound example), indicating the program's ability to build reliable force fields for different metal ion containing complexes. The original version was released with AmberTools15. It is provided via the GNU General Public License v3.0 (GNU_GPL_v3) agreement and is free to download and distribute. MCPB.py provides a bridge between quantum mechanical calculations and molecular dynamics simulation software packages thereby enabling the modeling of metal ion centers. It offers an entry into simulating metal ions in a number of situations by providing an efficient way for researchers to handle the vagaries and difficulties associated with metal ion modeling.

Diagnostic budgets of analyzed and modelled tropical plumes

NASA Technical Reports Server (NTRS)

Mcguirk, James P.; Vest, Gerry W.

1993-01-01

Blackwell et al. successfully simulated tropical plumes in a global barotropic model valid at 200 mb. The plume evolved in response to strong equatorial convergence which simulated a surge in the Walker Circulation. The defining characteristics of simulated plumes are: a subtropical jet with southerlies emanating from the deep tropics; a tropical/mid-latitude trough to the west; a convergence/divergence dipole straddling the trough; and strong cross contour flow at the tropical base of the jet. Diagnostic budgets of vorticity, divergence, and kinetic energy are calculated to explain the evolution of the modelled plumes. Budgets describe the unforced (basic) state, forced plumes, forced cases with no plumes, and ECMWF analyzed plumes.

Numerical Simulations of Plasma Based Flow Control Applications

NASA Technical Reports Server (NTRS)

Suzen, Y. B.; Huang, P. G.; Jacob, J. D.; Ashpis, D. E.

2005-01-01

A mathematical model was developed to simulate flow control applications using plasma actuators. The effects of the plasma actuators on the external flow are incorporated into Navier Stokes computations as a body force vector. In order to compute this body force vector, the model solves two additional equations: one for the electric field due to the applied AC voltage at the electrodes and the other for the charge density representing the ionized air. The model is calibrated against an experiment having plasma-driven flow in a quiescent environment and is then applied to simulate a low pressure turbine flow with large flow separation. The effects of the plasma actuator on control of flow separation are demonstrated numerically.

(abstract) Using TOPEX/Poseidon Sea Level Observations to Test the Sensitivity of an Ocean Model to Wind Forcing

NASA Technical Reports Server (NTRS)

Fu, Lee-Lueng; Chao, Yi

1996-01-01

It has been demonstrated that current-generation global ocean general circulation models (OGCM) are able to simulate large-scale sea level variations fairly well. In this study, a GFDL/MOM-based OGCM was used to investigate its sensitivity to different wind forcing. Simulations of global sea level using wind forcing from the ERS-1 Scatterometer and the NMC operational analysis were compared to the observations made by the TOPEX/Poseidon (T/P) radar altimeter for a two-year period. The result of the study has demonstrated the sensitivity of the OGCM to the quality of wind forcing, as well as the synergistic use of two spaceborne sensors in advancing the study of wind-driven ocean dynamics.

Evaluation of the North American Land Data Assimilation System over the Southern Great Plains during the warm season

NASA Astrophysics Data System (ADS)

Robock, A.; Luo, L.; Wood, E. F.; Wen, F.; Mitchell, K. E.; Houser, P. R.; Schaake, J. C.; Nldas Team

2003-04-01

To conduct land data assimilation, validated land surface models are needed. The first step in the North American Land Data Assimilation System (NLDAS) is to evaluate four such state-of-the-art models. These models (VIC, Noah, Mosaic, and Sacramento) have been run for a retrospective period forced by atmospheric observations from the Eta analysis and actual precipitation and downward solar radiation (on a 1/8 degree North American grid) to calculate land hydrology. First we show that the forcing data set agrees very well with local observations and that simulations forced with local observations differ little from those forced with the NLDAS forcing data set. Then we evaluated the simulations using in situ observations over the Southern Great Plains for the periods of May-September of 1998 and 1999 by comparing the model outputs with surface latent, sensible, and ground heat fluxes at 24 Atmospheric Radiation Measurement/Cloud and Radiation Testbed stations and with soil temperature and soil moisture observations at 72 Oklahoma Mesonet stations. The standard NLDAS models do a fairly good job but with differences in the surface energy partition and in soil moisture between models and observations and among models during the summer, while they agree quite well on the soil temperature simulations. To investigate why, we performed a series of experiments accounting for differences between model-specified soil types and vegetation and those observed at the stations, and differences in model treatment of different soil types, vegetation properties, canopy resistance, soil column depth, rooting depth, root density, snow-free albedo, infiltration, aerodynamic resistance, and soil thermal diffusivity. The diagnosis and model enhancements demonstrate how the models can be improved so that they can be used in actual data assimilation mode.

GPU-based Green's function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models.

PubMed

Yang, Yiqun; Urban, Matthew W; McGough, Robert J

2018-05-15

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green's functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs.

Hybrid Soft Soil Tire Model (HSSTM). Part 1: Tire Material and Structure Modeling

DTIC Science & Technology

2015-04-28

commercially available vehicle simulation packages. Model parameters are obtained using a validated finite element tire model, modal analysis, and other...design of experiment matrix. This data, in addition to modal analysis data were used to validate the tire model. Furthermore, to study the validity...é ë ê ê ê ê ê ê ê ù û ú ú ú ú ú ú ú (78) The applied forces to the rim center consist of the axle forces and suspension forces: FFF Gsuspension G

A novel biomechanical model assessing continuous orthodontic archwire activation

PubMed Central

Canales, Christopher; Larson, Matthew; Grauer, Dan; Sheats, Rose; Stevens, Clarke; Ko, Ching-Chang

2013-01-01

Objective The biomechanics of a continuous archwire inserted into multiple orthodontic brackets is poorly understood. The purpose of this research was to apply the birth-death technique to simulate insertion of an orthodontic wire and consequent transfer of forces to the dentition in an anatomically accurate model. Methods A digital model containing the maxillary dentition, periodontal ligament (PDL), and surrounding bone was constructed from human computerized tomography data. Virtual brackets were placed on four teeth (central and lateral incisors, canine and first premolar), and a steel archwire (0.019″ × 0.025″) with a 0.5 mm step bend to intrude the lateral incisor was virtually inserted into the bracket slots. Forces applied to the dentition and surrounding structures were simulated utilizing the birth-death technique. Results The goal of simulating a complete bracket-wire system on accurate anatomy including multiple teeth was achieved. Orthodontic force delivered by the wire-bracket interaction was: central incisor 19.1 N, lateral incisor 21.9 N, and canine 19.9 N. Loading the model with equivalent point forces showed a different stress distribution in the PDL. Conclusions The birth-death technique proved to be a useful biomechanical simulation method for placement of a continuous archwire in orthodontic brackets. The ability to view the stress distribution throughout proper anatomy and appliances advances understanding of orthodontic biomechanics. PMID:23374936

A numerical and theoretical study on the aerodynamics of a rhinoceros beetle (Trypoxlyus dichotomus) and optimization of its wing kinematics in hover

NASA Astrophysics Data System (ADS)

Oh, Sehyeong; Lee, Boogeon; Park, Hyungmin; Choi, Haecheon

2017-11-01

We investigate a hovering rhinoceros beetle using numerical simulation and blade element theory. Numerical simulations are performed using an immersed boundary method. In the simulation, the hindwings are modeled as a rigid flat plate, and three-dimensionally scanned elytra and body are used. The results of simulation indicate that the lift force generated by the hindwings alone is sufficient to support the weight, and the elytra generate negligible lift force. Considering the hindwings only, we present a blade element model based on quasi-steady assumptions to identify the mechanisms of aerodynamic force generation and power expenditure in the hovering flight of a rhinoceros beetle. We show that the results from the present blade element model are in excellent agreement with numerical ones. Based on the current blade element model, we find the optimal wing kinematics minimizing the aerodynamic power requirement using a hybrid optimization algorithm combining a clustering genetic algorithm with a gradient-based optimizer. We show that the optimal wing kinematics reduce the aerodynamic power consumption, generating enough lift force to support the weight. This research was supported by a Grant to Bio-Mimetic Robot Research Center Funded by Defense Acquisition Program Administration, and by Agency for Defense Development (UD130070ID) and NRF-2016R1E1A1A02921549 of the MSIP of Korea.

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.

INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Monte—Carlo Simulation of Multiple-Molecular-Motor Transport

NASA Astrophysics Data System (ADS)

Wang, Zi-Qing; Wang, Guo-Dong; Shen, Wei-Bo

2010-10-01

Multimotor transport is studied by Monte-Carlo simulation with consideration of motor detachment from the filament. Our work shows, in the case of low load, the velocity of multi-motor system can decrease or increase with increasing motor numbers depending on the single motor force-velocity curve. The stall force and run-length reduced greatly compared to other models. Especially in the case of low ATP concentrations, the stall force of multi motor transport even smaller than the single motor's stall force.

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.

reaxFF Reactive Force Field for Disulfide Mechanochemistry, Fitted to Multireference ab Initio Data.

PubMed

Müller, Julian; Hartke, Bernd

2016-08-09

Mechanochemistry, in particular in the form of single-molecule atomic force microscopy experiments, is difficult to model theoretically, for two reasons: Covalent bond breaking is not captured accurately by single-determinant, single-reference quantum chemistry methods, and experimental times of milliseconds or longer are hard to simulate with any approach. Reactive force fields have the potential to alleviate both problems, as demonstrated in this work: Using nondeterministic global parameter optimization by evolutionary algorithms, we have fitted a reaxFF force field to high-level multireference ab initio data for disulfides. The resulting force field can be used to reliably model large, multifunctional mechanochemistry units with disulfide bonds as designed breaking points. Explorative calculations show that a significant part of the time scale gap between AFM experiments and dynamical simulations can be bridged with this approach.

Magnetohydrodynamic Modeling of Solar Coronal Dynamics with an Initial Non-force-free Magnetic Field

NASA Astrophysics Data System (ADS)

Prasad, A.; Bhattacharyya, R.; Kumar, Sanjay

2017-05-01

The magnetic fields in the solar corona are generally neither force-free nor axisymmetric and have complex dynamics that are difficult to characterize. Here we simulate the topological evolution of solar coronal magnetic field lines (MFLs) using a magnetohydrodynamic model. The simulation is initialized with a non-axisymmetric non-force-free magnetic field that best correlates with the observed vector magnetograms of solar active regions (ARs). To focus on these ideas, simulations are performed for the flaring AR 11283 noted for its complexity and well-documented dynamics. The simulated dynamics develops as the initial Lorentz force pushes the plasma and facilitates successive magnetic reconnections at the two X-type null lines present in the initial field. Importantly, the simulation allows for the spontaneous development of mass flow, unique among contemporary works, that preferentially reconnects field lines at one of the X-type null lines. Consequently, a flux rope consisting of low-lying twisted MFLs, which approximately traces the major polarity inversion line, undergoes an asymmetric monotonic rise. The rise is attributed to a reduction in the magnetic tension force at the region overlying the rope, resulting from the reconnection. A monotonic rise of the rope is in conformity with the standard scenario of flares. Importantly, the simulated dynamics leads to bifurcations of the flux rope, which, being akin to the observed filament bifurcation in AR 11283, establishes the appropriateness of the initial field in describing ARs.

Magnetohydrodynamic Modeling of Solar Coronal Dynamics with an Initial Non-force-free Magnetic Field

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

Prasad, A.; Bhattacharyya, R.; Kumar, Sanjay

The magnetic fields in the solar corona are generally neither force-free nor axisymmetric and have complex dynamics that are difficult to characterize. Here we simulate the topological evolution of solar coronal magnetic field lines (MFLs) using a magnetohydrodynamic model. The simulation is initialized with a non-axisymmetric non-force-free magnetic field that best correlates with the observed vector magnetograms of solar active regions (ARs). To focus on these ideas, simulations are performed for the flaring AR 11283 noted for its complexity and well-documented dynamics. The simulated dynamics develops as the initial Lorentz force pushes the plasma and facilitates successive magnetic reconnections atmore » the two X-type null lines present in the initial field. Importantly, the simulation allows for the spontaneous development of mass flow, unique among contemporary works, that preferentially reconnects field lines at one of the X-type null lines. Consequently, a flux rope consisting of low-lying twisted MFLs, which approximately traces the major polarity inversion line, undergoes an asymmetric monotonic rise. The rise is attributed to a reduction in the magnetic tension force at the region overlying the rope, resulting from the reconnection. A monotonic rise of the rope is in conformity with the standard scenario of flares. Importantly, the simulated dynamics leads to bifurcations of the flux rope, which, being akin to the observed filament bifurcation in AR 11283, establishes the appropriateness of the initial field in describing ARs.« less

A comparative CFD study of four inferior vena cava filters.

PubMed

López, Josep M; Fortuny, Gerard; Puigjaner, Dolors; Herrero, Joan; Marimon, Francesc

2018-03-30

Computational fluid dynamics was used to simulate the flow of blood within an inferior vena cava (IVC) geometry model that was reconstructed from computed tomography images obtained from a real patient. The main novelty of the present work is that we simulated the implantation of 4 different filter models in this realistic IVC geometry. We considered different blood flow rates in the range between V in =20 and V in =80 cm 3 /s, and all simulations were performed with both the Newtonian and a non-Newtonian model for the blood viscosity. We compared the hemodynamics performance of the different filter models, and we paid a special attention to the total drag force, F d , exerted by the blood flow on the filter surface. This force is the sum of 2 contributions: the viscous skin friction force, which was found to be roughly proportional to the filter surface area, and the pressure force, which depended on the particular filter geometry design. The F d force is relevant because it must be balanced by the total force exerted by the filter hooks/struts on the IVC wall at the attachment locations. For the highest V in value investigated, the variation in F d among filters was from 116 to 308 dyne. We also showed how the present results can be extrapolated to obtain good estimates of the drag forces if the blood viscosity levels change, ie, if the patient with a filter implanted is treated with anticoagulant therapy. Copyright © 2018 John Wiley & Sons, Ltd.

Superior-inferior position of patellar component affects patellofemoral kinematics and contact forces in computer simulation.

PubMed

Nakamura, Shinichiro; Tanaka, Yoshihisa; Kuriyama, Shinichi; Nishitani, Kohei; Ito, Hiromu; Furu, Moritoshi; Matsuda, Shuichi

2017-06-01

Anterior knee pain has been reported as a major postoperative complication after total knee arthroplasty, which may lead to patient dissatisfaction. Rotational alignment and the medial-lateral position correlate with patellar maltracking, which can cause knee pain postoperatively. However, the superior-inferior position of the patellar component has not been investigated. The purpose of the current study was to investigate the effects of the patellar superior-inferior position on patellofemoral kinematics and kinetics. Superior, central, and inferior models with a dome patellar component were constructed. In the superior and inferior models, the position of the patellar component translated superiorly and inferiorly, respectively, by 3mm, relative to the center model. Kinematics of the patellar component, quadriceps force, and patellofemoral contact force were calculated using a computer simulation during a squatting activity in a weight-bearing deep knee bend. In the inferior model, the flexion angle, relative to the tibial component, was the greatest among all models. The inferior model showed an 18.0%, 36.5%, and 22.7% increase in the maximum quadriceps force, the maximum medial patellofemoral force, and the maximum lateral patellofemoral force, respectively, compared with the superior model. Superior-inferior positions affected patellofemoral kinematic and kinetics. Surgeons should avoid the inferior position of the patellar component, because the inferior positioned model showed greater quadriceps and patellofemoral force, resulting in a potential risk for anterior knee pain and component loosening. Copyright © 2017. Published by Elsevier Ltd.

Modeling and Simulation Behavior Validation Methodology and Extension Model Validation for the Individual Soldier

DTIC Science & Technology

2015-03-01

domains. Major model functions include: • Ground combat: Light and heavy forces. • Air mobile forces. • Future forces. • Fixed-wing and rotary-wing...Constraints: • Study must be completed no later than 31 December 2014. • Entity behavior limited to select COMBATXXI Mobility , Unmanned Aerial System...and SQL backend , as well as any open application programming interface API. • Allows data transparency and data driven navigation through the model

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.

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

A COMPARISON OF STATIC AND DYNAMIC OPTIMIZATION MUSCLE FORCE PREDICTIONS DURING WHEELCHAIR PROPULSION

PubMed Central

Morrow, Melissa M.; Rankin, Jeffery W.; Neptune, Richard R.; Kaufman, Kenton R.

2014-01-01

The primary purpose of this study was to compare static and dynamic optimization muscle force and work predictions during the push phase of wheelchair propulsion. A secondary purpose was to compare the differences in predicted shoulder and elbow kinetics and kinematics and handrim forces. The forward dynamics simulation minimized differences between simulated and experimental data (obtained from 10 manual wheelchair users) and muscle co-contraction. For direct comparison between models, the shoulder and elbow muscle moment arms and net joint moments from the dynamic optimization were used as inputs into the static optimization routine. RMS errors between model predictions were calculated to quantify model agreement. There was a wide range of individual muscle force agreement that spanned from poor (26.4 % Fmax error in the middle deltoid) to good (6.4 % Fmax error in the anterior deltoid) in the prime movers of the shoulder. The predicted muscle forces from the static optimization were sufficient to create the appropriate motion and joint moments at the shoulder for the push phase of wheelchair propulsion, but showed deviations in the elbow moment, pronation-supination motion and hand rim forces. These results suggest the static approach does not produce results similar enough to be a replacement for forward dynamics simulations, and care should be taken in choosing the appropriate method for a specific task and set of constraints. Dynamic optimization modeling approaches may be required for motions that are greatly influenced by muscle activation dynamics or that require significant co-contraction. PMID:25282075

Scaling laws in granular flow and pedestrian flow

NASA Astrophysics Data System (ADS)

Chen, Shumiao; Alonso-Marroquin, Fernando; Busch, Jonathan; Hidalgo, Raúl Cruz; Sathianandan, Charmila; Ramírez-Gómez, Álvaro; Mora, Peter

2013-06-01

We use particle-based simulations to examine the flow of particles through an exit. Simulations involve both gravity-driven particles (representing granular material) and velocity-driven particles (mimicking pedestrian dynamics). Contact forces between particles include elastic, viscous, and frictional forces; and simulations use bunker geometry. Power laws are observed in the relation between flow rate and exit width. Simulations of granular flow showed that the power law has little dependence on the coefficient of friction. Polydisperse granular systems produced higher flow rates than those produced by monodisperse ones. We extend the particle model to include the main features of pedestrian dynamics: thoracic shape, shoulder rotation, and desired velocity oriented towards the exit. Higher desired velocity resulted in higher flow rate. Granular simulations always give higher flow rate than pedestrian simulations, despite the values of aspect ratio of the particles. In terms of force distribution, pedestrians and granulates share similar properties with the non-democratic distribution of forces that poses high risks of injuries in a bottleneck situation.

Pairwise Interaction Extended Point-Particle (PIEP) model for multiphase jets and sedimenting particles

NASA Astrophysics Data System (ADS)

Liu, Kai; Balachandar, S.

2017-11-01

We perform a series of Euler-Lagrange direct numerical simulations (DNS) for multiphase jets and sedimenting particles. The forces the flow exerts on the particles in these two-way coupled simulations are computed using the Basset-Bousinesq-Oseen (BBO) equations. These forces do not explicitly account for particle-particle interactions, even though such pairwise interactions induced by the perturbations from neighboring particles may be important especially when the particle volume fraction is high. Such effects have been largely unaddressed in the literature. Here, we implement the Pairwise Interaction Extended Point-Particle (PIEP) model to simulate the effect of neighboring particle pairs. A simple collision model is also applied to avoid unphysical overlapping of solid spherical particles. The simulation results indicate that the PIEP model provides a more elaborative and complicated movement of the dispersed phase (droplets and particles). Office of Naval Research (ONR) Multidisciplinary University Research Initiative (MURI) project N00014-16-1-2617.

Tribology studies of the natural knee using an animal model in a new whole joint natural knee simulator.

PubMed

Liu, Aiqin; Jennings, Louise M; Ingham, Eileen; Fisher, John

2015-09-18

The successful development of early-stage cartilage and meniscus repair interventions in the knee requires biomechanical and biotribological understanding of the design of the therapeutic interventions and their tribological function in the natural joint. The aim of this study was to develop and validate a porcine knee model using a whole joint knee simulator for investigation of the tribological function and biomechanical properties of the natural knee, which could then be used to pre-clinically assess the tribological performance of cartilage and meniscal repair interventions prior to in vivo studies. The tribological performance of standard artificial bearings in terms of anterior-posterior (A/P) shear force was determined in a newly developed six degrees of freedom tribological joint simulator. The porcine knee model was then developed and the tribological properties in terms of shear force measurements were determined for the first time for three levels of biomechanical constraints including A/P constrained, spring force semi-constrained and A/P unconstrained conditions. The shear force measurements showed higher values under the A/P constrained condition (predominantly sliding motion) compared to the A/P unconstrained condition (predominantly rolling motion). This indicated that the shear force simulation model was able to differentiate between tribological behaviours when the femoral and tibial bearing was constrained to slide or/and roll. Therefore, this porcine knee model showed the potential capability to investigate the effect of knee structural, biomechanical and kinematic changes, as well as different cartilage substitution therapies on the tribological function of natural knee joints. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

NASA Astrophysics Data System (ADS)

Patel, Sandeep; Brooks, Charles L.

2005-01-01

We study the bulk and interfacial properties of methanol via molecular dynamics simulations using a CHARMM (Chemistry at HARvard Molecular Mechanics) fluctuating charge force field. We discuss the parametrization of the electrostatic model as part of the ongoing CHARMM development for polarizable protein force fields. The bulk liquid properties are in agreement with available experimental data and competitive with existing fixed-charge and polarizable force fields. The liquid density and vaporization enthalpy are determined to be 0.809 g/cm3 and 8.9 kcal/mol compared to the experimental values of 0.787 g/cm3 and 8.94 kcal/mol, respectively. The liquid structure as indicated by radial distribution functions is in keeping with the most recent neutron diffraction results; the force field shows a slightly more ordered liquid, necessarily arising from the enhanced condensed phase electrostatics (as evidenced by an induced liquid phase dipole moment of 0.7 D), although the average coordination with two neighboring molecules is consistent with the experimental diffraction study as well as with recent density functional molecular dynamics calculations. The predicted surface tension of 19.66±1.03 dyn/cm is slightly lower than the experimental value of 22.6 dyn/cm, but still competitive with classical force fields. The interface demonstrates the preferential molecular orientation of molecules as observed via nonlinear optical spectroscopic methods. Finally, via canonical molecular dynamics simulations, we assess the model's ability to reproduce the vapor-liquid equilibrium from 298 to 423 K, the simulation data then used to obtain estimates of the model's critical temperature and density. The model predicts a critical temperature of 470.1 K and critical density of 0.312 g/cm3 compared to the experimental values of 512.65 K and 0.279 g/cm3, respectively. The model underestimates the critical temperature by 8% and overestimates the critical density by 10%, and in this sense is roughly equivalent to the underlying fixed-charge CHARMM22 force field.

AGCM Biases in Evaporation Regime: Impacts on Soil Moisture Memory and Land-Atmosphere Feedback

NASA Technical Reports Server (NTRS)

Mahanama, Sarith P. P.; Koster, Randal D.

2005-01-01

Because precipitation and net radiation in an atmospheric general circulation model (AGCM) are typically biased relative to observations, the simulated evaporative regime of a region may be biased, with consequent negative effects on the AGCM s ability to translate an initialized soil moisture anomaly into an improved seasonal prediction. These potential problems are investigated through extensive offline analyses with the Mosaic land surface model (LSM). We first forced the LSM globally with a 15-year observations-based dataset. We then repeated the simulation after imposing a representative set of GCM climate biases onto the forcings - the observational forcings were scaled so that their mean seasonal cycles matched those simulated by the NSIPP-1 (NASA Global Modeling and Assimilation Office) AGCM over the same period-The AGCM s climate biases do indeed lead to significant biases in evaporative regime in certain regions, with the expected impacts on soil moisture memory timescales. Furthermore, the offline simulations suggest that the biased forcing in the AGCM should contribute to overestimated feedback in certain parts of North America - parts already identified in previous studies as having excessive feedback. The present study thus supports the notion that the reduction of climate biases in the AGCM will lead to more appropriate translations of soil moisture initialization into seasonal prediction skill.

A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds

DOE PAGES

Biegert, Edward; Vowinckel, Bernhard; Meiburg, Eckart

2017-03-21

We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a lubrication force for particles in close proximity to another solid object, a normal contact force to prevent particles from overlapping, and a tangential contact force to account for friction. Our model extends the work of previous authors to improve upon the time integration scheme to obtain consistent results for particle-wall collisions. Furthermore, we account for polydisperse spherical particles and introduce new criteria to account formore » enduring contact, which occurs in many sediment transport situations. This is done without using arbitrary values for physically-defined parameters and by maintaining the full momentum balance of a particle in enduring contact. Lastly, we validate our model against several test cases for binary particle-wall collisions as well as the collective motion of a sediment bed sheared by a viscous flow, yielding satisfactory agreement with experimental data by various authors.« less

A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds

NASA Astrophysics Data System (ADS)

Biegert, Edward; Vowinckel, Bernhard; Meiburg, Eckart

2017-07-01

We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a lubrication force for particles in close proximity to another solid object, a normal contact force to prevent particles from overlapping, and a tangential contact force to account for friction. Our model extends the work of previous authors to improve upon the time integration scheme to obtain consistent results for particle-wall collisions. Furthermore, we account for polydisperse spherical particles and introduce new criteria to account for enduring contact, which occurs in many sediment transport situations. This is done without using arbitrary values for physically-defined parameters and by maintaining the full momentum balance of a particle in enduring contact. We validate our model against several test cases for binary particle-wall collisions as well as the collective motion of a sediment bed sheared by a viscous flow, yielding satisfactory agreement with experimental data by various authors.

Method for obtaining aerodynamic data on hypersonic configurations with scramjet exhaust flow simulation

NASA Technical Reports Server (NTRS)

Hartill, W. R.

1977-01-01

A hypersonic wind tunnel test method for obtaining credible aerodynamic data on a complete hypersonic vehicle (generic X-24c) with scramjet exhaust flow simulation is described. The general problems of simulating the scramjet exhaust as well as accounting for scramjet inlet flow and vehicle forces are analyzed, and candidate test methods are described and compared. The method selected as most useful makes use of a thrust-minus-drag flow-through balance with a completely metric model. Inlet flow is diverted by a fairing. The incremental effect of the fairing is determined in the testing of two reference models. The net thrust of the scramjet module is an input to be determined in large-scale module tests with scramjet combustion. Force accounting is described, and examples of force component levels are predicted. Compatibility of the test method with candidate wind tunnel facilities is described, and a preliminary model mechanical arrangement drawing is presented. The balance design and performance requirements are described in a detailed specification. Calibration procedures, model instrumentation, and a test plan for the model are outlined.

A study of different modeling choices for simulating platelets within the immersed boundary method

PubMed Central

Shankar, Varun; Wright, Grady B.; Fogelson, Aaron L.; Kirby, Robert M.

2012-01-01

The Immersed Boundary (IB) method is a widely-used numerical methodology for the simulation of fluid–structure interaction problems. The IB method utilizes an Eulerian discretization for the fluid equations of motion while maintaining a Lagrangian representation of structural objects. Operators are defined for transmitting information (forces and velocities) between these two representations. Most IB simulations represent their structures with piecewise linear approximations and utilize Hookean spring models to approximate structural forces. Our specific motivation is the modeling of platelets in hemodynamic flows. In this paper, we study two alternative representations – radial basis functions (RBFs) and Fourier-based (trigonometric polynomials and spherical harmonics) representations – for the modeling of platelets in two and three dimensions within the IB framework, and compare our results with the traditional piecewise linear approximation methodology. For different representative shapes, we examine the geometric modeling errors (position and normal vectors), force computation errors, and computational cost and provide an engineering trade-off strategy for when and why one might select to employ these different representations. PMID:23585704

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

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.

Cortical bone drilling: An experimental and numerical study.

PubMed

Alam, Khurshid; Bahadur, Issam M; Ahmed, Naseer

2014-12-16

Bone drilling is a common surgical procedure in orthopedics, dental and neurosurgeries. In conventional bone drilling process, the surgeon exerts a considerable amount of pressure to penetrate the drill into the bone tissue. Controlled penetration of drill in the bone is necessary for safe and efficient drilling. Development of a validated Finite Element (FE) model of cortical bone drilling. Drilling experiments were conducted on bovine cortical bone. The FE model of the bone drilling was based on mechanical properties obtained from literature data and additionally conducted microindentation tests on the cortical bone. The magnitude of stress in bone was found to decrease exponentially away from the lips of the drill in simulations. Feed rate was found to be the main influential factor affecting the force and torque in the numerical simulations and experiments. The drilling thrust force and torque were found to be unaffected by the drilling speed in numerical simulations. Simulated forces and torques were compared with experimental results for similar drilling conditions and were found in good agreement.CONCLUSIONS: FE schemes may be successfully applied to model complex kinematics of bone drilling process.

Forced and Free Intra-Seasonal Variability Over the South Asian Monsoon Region Simulated by 10 AGCMs

NASA Technical Reports Server (NTRS)

Wu, Man Li C.; Kang, In-Sik; Waliser, Duane; Atlas, Robert (Technical Monitor)

2001-01-01

This study examines intra-seasonal (20-70 day) variability in the South Asian monsoon region during 1997/98 in ensembles of 10 simulations with 10 different atmospheric general circulation models. The 10 ensemble members for each model are forced with the same observed weekly sea surface temperature (SST) but differ from each other in that they are started from different initial atmospheric conditions. The results show considerable differences between the models in the simulated 20-70 day variability, ranging from much weaker to much stronger than the observed. A key result is that the models do produce, to varying degrees, a response to the imposed weekly SST. The forced variability tends to be largest in the Indian and western Pacific Oceans where, for some models, it accounts for more than 1/4 of the 20-70 day intra-seasonal variability in the upper level velocity potential during these two years. A case study of a strong observed MJO (intraseasonal oscillation) event shows that the models produce an ensemble mean eastward propagating signal in the tropical precipitation field over the Indian Ocean and western Pacific, similar to that found in the observations. The associated forced 200 mb velocity potential anomalies are strongly phase locked with the precipitation anomalies, propagating slowly to the east (about 5 m/s) with a local zonal wave number two pattern that is generally consistent with the developing observed MJO. The simulated and observed events are, however, approximately in quadrature, with the simulated response 2 leading by 5-10 days. The phase lag occurs because, in the observations, the positive SST anomalies develop upstream of the main convective center in the subsidence region of the MJO, while in the simulations, the forced component is in phase with the SST. For all the models examined here, the intraseasonal variability is dominated by the free (intra-ensemble) component. The results of our case study show that the free variability has a predominately zonal wave number one pattern, and has propagation speeds (10 - 15 m/s) that are more typical of observed MJO behavior away from the convectively active regions. The free variability appears to be synchronized with the forced response, at least, during the strong event examined here. The results of this study support the idea that coupling with SSTs plays an important, though probably not dominant, role in the MJO. The magnitude of the atmospheric response to the SST appears to be in the range of 15% - 30% of the 20-70 day variability over much of the tropical eastern Indian and western Pacific Oceans. The results also highlight the need to use caution when interpreting atmospheric model simulations in which the prescribed SST resolve MJO time scales.

The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics.

PubMed

Yao, Kun; Herr, John E; Toth, David W; Mckintyre, Ryker; Parkhill, John

2018-02-28

Traditional force fields cannot model chemical reactivity, and suffer from low generality without re-fitting. Neural network potentials promise to address these problems, offering energies and forces with near ab initio accuracy at low cost. However a data-driven approach is naturally inefficient for long-range interatomic forces that have simple physical formulas. In this manuscript we construct a hybrid model chemistry consisting of a nearsighted neural network potential with screened long-range electrostatic and van der Waals physics. This trained potential, simply dubbed "TensorMol-0.1", is offered in an open-source Python package capable of many of the simulation types commonly used to study chemistry: geometry optimizations, harmonic spectra, open or periodic molecular dynamics, Monte Carlo, and nudged elastic band calculations. We describe the robustness and speed of the package, demonstrating its millihartree accuracy and scalability to tens-of-thousands of atoms on ordinary laptops. We demonstrate the performance of the model by reproducing vibrational spectra, and simulating the molecular dynamics of a protein. Our comparisons with electronic structure theory and experimental data demonstrate that neural network molecular dynamics is poised to become an important tool for molecular simulation, lowering the resource barrier to simulating chemistry.

Derivation of original RESP atomic partial charges for MD simulations of the LDAO surfactant with AMBER: applications to a model of micelle and a fragment of the lipid kinase PI4KA.

PubMed

Karakas, Esra; Taveneau, Cyntia; Bressanelli, Stéphane; Marchi, Massimo; Robert, Bruno; Abel, Stéphane

2017-01-01

In this paper, we describe the derivation and the validation of original RESP atomic partial charges for the N, N-dimethyl-dodecylamine oxide (LDAO) surfactant. These charges, designed to be fully compatible with all the AMBER force fields, are at first tested against molecular dynamics simulations of pure LDAO micelles and with a fragment of the lipid kinase PIK4A (DI) modeled with the QUARK molecular modeling server. To model the micelle, we used two distinct AMBER force fields (i.e. Amber99SB and Lipid14) and a variety of starting conditions. We find that the micelle structural properties (such as the shape, size, the LDAO headgroup hydration, and alkyl chain conformation) slightly depend on the force field but not on the starting conditions and more importantly are in good agreement with experiments and previous simulations. We also show that the Lipid14 force field should be used instead of the Amber99SB one to better reproduce the C(sp3)C(sp3)C(sp3)C(sp3) conformation in the surfactant alkyl chain. Concerning the simulations with LDAO-DI protein, we carried out different runs at two NaCl concentrations (i.e. 0 and 300 mM) to mimic, in the latter case, the experimental conditions. We notice a small dependence of the simulation results with the LDAO parameters and the salt concentration. However, we find that in the simulations, three out of four tryptophans of the DI protein are not accessible to water in agreement with our fluorescence spectroscopy experiments reported in the paper.

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.

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.

Toward optimized potential functions for protein-protein interactions in aqueous solutions: osmotic second virial coefficient calculations using the MARTINI coarse-grained force field

PubMed Central

Stark, Austin C.; Andrews, Casey T.

2013-01-01

Coarse-grained (CG) simulation methods are now widely used to model the structure and dynamics of large biomolecular systems. One important issue for using such methods – especially with regard to using them to model, for example, intracellular environments – is to demonstrate that they can reproduce experimental data on the thermodynamics of protein-protein interactions in aqueous solutions. To examine this issue, we describe here simulations performed using the popular coarse-grained MARTINI force field, aimed at computing the thermodynamics of lysozyme and chymotrypsinogen self-interactions in aqueous solution. Using molecular dynamics simulations to compute potentials of mean force between a pair of protein molecules, we show that the original parameterization of the MARTINI force field is likely to significantly overestimate the strength of protein-protein interactions to the extent that the computed osmotic second virial coefficients are orders of magnitude more negative than experimental estimates. We then show that a simple down-scaling of the van der Waals parameters that describe the interactions between protein pseudo-atoms can bring the simulated thermodynamics into much closer agreement with experiment. Overall, the work shows that it is feasible to test explicit-solvent CG force fields directly against thermodynamic data for proteins in aqueous solutions, and highlights the potential usefulness of osmotic second virial coefficient measurements for fully parameterizing such force fields. PMID:24223529

Toward optimized potential functions for protein-protein interactions in aqueous solutions: osmotic second virial coefficient calculations using the MARTINI coarse-grained force field.

PubMed

Stark, Austin C; Andrews, Casey T; Elcock, Adrian H

2013-09-10

Coarse-grained (CG) simulation methods are now widely used to model the structure and dynamics of large biomolecular systems. One important issue for using such methods - especially with regard to using them to model, for example, intracellular environments - is to demonstrate that they can reproduce experimental data on the thermodynamics of protein-protein interactions in aqueous solutions. To examine this issue, we describe here simulations performed using the popular coarse-grained MARTINI force field, aimed at computing the thermodynamics of lysozyme and chymotrypsinogen self-interactions in aqueous solution. Using molecular dynamics simulations to compute potentials of mean force between a pair of protein molecules, we show that the original parameterization of the MARTINI force field is likely to significantly overestimate the strength of protein-protein interactions to the extent that the computed osmotic second virial coefficients are orders of magnitude more negative than experimental estimates. We then show that a simple down-scaling of the van der Waals parameters that describe the interactions between protein pseudo-atoms can bring the simulated thermodynamics into much closer agreement with experiment. Overall, the work shows that it is feasible to test explicit-solvent CG force fields directly against thermodynamic data for proteins in aqueous solutions, and highlights the potential usefulness of osmotic second virial coefficient measurements for fully parameterizing such force fields.

Design, analysis, and fabrication of a piezoelectric force plate

NASA Astrophysics Data System (ADS)

Hoummadi, Elias; Safaei, Mohsen; Anton, Steven R.

2017-04-01

Force plates are used to detect static and dynamic reaction forces due to presence of stationary or moving objects as well as the location of applied forces. The application of force plates in various biomechanical fields, such as gait analysis, has been widely suggested and investigated in the past. Several sensor technologies like piezoelectrics, capacitance gauges, and piezoresistive sensors are utilized to develop force plates with special characteristics. Among the technologies employed in force plate designs, piezoelectrics present the ability of providing a self-powered sensory system. Recently, it has been suggested to implement piezoelectric transducers as sensors in the tibial bearing of total knee replacement (TKR) implants in order to transform the knee bearing into a force plate with the ability to detect force and contact point location for in vivo knee load analysis. Considering this application, a simplified design of a force plate instrumented with six piezoelectric transducers is presented in this study. The force plate is modeled using a finite element (FE) model to investigate the sensing performance of the system. In order to validate the simulation, a prototype force plate is fabricated and tested under the same loading condition applied on the FE model. The results are presented in terms of measured location and amplitude of applied force measured by the piezoelectric transducers. For the FE simulation, the deviation of the measured location of the applied force from the actual location is obtained as 0.62 mm in the x-direction and 0.13 mm in the y-direction, and the error in the amplitude of the measured force is 0.03% of the applied force. On the other hand, the deviation in the measured location of the force from the experimental test is 0.53 mm in the x-direction and 0.1 mm in the y-direction, while the error in force is 3.6% of the applied force. The small quantities of error in both sensed location and amplitude of applied force obtained from the FE simulation and experimental test results demonstrates the potential of the proposed design to be utilized as the sensor in the knee bearing of TKR implants.

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

Sensitivity of Shallow Convection in Large-Eddy Simulations to Forcing Datasets Across a Range of Days: Examining Results from the DOE LASSO Projec

NASA Astrophysics Data System (ADS)

Gustafson, W. I., Jr.; Vogelmann, A. M.; Li, Z.; Cheng, X.; Endo, S.; Krishna, B.; Toto, T.; Xiao, H.

2017-12-01

Large-eddy simulation (LES) is a powerful tool for understanding atmospheric turbulence and cloud development. However, the results are sensitive to the choice of forcing data sets used to drive the LES model, and the most realistic forcing data is difficult to identify a priori. Knowing the sensitivity of boundary layer and cloud processes to forcing data selection is critical when using LES to understand atmospheric processes and when developing associated parameterizations. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility has been developing the capability to routinely generate ensembles of LES based on a selection of plausible input forcing data sets. The LES ARM Symbiotic Simulation and Observation (LASSO) project is initially generating simulations for shallow convection days at the ARM Southern Great Plains site in Oklahoma. This talk will examine 13 days with shallow convection selected from the period May-August 2016, with multiple forcing sources and spatial scales used to generate an LES ensemble for each of the days, resulting in hundreds of LES runs with coincident observations from ARM's extensive suite of in situ and retrieval-based products. This talk will focus particularly on the sensitivity of the cloud development and its relation to forcing data. Variability of the PBL characteristics, lifting condensation level, cloud base height, cloud fraction, and liquid water path will be examined. More information about the LASSO project can be found at https://www.arm.gov/capabilities/modeling/lasso.

Exploring the Circulation Dynamics of Mississippi Sound and Bight Using the CONCORDE Synthesis Model

NASA Astrophysics Data System (ADS)

Pan, C.; Dinniman, M. S.; Fitzpatrick, P. J.; Lau, Y.; Cambazoglu, M. K.; Parra, S. M.; Hofmann, E. E.; Dzwonkowski, B.; Warner, S. J.; O'Brien, S. J.; Dykstra, S. L.; Wiggert, J. D.

2017-12-01

As part of the modeling effort of the GOMRI (Gulf of Mexico Research Initiative)-funded CONCORDE consortium, a high resolution ( 400 m) regional ocean model is implemented for the Mississippi (MS) Sound and Bight. The model is based on the Coupled Ocean Atmosphere Wave Sediment Transport Modeling System (COAWST), with initial and lateral boundary conditions drawn from data assimilative 3-day forecasts of the 1km-resolution Gulf of Mexico Navy Coastal Ocean Model (GOM-NCOM). The model initiates on 01/01/2014 and runs for 3 years. The model results are validated with available remote sensing data and with CONCORDE's moored and ship-based in-situ observations. Results from a three-year simulation (2014-2016) show that ocean circulation and water properties of the MS Sound and Bight are sensitive to meteorological forcing. A low resolution surface forcing, drawn from the North America Regional Reanalysis (NARR), and a high resolution forcing, called CONCORDE Meteorological Analysis (CMA) ) that resolves the diurnal sea breeze, are used to drive the model to examine the sensitivity of the circulation to surface forcing. The model responses to the low resolution NARR forcing and to the high resolution CMA are compared in detail for the CONCORDE Fall and Spring field campaigns when contemporaneous in situ data are available, with a focus on how simulated exchanges between MS Sound and MS Bight are impacted. In most cases, the model shows higher simulation skill when it is driven by CMA. Freshwater plumes of the MS River, MS Sound and Mobile Bay influence the shelf waters of the MS Bight in terms of material budget and dynamics. Drifters and dye experiments near Mobile Bay demonstrate that material exchanges between Mobile Bay and the Sound, and between the Sound and Bight, are sensitive to the wind strength and direction. A model - data comparison targeting the Mobile Bay plume suggests that under both northerly and southerly wind conditions the model is capable of simulating the variation of the plume in terms of velocity, plume extent, heat and salt budgets.

Omens of coupled model biases in the CMIP5 AMIP simulations

NASA Astrophysics Data System (ADS)

Găinuşă-Bogdan, Alina; Hourdin, Frédéric; Traore, Abdoul Khadre; Braconnot, Pascale

2018-02-01

Despite decades of efforts and improvements in the representation of processes as well as in model resolution, current global climate models still suffer from a set of important, systematic biases in sea surface temperature (SST), not much different from the previous generation of climate models. Many studies have looked at errors in the wind field, cloud representation or oceanic upwelling in coupled models to explain the SST errors. In this paper we highlight the relationship between latent heat flux (LH) biases in forced atmospheric simulations and the SST biases models develop in coupled mode, at the scale of the entire intertropical domain. By analyzing 22 pairs of forced atmospheric and coupled ocean-atmosphere simulations from the CMIP5 database, we show a systematic, negative correlation between the spatial patterns of these two biases. This link between forced and coupled bias patterns is also confirmed by two sets of dedicated sensitivity experiments with the IPSL-CM5A-LR model. The analysis of the sources of the atmospheric LH bias pattern reveals that the near-surface wind speed bias dominates the zonal structure of the LH bias and that the near-surface relative humidity dominates the east-west contrasts.

Dynamic vehicle-track interaction in switches and crossings and the influence of rail pad stiffness - field measurements and validation of a simulation model

NASA Astrophysics Data System (ADS)

Pålsson, Björn A.; Nielsen, Jens C. O.

2015-06-01

A model for simulation of dynamic interaction between a railway vehicle and a turnout (switch and crossing, S&C) is validated versus field measurements. In particular, the implementation and accuracy of viscously damped track models with different complexities are assessed. The validation data come from full-scale field measurements of dynamic track stiffness and wheel-rail contact forces in a demonstrator turnout that was installed as part of the INNOTRACK project with funding from the European Union Sixth Framework Programme. Vertical track stiffness at nominal wheel loads, in the frequency range up to 20 Hz, was measured using a rolling stiffness measurement vehicle (RSMV). Vertical and lateral wheel-rail contact forces were measured by an instrumented wheel set mounted in a freight car featuring Y25 bogies. The measurements were performed for traffic in both the through and diverging routes, and in the facing and trailing moves. The full set of test runs was repeated with different types of rail pad to investigate the influence of rail pad stiffness on track stiffness and contact forces. It is concluded that impact loads on the crossing can be reduced by using more resilient rail pads. To allow for vehicle dynamics simulations at low computational cost, the track models are discretised space-variant mass-spring-damper models that are moving with each wheel set of the vehicle model. Acceptable agreement between simulated and measured vertical contact forces at the crossing can be obtained when the standard GENSYS track model is extended with one ballast/subgrade mass under each rail. This model can be tuned to capture the large phase delay in dynamic track stiffness at low frequencies, as measured by the RSMV, while remaining sufficiently resilient at higher frequencies.

Dynamic behavior and deformation analysis of the fish cage system using mass-spring model

NASA Astrophysics Data System (ADS)

Lee, Chun Woo; Lee, Jihoon; Park, Subong

2015-06-01

Fish cage systems are influenced by various oceanic conditions, and the movements and deformation of the system by the external forces can affect the safety of the system itself, as well as the species of fish being cultivated. Structural durability of the system against environmental factors has been major concern for the marine aquaculture system. In this research, a mathematical model and a simulation method were presented for analyzing the performance of the large-scale fish cage system influenced by current and waves. The cage system consisted of netting, mooring ropes, floats, sinkers and floating collar. All the elements were modeled by use of the mass-spring model. The structures were divided into finite elements and mass points were placed at the mid-point of each element, and mass points were connected by springs without mass. Each mass point was applied to external and internal forces, and total force was calculated in every integration step. The computation method was applied to the dynamic simulation of the actual fish cage systems rigged with synthetic fiber and copper wire simultaneously influenced by current and waves. Here, we also tried to find a relevant ratio between buoyancy and sinking force of the fish cages. The simulation results provide improved understanding of the behavior of the structure and valuable information concerning optimum ratio of the buoyancy to sinking force according to current speeds.

Experimental Research on the Dense CFB's Riser and the Simulation Based on the EMMS Model

NASA Astrophysics Data System (ADS)

Wang, X. Y.; Wang, S. D.; Fan, B. G.; Liao, L. L.; Jiang, F.; Xu, X.; Wu, X. Z.; Xiao, Y. H.

2010-03-01

The flow structure in the CFB (circulating fluidized bed) riser has been investigated. Experimental studies were performed in a cold square section unit with 270 mm×270 mm×10 m. Since the drag force model based on homogeneous two-phase flow such as the Gidaspow drag model could not depict the heterogeneous structures of the gas-solid flow, the structure-dependent energy-minimization multi-scale (EMMS) model based on the heterogenerity was applied in the paper and a revised drag force model based on the EMMS model was proposed. A 2D two-fluid model was used to simulate a bench-scale square cross-section riser of a cold CFB. The typical core-annulus structure and the back-mixing near the wall of the riser were observed and the assembly and fragmentation processes of clusters were captured. By comparing with the Gidaspow drag model, the results obtained by the revised drag model based on EMMS shows better consistency with the experimental data. The model can also depict the difference from the two exit configurations. This study once again proves the key role of drag force in CFD (Computational Fluid Dynamics) simulation and also shows the availability of the revised drag model to describe the gas-solid flow in CFB risers.

Modelling and simulation of particle-particle interaction in a magnetophoretic bio-separation chip

NASA Astrophysics Data System (ADS)

Alam, Manjurul; Golozar, Matin; Darabi, Jeff

2018-04-01

A Lagrangian particle trajectory model is developed to predict the interaction between cell-bead particle complexes and to track their trajectories in a magnetophoretic bio-separation chip. Magnetic flux gradients are simulated in the OpenFOAM CFD software and imported into MATLAB to obtain the trapping lengths and trajectories of the particles. A connector vector is introduced to calculate the interaction force between cell-bead complexes as they flow through a microfluidic device. The interaction force calculations are performed for cases where the connector vector is parallel, perpendicular, and at an angle of 45° with the applied magnetic field. The trajectories of the particles are simulated by solving a system of eight ordinary differential equations using a fourth order Runge-Kutta method. The model is then used to study the effects of geometric positions and angles of the connector vector between the particles as well as the cell size, number of beads per cell, and flow rate on the interaction force and trajectories of the particles. The results show that the interaction forces may be attractive or repulsive, depending on the orientation of the connector vector distance between the particle complexes and the applied magnetic field. When the interaction force is attractive, the particles are observed to merge and trap sooner than a single particle, whereas a repulsive interaction force has little or no effect on the trapping length.

Enhanced model of gear transmission dynamics for condition monitoring applications: Effects of torque, friction and bearing clearance

NASA Astrophysics Data System (ADS)

Fernandez-del-Rincon, A.; Garcia, P.; Diez-Ibarbia, A.; de-Juan, A.; Iglesias, M.; Viadero, F.

2017-02-01

Gear transmissions remain as one of the most complex mechanical systems from the point of view of noise and vibration behavior. Research on gear modeling leading to the obtaining of models capable of accurately reproduce the dynamic behavior of real gear transmissions has spread out the last decades. Most of these models, although useful for design stages, often include simplifications that impede their application for condition monitoring purposes. Trying to filling this gap, the model presented in this paper allows us to simulate gear transmission dynamics including most of these features usually neglected by the state of the art models. This work presents a model capable of considering simultaneously the internal excitations due to the variable meshing stiffness (including the coupling among successive tooth pairs in contact, the non-linearity linked with the contacts between surfaces and the dissipative effects), and those excitations consequence of the bearing variable compliance (including clearances or pre-loads). The model can also simulate gear dynamics in a realistic torque dependent scenario. The proposed model combines a hybrid formulation for calculation of meshing forces with a non-linear variable compliance approach for bearings. Meshing forces are obtained by means of a double approach which combines numerical and analytical aspects. The methodology used provides a detailed description of the meshing forces, allowing their calculation even when gear center distance is modified due to shaft and bearing flexibilities, which are unavoidable in real transmissions. On the other hand, forces at bearing level were obtained considering a variable number of supporting rolling elements, depending on the applied load and clearances. Both formulations have been developed and applied to the simulation of the vibration of a sample transmission, focusing the attention on the transmitted load, friction meshing forces and bearing preloads.

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.

User's manual for a parameter identification technique. [with options for model simulation for fixed input forcing functions and identification from wind tunnel and flight measurements

NASA Technical Reports Server (NTRS)

Kanning, G.

1975-01-01

A digital computer program written in FORTRAN is presented that implements the system identification theory for deterministic systems using input-output measurements. The user supplies programs simulating the mathematical model of the physical plant whose parameters are to be identified. The user may choose any one of three options. The first option allows for a complete model simulation for fixed input forcing functions. The second option identifies up to 36 parameters of the model from wind tunnel or flight measurements. The third option performs a sensitivity analysis for up to 36 parameters. The use of each option is illustrated with an example using input-output measurements for a helicopter rotor tested in a wind tunnel.

Simulations of surface winds at the Viking Lander sites using a one-level model

NASA Technical Reports Server (NTRS)

Bridger, Alison F. C.; Haberle, Robert M.

1992-01-01

The one-level model developed by Mass and Dempsey for use in predicting surface flows in regions of complex terrain was adapted to simulate surface flows at the Viking lander sites on Mars. In the one-level model, prediction equations for surface winds and temperatures are formulated and solved. Surface temperatures change with time in response to diabatic heating, horizontal advection, adiabatic heating and cooling effects, and horizontal diffusion. Surface winds can change in response to horizontal advection, pressure gradient forces, Coriolis forces, surface drag, and horizontal diffusion. Surface pressures are determined by integration of the hydrostatic equation from the surface to some reference level. The model has successfully simulated surface flows under a variety of conditions in complex-terrain regions on Earth.

LDRD project final report : hybrid AI/cognitive tactical behavior framework for LVC.

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

Djordjevich, Donna D.; Xavier, Patrick Gordon; Brannon, Nathan Gregory

This Lab-Directed Research and Development (LDRD) sought to develop technology that enhances scenario construction speed, entity behavior robustness, and scalability in Live-Virtual-Constructive (LVC) simulation. We investigated issues in both simulation architecture and behavior modeling. We developed path-planning technology that improves the ability to express intent in the planning task while still permitting an efficient search algorithm. An LVC simulation demonstrated how this enables 'one-click' layout of squad tactical paths, as well as dynamic re-planning for simulated squads and for real and simulated mobile robots. We identified human response latencies that can be exploited in parallel/distributed architectures. We did an experimentalmore » study to determine where parallelization would be productive in Umbra-based force-on-force (FOF) simulations. We developed and implemented a data-driven simulation composition approach that solves entity class hierarchy issues and supports assurance of simulation fairness. Finally, we proposed a flexible framework to enable integration of multiple behavior modeling components that model working memory phenomena with different degrees of sophistication.« less

Evaluating the Performance of the ff99SB Force Field Based on NMR Scalar Coupling Data

PubMed Central

Wickstrom, Lauren; Okur, Asim; Simmerling, Carlos

2009-01-01

Abstract Force-field validation is essential for the identification of weaknesses in current models and the development of more accurate models of biomolecules. NMR coupling and relaxation methods have been used to effectively diagnose the strengths and weaknesses of many existing force fields. Studies using the ff99SB force field have shown excellent agreement between experimental and calculated order parameters and residual dipolar calculations. However, recent studies have suggested that ff99SB demonstrates poor agreement with J-coupling constants for short polyalanines. We performed extensive replica-exchange molecular-dynamics simulations on Ala3 and Ala5 in TIP3P and TIP4P-Ew solvent models. Our results suggest that the performance of ff99SB is among the best of currently available models. In addition, scalar coupling constants derived from simulations in the TIP4P-Ew model show a slight improvement over those obtained using the TIP3P model. Despite the overall excellent agreement, the data suggest areas for possible improvement. PMID:19651043

The FEM Simulation on End Mill of Plastic Doors and Windows Corner Cleaning Based on Deform-3D

NASA Astrophysics Data System (ADS)

Li, Guoping; Huang, Zhenyong; Wang, Xiaohui

2017-12-01

In the plastic doors and windows corner cleaning process, the rotating speed, the feed rate and the milling cutter diameter are the main factors that affect the efficiency and quality of the of corner cleaning. In this paper, SolidWorks will be used to establish the 3D model of end mills, and use Deform-3D to research the end mill milling process. And using orthogonal experiment design method to analyze the effect of rotating speed, the feed rate and the milling cutter diameter on the axial force variation, and to get the overall trend of axial force and the selection of various parameters according to the influence of axial force change. Finally, simulate milling experiment used to get the actual axial force data to verify the reliability of the FEM simulation model. And the conclusion obtained in this paper has important theoretical value in improving the plastic doors and windows corner cleaning efficiency and quality.

Lattice model for amyloid peptides: OPEP force field parametrization and applications to the nucleus size of Alzheimer’s peptides

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

Tran, Thanh Thuy; Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr; Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr

Coarse-grained protein lattice models approximate atomistic details and keep the essential interactions. They are, therefore, suitable for capturing generic features of protein folding and amyloid formation at low computational cost. As our aim is to study the critical nucleus sizes of two experimentally well-characterized peptide fragments Aβ{sub 16−22} and Aβ{sub 37−42} of the full length Aβ{sub 1−42} Alzheimer’s peptide, it is important that simulations with the lattice model reproduce all-atom simulations. In this study, we present a comprehensive force field parameterization based on the OPEP (Optimized Potential for Efficient protein structure Prediction) force field for an on-lattice protein model, whichmore » incorporates explicitly the formation of hydrogen bonds and directions of side-chains. Our bottom-up approach starts with the determination of the best lattice force parameters for the Aβ{sub 16−22} dimer by fitting its equilibrium parallel and anti-parallel β-sheet populations to all-atom simulation results. Surprisingly, the calibrated force field is transferable to the trimer of Aβ{sub 16−22} and the dimer and trimer of Aβ{sub 37−42}. Encouraged by this finding, we characterized the free energy landscapes of the two decamers. The dominant structure of the Aβ{sub 16−22} decamer matches the microcrystal structure. Pushing the simulations for aggregates between 4-mer and 12-mer suggests a nucleus size for fibril formation of 10 chains. In contrast, the Aβ{sub 37−42} decamer is largely disordered with mixed by parallel and antiparallel chains, suggesting that the nucleus size is >10 peptides. Our refined force field coupled to this on-lattice model should provide useful insights into the critical nucleation number associated with neurodegenerative diseases.« less

Tsunami Simulators in Physical Modelling Laboratories - From Concept to Proven Technique

NASA Astrophysics Data System (ADS)

Allsop, W.; Chandler, I.; Rossetto, T.; McGovern, D.; Petrone, C.; Robinson, D.

2016-12-01

Before 2004, there was little public awareness around Indian Ocean coasts of the potential size and effects of tsunami. Even in 2011, the scale and extent of devastation by the Japan East Coast Tsunami was unexpected. There were very few engineering tools to assess onshore impacts of tsunami, so no agreement on robust methods to predict forces on coastal defences, buildings or related infrastructure. Modelling generally used substantial simplifications of either solitary waves (far too short durations) or dam break (unrealistic and/or uncontrolled wave forms).This presentation will describe research from EPI-centre, HYDRALAB IV, URBANWAVES and CRUST projects over the last 10 years that have developed and refined pneumatic Tsunami Simulators for the hydraulic laboratory. These unique devices have been used to model generic elevated and N-wave tsunamis up to and over simple shorelines, and at example defences. They have reproduced full-duration tsunamis including the Mercator trace from 2004 at 1:50 scale. Engineering scale models subjected to those tsunamis have measured wave run-up on simple slopes, forces on idealised sea defences and pressures / forces on buildings. This presentation will describe how these pneumatic Tsunami Simulators work, demonstrate how they have generated tsunami waves longer than the facility within which they operate, and will highlight research results from the three generations of Tsunami Simulator. Of direct relevance to engineers and modellers will be measurements of wave run-up levels and comparison with theoretical predictions. Recent measurements of forces on individual buildings have been generalized by separate experiments on buildings (up to 4 rows) which show that the greatest forces can act on the landward (not seaward) buildings. Continuing research in the 70m long 4m wide Fast Flow Facility on tsunami defence structures have also measured forces on buildings in the lee of a failed defence wall.

Determination of the mechanical and physical properties of cartilage by coupling poroelastic-based finite element models of indentation with artificial neural networks.

PubMed

Arbabi, Vahid; Pouran, Behdad; Campoli, Gianni; Weinans, Harrie; Zadpoor, Amir A

2016-03-21

One of the most widely used techniques to determine the mechanical properties of cartilage is based on indentation tests and interpretation of the obtained force-time or displacement-time data. In the current computational approaches, one needs to simulate the indentation test with finite element models and use an optimization algorithm to estimate the mechanical properties of cartilage. The modeling procedure is cumbersome, and the simulations need to be repeated for every new experiment. For the first time, we propose a method for fast and accurate estimation of the mechanical and physical properties of cartilage as a poroelastic material with the aid of artificial neural networks. In our study, we used finite element models to simulate the indentation for poroelastic materials with wide combinations of mechanical and physical properties. The obtained force-time curves are then divided into three parts: the first two parts of the data is used for training and validation of an artificial neural network, while the third part is used for testing the trained network. The trained neural network receives the force-time curves as the input and provides the properties of cartilage as the output. We observed that the trained network could accurately predict the properties of cartilage within the range of properties for which it was trained. The mechanical and physical properties of cartilage could therefore be estimated very fast, since no additional finite element modeling is required once the neural network is trained. The robustness of the trained artificial neural network in determining the properties of cartilage based on noisy force-time data was assessed by introducing noise to the simulated force-time data. We found that the training procedure could be optimized so as to maximize the robustness of the neural network against noisy force-time data. Copyright © 2016 Elsevier Ltd. All rights reserved.

Internal Energy Transfer and Dissociation Model Development using Accelerated First-Principles Simulations of Hypersonic Flow Features

DTIC Science & Technology

2013-07-11

in Fig. 3) is simulated. Each atom interacts with its neighboring atoms through a potential energy surface (PES), such as the simple Lennard - Jones ... Lennard -­‐ Jones  (LJ)   potential  energy  surface  (PES)  dictating  atomic  interaction  forces. The main point of this section is to...the potential energy surface (PES) that governs individual atomic interaction forces. In contrast to existing rotational energy models, we found

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

Nanoscale effects in the characterization of viscoelastic materials with atomic force microscopy: Coupling of a quasi-three-dimensional standard linear solid model with in-plane surface interactions

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

Solares, Santiago D.

Significant progress has been accomplished in the development of experimental contact-mode and dynamic-mode atomic force microscopy (AFM) methods designed to measure surface material properties. However, current methods are based on one-dimensional (1D) descriptions of the tip-sample interaction forces, thus neglecting the intricacies involved in the material behavior of complex samples (such as soft viscoelastic materials) as well as the differences in material response between the surface and the bulk. In order to begin to address this gap, a computational study is presented where the sample is simulated using an enhanced version of a recently introduced model that treats the surfacemore » as a collection of standard-linear-solid viscoelastic elements. The enhanced model introduces in-plane surface elastic forces that can be approximately related to a two-dimensional (2D) Young's modulus. Relevant cases are discussed for single-and multifrequency intermittent-contact AFM imaging, with focus on the calculated surface indentation profiles and tip-sample interaction force curves, as well as their implications with regards to experimental interpretation. A variety of phenomena are examined in detail, which highlight the need for further development of more physically accurate sample models that are specifically designed for AFM simulation. As a result, a multifrequency AFM simulation tool based on the above sample model is provided as supporting information.« less

Nanoscale effects in the characterization of viscoelastic materials with atomic force microscopy: Coupling of a quasi-three-dimensional standard linear solid model with in-plane surface interactions

DOE PAGES

Solares, Santiago D.

2016-04-15

Significant progress has been accomplished in the development of experimental contact-mode and dynamic-mode atomic force microscopy (AFM) methods designed to measure surface material properties. However, current methods are based on one-dimensional (1D) descriptions of the tip-sample interaction forces, thus neglecting the intricacies involved in the material behavior of complex samples (such as soft viscoelastic materials) as well as the differences in material response between the surface and the bulk. In order to begin to address this gap, a computational study is presented where the sample is simulated using an enhanced version of a recently introduced model that treats the surfacemore » as a collection of standard-linear-solid viscoelastic elements. The enhanced model introduces in-plane surface elastic forces that can be approximately related to a two-dimensional (2D) Young's modulus. Relevant cases are discussed for single-and multifrequency intermittent-contact AFM imaging, with focus on the calculated surface indentation profiles and tip-sample interaction force curves, as well as their implications with regards to experimental interpretation. A variety of phenomena are examined in detail, which highlight the need for further development of more physically accurate sample models that are specifically designed for AFM simulation. As a result, a multifrequency AFM simulation tool based on the above sample model is provided as supporting information.« less

Effects of Meteorological Variability on the Thermosphere-Ionosphere System during the Moderate Geomagnetic Disturbed January 2013 Period As Simulated By Time-GCM

NASA Astrophysics Data System (ADS)

Maute, A. I.; Hagan, M. E.; Richmond, A. D.; Liu, H.; Yudin, V. A.

2014-12-01

The ionosphere-thermosphere system is affected by solar and magnetospheric processes and by meteorological variability. Ionospheric observations of total electron content during the current solar cycle have shown that variability associated with meteorological forcing is important during solar minimum, and can have significant ionospheric effects during solar medium to maximum conditions. Numerical models can be used to study the comparative importance of geomagnetic and meterological forcing.This study focuses on the January 2013 Stratospheric Sudden Warming (SSW) period, which is associated with a very disturbed middle atmosphere as well as with moderately disturbed solar geomagntic conditions. We employ the NCAR Thermosphere-Ionosphere-Mesosphere-Electrodynamics General Circulation Model (TIME-GCM) with a nudging scheme using Whole-Atmosphere-Community-Climate-Model-Extended (WACCM-X)/Goddard Earth Observing System Model, Version 5 (GEOS5) results to simulate the effects of the meteorological and solar wind forcing on the upper atmosphere. The model results are evaluated by comparing with observations e.g., TEC, NmF2, ion drifts. We study the effect of the SSW on the wave spectrum, and the associated changes in the low latitude vertical drifts. These changes are compared to the impact of the moderate geomagnetic forcing on the TI-system during the January 2013 time period by conducting numerical experiments. We will present select highlights from our study and elude to the comparative importance of the forcing from above and below as simulated by the TIME-GCM.

Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field.

PubMed

Jamroz, Michal; Orozco, Modesto; Kolinski, Andrzej; Kmiecik, Sebastian

2013-01-08

It is widely recognized that atomistic Molecular Dynamics (MD), a classical simulation method, captures the essential physics of protein dynamics. That idea is supported by a theoretical study showing that various MD force-fields provide a consensus picture of protein fluctuations in aqueous solution [Rueda, M. et al. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 796-801]. However, atomistic MD cannot be applied to most biologically relevant processes due to its limitation to relatively short time scales. Much longer time scales can be accessed by properly designed coarse-grained models. We demonstrate that the aforementioned consensus view of protein dynamics from short (nanosecond) time scale MD simulations is fairly consistent with the dynamics of the coarse-grained protein model - the CABS model. The CABS model employs stochastic dynamics (a Monte Carlo method) and a knowledge-based force-field, which is not biased toward the native structure of a simulated protein. Since CABS-based dynamics allows for the simulation of entire folding (or multiple folding events) in a single run, integration of the CABS approach with all-atom MD promises a convenient (and computationally feasible) means for the long-time multiscale molecular modeling of protein systems with atomistic resolution.

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

Aerosol indirect effects -- general circulation model intercomparison and evaluation with satellite data

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

Quaas, Johannes; Ming, Yi; Menon, Surabi

2009-04-10

Aerosol indirect effects continue to constitute one of the most important uncertainties for anthropogenic climate perturbations. Within the international AEROCOM initiative, the representation of aerosol-cloud-radiation interactions in ten different general circulation models (GCMs) is evaluated using three satellite datasets. The focus is on stratiform liquid water clouds since most GCMs do not include ice nucleation effects, and none of the model explicitly parameterizes aerosol effects on convective clouds. We compute statistical relationships between aerosol optical depth (Ta) and various cloud and radiation quantities in a manner that is consistent between the models and the satellite data. It is found thatmore » the model-simulated influence of aerosols on cloud droplet number concentration (Nd) compares relatively well to the satellite data at least over the ocean. The relationship between Ta and liquid water path is simulated much too strongly by the models. It is shown that this is partly related to the representation of the second aerosol indirect effect in terms of autoconversion. A positive relationship between total cloud fraction (fcld) and Ta as found in the satellite data is simulated by the majority of the models, albeit less strongly than that in the satellite data in most of them. In a discussion of the hypotheses proposed in the literature to explain the satellite-derived strong fcld - Ta relationship, our results indicate that none can be identified as unique explanation. Relationships similar to the ones found in satellite data between Ta and cloud top temperature or outgoing long-wave radiation (OLR) are simulated by only a few GCMs. The GCMs that simulate a negative OLR - Ta relationship show a strong positive correlation between Ta and fcld The short-wave total aerosol radiative forcing as simulated by the GCMs is strongly influenced by the simulated anthropogenic fraction of Ta, and parameterisation assumptions such as a lower bound on Nd. Nevertheless, the strengths of the statistical relationships are good predictors for the aerosol forcings in the models. An estimate of the total short-wave aerosol forcing inferred from the combination of these predictors for the modelled forcings with the satellite-derived statistical relationships yields a global annual mean value of -1.5+-0.5 Wm-2. An alternative estimate obtained by scaling the simulated clear- and cloudy-sky forcings with estimates of anthropogenic Ta and satellite-retrieved Nd - Ta regression slopes, respectively, yields a global annual mean clear-sky (aerosol direct effect) estimate of -0.4+-0.2 Wm-2 and a cloudy-sky (aerosol indirect effect) estimate of -0.7+-0.5 Wm-2, with a total estimate of -1.2+-0.4 Wm-2.« less

Direct construction of mesoscopic models from microscopic simulations

NASA Astrophysics Data System (ADS)

Lei, Huan; Caswell, Bruce; Karniadakis, George Em

2010-02-01

Starting from microscopic molecular-dynamics (MD) simulations of constrained Lennard-Jones (LJ) clusters (with constant radius of gyration Rg ), we construct two mesoscopic models [Langevin dynamics and dissipative particle dynamics (DPD)] by coarse graining the LJ clusters into single particles. Both static and dynamic properties of the coarse-grained models are investigated and compared with the MD results. The effective mean force field is computed as a function of the intercluster distance, and the corresponding potential scales linearly with the number of particles per cluster and the temperature. We verify that the mean force field can reproduce the equation of state of the atomistic systems within a wide density range but the radial distribution function only within the dilute and the semidilute regime. The friction force coefficients for both models are computed directly from the time-correlation function of the random force field of the microscopic system. For high density or a large cluster size the friction force is overestimated and the diffusivity underestimated due to the omission of many-body effects as a result of the assumed pairwise form of the coarse-grained force field. When the many-body effect is not as pronounced (e.g., smaller Rg or semidilute system), the DPD model can reproduce the dynamic properties of the MD system.

Comparative study of Arctic sea ice response from NEMO-LIM3 to two different atmospheric forcings

NASA Astrophysics Data System (ADS)

Massonnet, Francois; Fichefet, Thierry; Goosse, Hugues; Mathiot, Pierre; König Beatty, Christof; Vancoppenolle, Martin

2010-05-01

Sea ice plays a key role within the climate system as it is, e.g., an efficient barrier to transfers of heat, mass and momentum between atmosphere and ocean. In order to simulate the observed sea ice state, global Ocean General Circulation Models (OGCMs) must benefit from good quality atmospheric forcings. NEMO-LIM3 is one of those OGCMs. This model results from the coupling of the sea ice model LIM3 with the ocean model OPA. So far, the NCEP/NCAR reanalysis dataset (2-m atmospheric temperatures and 10-m wind speeds) has been used jointly with monthly climatologies of relative humidity, cloudiness and precipitation to set up and calibrate NEMO-LIM3. Clear biases in model outputs have been tentatively attributed to this forcing. Here, we investigate the consequences of using the ERA-40-based DFS4 forcing on an ORCA1 configuration (1° resolution), with focus on the Arctic sea ice. Using an adequate metric, we measure the discrepancies between the simulations resulting from the respective forcings. A particular attention is paid to the sea ice features along Siberia at the beginning of the 80s, as previous NEMO-LIM3 runs with the NCEP/NCAR forcing exhibit a significant overestimation of ice extent in this area during this time period.

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.

Head and neck response of a finite element anthropomorphic test device and human body model during a simulated rotary-wing aircraft impact.

PubMed

White, Nicholas A; Danelson, Kerry A; Gayzik, F Scott; Stitzel, Joel D

2014-11-01

A finite element (FE) simulation environment has been developed to investigate aviator head and neck response during a simulated rotary-wing aircraft impact using both an FE anthropomorphic test device (ATD) and an FE human body model. The head and neck response of the ATD simulation was successfully validated against an experimental sled test. The majority of the head and neck transducer time histories received a CORrelation and analysis (CORA) rating of 0.7 or higher, indicating good overall correlation. The human body model simulation produced a more biofidelic head and neck response than the ATD experimental test and simulation, including change in neck curvature. While only the upper and lower neck loading can be measured in the ATD, the shear force, axial force, and bending moment were reported for each level of the cervical spine in the human body model using a novel technique involving cross sections. This loading distribution provides further insight into the biomechanical response of the neck during a rotary-wing aircraft impact.

Multiresolution modeling with a JMASS-JWARS HLA Federation

NASA Astrophysics Data System (ADS)

Prince, John D.; Painter, Ron D.; Pendell, Brian; Richert, Walt; Wolcott, Christopher

2002-07-01

CACI, Inc.-Federal has built, tested, and demonstrated the use of a JMASS-JWARS HLA Federation that supports multi- resolution modeling of a weapon system and its subsystems in a JMASS engineering and engagement model environment, while providing a realistic JWARS theater campaign-level synthetic battle space and operational context to assess the weapon system's value added and deployment/employment supportability in a multi-day, combined force-on-force scenario. Traditionally, acquisition analyses require a hierarchical suite of simulation models to address engineering, engagement, mission and theater/campaign measures of performance, measures of effectiveness and measures of merit. Configuring and running this suite of simulations and transferring the appropriate data between each model is both time consuming and error prone. The ideal solution would be a single simulation with the requisite resolution and fidelity to perform all four levels of acquisition analysis. However, current computer hardware technologies cannot deliver the runtime performance necessary to support the resulting extremely large simulation. One viable alternative is to integrate the current hierarchical suite of simulation models using the DoD's High Level Architecture in order to support multi- resolution modeling. An HLA integration eliminates the extremely large model problem, provides a well-defined and manageable mixed resolution simulation and minimizes VV&A issues.

Reentry aerodynamics forces and moments on the engine nozzle of the 146-inch solid rocket booster model 473 tested in MSFC 14 by 14 inch trisonic wind tunnel (SA30F)

NASA Technical Reports Server (NTRS)

Johnson, J. D.; Braddock, W. F.

1975-01-01

A test of a model of the Space Shuttle Solid Rocket Boosters (SRB's) was performed in a 14 x 14 inch Trisonic Wind Tunnel to determine the aerodynamic forces and moments imposed on the nozzle of the SRB during reentry. The model, with scale dimensions equal to 0.5479 of the actual SRB dimensions, was instrumented with a six-component force balance attached to the model nozzle so that only forces and moments acting on the nozzle were measured. A total of 137 runs (20 deg pitch polars) were performed during this test. The angle of attack ranged from 60 to 185 deg, the Reynolds number from 5.2 million to 7.6 million. The Mach numbers investigated were 1.96, 2.74, and 3.48. Five external protuberances were simulated. The effective roll angle simulated was 180 deg. The effects of three different heat shield configurations were investigated.

FE Simulation of Ultrasonic Back Extrusion

NASA Astrophysics Data System (ADS)

Rosochowska, Malgorzata; Rosochowski, Andrzej

2007-04-01

The main benefit of using ultrasonic vibrations in metal forming arises from the reduction in the mean forming force. In order to examine mechanisms responsible for this effect FE simulations of ultrasonic back extrusion using ABAQUS/Explicit were carried out. In two analysed models, vibration of frequency of 20 kHz was imposed on the punch. In the first model, the die and the punch were defined as rigid bodies and in the second, the punch was modelled as an elastic body, this being the innovative feature of the research. The punch vibrated in a longitudinal mode. Simulations were performed for amplitude of vibrations of 8.5μm and different punch velocities for both friction and frictionless conditions. Results showed that the amplitude and the mean forming force depended on the process velocity. Further, the decrease in the mean forming force might be partly explained by the reduction in the friction force due to changes in the direction and magnitude of the frictional stress over the vibration period. A lower deflection of the elastic punch under oscillatory conditions was observed, which was an indirect evidence of the reduced forming force. It was also observed that amplitude of vibrations at the working surface of the elastic punch was smaller than the applied one.

Reconstruction of piano hammer force from string velocity.

PubMed

Chaigne, Antoine

2016-11-01

A method is presented for reconstructing piano hammer forces through appropriate filtering of the measured string velocity. The filter design is based on the analysis of the pulses generated by the hammer blow and propagating along the string. In the five lowest octaves, the hammer force is reconstructed by considering two waves only: the incoming wave from the hammer and its first reflection at the front end. For the higher notes, four- or eight-wave schemes must be considered. The theory is validated on simulated string velocities by comparing imposed and reconstructed forces. The simulations are based on a nonlinear damped stiff string model previously developed by Chabassier, Chaigne, and Joly [J. Acoust. Soc. Am. 134(1), 648-665 (2013)]. The influence of absorption, dispersion, and amplitude of the string waves on the quality of the reconstruction is discussed. Finally, the method is applied to real piano strings. The measured string velocity is compared to the simulated velocity excited by the reconstructed force, showing a high degree of accuracy. A number of simulations are compared to simulated strings excited by a force derived from measurements of mass and acceleration of the hammer head. One application to an historic piano is also presented.

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

Using the PhysX engine for physics-based virtual surgery with force feedback.

PubMed

Maciel, Anderson; Halic, Tansel; Lu, Zhonghua; Nedel, Luciana P; De, Suvranu

2009-09-01

The development of modern surgical simulators is highly challenging, as they must support complex simulation environments. The demand for higher realism in such simulators has driven researchers to adopt physics-based models, which are computationally very demanding. This poses a major problem, since real-time interactions must permit graphical updates of 30 Hz and a much higher rate of 1 kHz for force feedback (haptics). Recently several physics engines have been developed which offer multi-physics simulation capabilities, including rigid and deformable bodies, cloth and fluids. While such physics engines provide unique opportunities for the development of surgical simulators, their higher latencies, compared to what is necessary for real-time graphics and haptics, offer significant barriers to their use in interactive simulation environments. In this work, we propose solutions to this problem and demonstrate how a multimodal surgical simulation environment may be developed based on NVIDIA's PhysX physics library. Hence, models that are undergoing relatively low-frequency updates in PhysX can exist in an environment that demands much higher frequency updates for haptics. We use a collision handling layer to interface between the physical response provided by PhysX and the haptic rendering device to provide both real-time tissue response and force feedback. Our simulator integrates a bimanual haptic interface for force feedback and per-pixel shaders for graphics realism in real time. To demonstrate the effectiveness of our approach, we present the simulation of the laparoscopic adjustable gastric banding (LAGB) procedure as a case study. To develop complex and realistic surgical trainers with realistic organ geometries and tissue properties demands stable physics-based deformation methods, which are not always compatible with the interaction level required for such trainers. We have shown that combining different modelling strategies for behaviour, collision and graphics is possible and desirable. Such multimodal environments enable suitable rates to simulate the major steps of the LAGB procedure.

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.

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.

Three phase heat and mass transfer model for unsaturated soil freezing process: Part 1 - model development

NASA Astrophysics Data System (ADS)

Xu, Fei; Zhang, Yaning; Jin, Guangri; Li, Bingxi; Kim, Yong-Song; Xie, Gongnan; Fu, Zhongbin

2018-04-01

A three-phase model capable of predicting the heat transfer and moisture migration for soil freezing process was developed based on the Shen-Chen model and the mechanisms of heat and mass transfer in unsaturated soil freezing. The pre-melted film was taken into consideration, and the relationship between film thickness and soil temperature was used to calculate the liquid water fraction in both frozen zone and freezing fringe. The force that causes the moisture migration was calculated by the sum of several interactive forces and the suction in the pre-melted film was regarded as an interactive force between ice and water. Two kinds of resistance were regarded as a kind of body force related to the water films between the ice grains and soil grains, and a block force instead of gravity was introduced to keep balance with gravity before soil freezing. Lattice Boltzmann method was used in the simulation, and the input variables for the simulation included the size of computational domain, obstacle fraction, liquid water fraction, air fraction and soil porosity. The model is capable of predicting the water content distribution along soil depth and variations in water content and temperature during soil freezing process.

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.

A motor unit-based model of muscle fatigue

PubMed Central

2017-01-01

Muscle fatigue is a temporary decline in the force and power capacity of skeletal muscle resulting from muscle activity. Because control of muscle is realized at the level of the motor unit (MU), it seems important to consider the physiological properties of motor units when attempting to understand and predict muscle fatigue. Therefore, we developed a phenomenological model of motor unit fatigue as a tractable means to predict muscle fatigue for a variety of tasks and to illustrate the individual contractile responses of MUs whose collective action determines the trajectory of changes in muscle force capacity during prolonged activity. An existing MU population model was used to simulate MU firing rates and isometric muscle forces and, to that model, we added fatigue-related changes in MU force, contraction time, and firing rate associated with sustained voluntary contractions. The model accurately estimated endurance times for sustained isometric contractions across a wide range of target levels. In addition, simulations were run for situations that have little experimental precedent to demonstrate the potential utility of the model to predict motor unit fatigue for more complicated, real-world applications. Moreover, the model provided insight into the complex orchestration of MU force contributions during fatigue, that would be unattainable with current experimental approaches. PMID:28574981

26th JANNAF Airbreathing Propulsion Subcommittee Meeting. Volume 1

NASA Technical Reports Server (NTRS)

Fry, Ronald S. (Editor); Gannaway, Mary T. (Editor)

2002-01-01

This volume, the first of four volumes, is a collection of 28 unclassified/unlimited-distribution papers which were presented at the Joint Army-Navy-NASA-Air Force (JANNAF) 26th Airbreathing Propulsion Subcommittee (APS) was held jointly with the 38th Combustion Subcommittee (CS), 20th Propulsion Systems Hazards Subcommittee (PSHS), and 2nd Modeling and Simulation Subcommittee. The meeting was held 8-12 April 2002 at the Bayside Inn at The Sandestin Golf & Beach Resort and Eglin Air Force Base, Destin, Florida. Topics covered include: scramjet and ramjet R&D program overviews; tactical propulsion; space access; NASA GTX status; PDE technology; actively cooled engine structures; modeling and simulation of complex hydrocarbon fuels and unsteady processes; and component modeling and simulation.

Study of hydrogen-molecule guests in type II clathrate hydrates using a force-matched potential model parameterised from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Burnham, Christian J.; Futera, Zdenek; English, Niall J.

2018-03-01

The force-matching method has been applied to parameterise an empirical potential model for water-water and water-hydrogen intermolecular interactions for use in clathrate-hydrate simulations containing hydrogen guest molecules. The underlying reference simulations constituted ab initio molecular dynamics (AIMD) of clathrate hydrates with various occupations of hydrogen-molecule guests. It is shown that the resultant model is able to reproduce AIMD-derived free-energy curves for the movement of a tagged hydrogen molecule between the water cages that make up the clathrate, thus giving us confidence in the model. Furthermore, with the aid of an umbrella-sampling algorithm, we calculate barrier heights for the force-matched model, yielding the free-energy barrier for a tagged molecule to move between cages. The barrier heights are reasonably large, being on the order of 30 kJ/mol, and are consistent with our previous studies with empirical models [C. J. Burnham and N. J. English, J. Phys. Chem. C 120, 16561 (2016) and C. J. Burnham et al., Phys. Chem. Chem. Phys. 19, 717 (2017)]. Our results are in opposition to the literature, which claims that this system may have very low barrier heights. We also compare results to that using the more ad hoc empirical model of Alavi et al. [J. Chem. Phys. 123, 024507 (2005)] and find that this model does very well when judged against the force-matched and ab initio simulation data.

Application of NARR-based NLDAS Ensemble Simulations to Continental-Scale Drought Monitoring

NASA Astrophysics Data System (ADS)

Alonge, C. J.; Cosgrove, B. A.

2008-05-01

Government estimates indicate that droughts cause billions of dollars of damage to agricultural interests each year. More effective identification of droughts would directly benefit decision makers, and would allow for the more efficient allocation of resources that might mitigate the event. Land data assimilation systems, with their high quality representations of soil moisture, present an ideal platform for drought monitoring, and offer many advantages over traditional modeling systems. The recently released North American Regional Reanalysis (NARR) covers the NLDAS domain and provides all fields necessary to force the NLDAS for 27 years. This presents an ideal opportunity to combine NARR and NLDAS resources into an effective real-time drought monitor. Toward this end, our project seeks to validate and explore the NARR's suitability as a base for drought monitoring applications - both in terms of data set length and accuracy. Along the same lines, the project will examine the impact of the use of different (longer) LDAS model climatologies on drought monitoring, and will explore the advantages of ensemble simulations versus single model simulations in drought monitoring activities. We also plan to produce a NARR- and observation-based high quality 27 year, 1/8th degree, 3-hourly, land surface and meteorological forcing data sets. An investigation of the best way to force an LDAS-type system will also be made, with traditional NLDAS and NLDASE forcing options explored. This presentation will focus on an overview of the drought monitoring project, and will include a summary of recent progress. Developments include the generation of forcing data sets, ensemble LSM output, and production of model-based drought indices over the entire NLDAS domain. Project forcing files use 32km NARR model output as a data backbone, and include observed precipitation (blended CPC gauge, PRISM gauge, Stage II, HPD, and CMORPH) and a GOES-based bias correction of downward solar radiation. Multiple LSM simulations have been conducted using the Noah, Mosaic, CLM3, HYSSiB, and Catchment LSMs. These simulations, along with the NARR-based forcing data form the basis for several drought indices. These include standard measures such as the Palmer-type indices, LDAS-type percentile and anomaly values, and CLM3-based vegetation condition index values.

Simulating Flying Insects Using Dynamics and Data-Driven Noise Modeling to Generate Diverse Collective Behaviors

PubMed Central

Ren, Jiaping; Wang, Xinjie; Manocha, Dinesh

2016-01-01

We present a biologically plausible dynamics model to simulate swarms of flying insects. Our formulation, which is based on biological conclusions and experimental observations, is designed to simulate large insect swarms of varying densities. We use a force-based model that captures different interactions between the insects and the environment and computes collision-free trajectories for each individual insect. Furthermore, we model the noise as a constructive force at the collective level and present a technique to generate noise-induced insect movements in a large swarm that are similar to those observed in real-world trajectories. We use a data-driven formulation that is based on pre-recorded insect trajectories. We also present a novel evaluation metric and a statistical validation approach that takes into account various characteristics of insect motions. In practice, the combination of Curl noise function with our dynamics model is used to generate realistic swarm simulations and emergent behaviors. We highlight its performance for simulating large flying swarms of midges, fruit fly, locusts and moths and demonstrate many collective behaviors, including aggregation, migration, phase transition, and escape responses. PMID:27187068

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.

The influence of atmospheric grid resolution in a climate model-forced ice sheet simulation

NASA Astrophysics Data System (ADS)

Lofverstrom, Marcus; Liakka, Johan

2018-04-01

Coupled climate-ice sheet simulations have been growing in popularity in recent years. Experiments of this type are however challenging as ice sheets evolve over multi-millennial timescales, which is beyond the practical integration limit of most Earth system models. A common method to increase model throughput is to trade resolution for computational efficiency (compromise accuracy for speed). Here we analyze how the resolution of an atmospheric general circulation model (AGCM) influences the simulation quality in a stand-alone ice sheet model. Four identical AGCM simulations of the Last Glacial Maximum (LGM) were run at different horizontal resolutions: T85 (1.4°), T42 (2.8°), T31 (3.8°), and T21 (5.6°). These simulations were subsequently used as forcing of an ice sheet model. While the T85 climate forcing reproduces the LGM ice sheets to a high accuracy, the intermediate resolution cases (T42 and T31) fail to build the Eurasian ice sheet. The T21 case fails in both Eurasia and North America. Sensitivity experiments using different surface mass balance parameterizations improve the simulations of the Eurasian ice sheet in the T42 case, but the compromise is a substantial ice buildup in Siberia. The T31 and T21 cases do not improve in the same way in Eurasia, though the latter simulates the continent-wide Laurentide ice sheet in North America. The difficulty to reproduce the LGM ice sheets in the T21 case is in broad agreement with previous studies using low-resolution atmospheric models, and is caused by a substantial deterioration of the model climate between the T31 and T21 resolutions. It is speculated that this deficiency may demonstrate a fundamental problem with using low-resolution atmospheric models in these types of experiments.

Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

PubMed

Lemkul, Justin A; MacKerell, Alexander D

2017-05-09

Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

Influence of Dissipative Particle Dynamics parameters and wall models on planar micro-channel flows

NASA Astrophysics Data System (ADS)

Wang, Yuyi; She, Jiangwei; Zhou, Zhe-Wei; microflow Group Team

2017-11-01

Dissipative Particle Dynamics (DPD) is a very effective approach in simulating mesoscale hydrodynamics. The influence of solid boundaries and DPD parameters are typically very strong in DPD simulations. The present work studies a micro-channel Poisseuille flow. Taking the neutron scattering experiment and molecular dynamics simulation result as bench mark, the DPD results of density distribution and velocity profile are systematically studied. The influence of different levels of coarse-graining, the number densities of wall and fluid, conservative force coefficients, random and dissipative force coefficients, different wall model and reflective boundary conditions are discussed. Some mechanisms behind such influences are discussed and the artifacts in the simulation are identified with the bench mark. Chinese natural science foundation (A020405).

Non-linear modelling and control of semi-active suspensions with variable damping

NASA Astrophysics Data System (ADS)

Chen, Huang; Long, Chen; Yuan, Chao-Chun; Jiang, Hao-Bin

2013-10-01

Electro-hydraulic dampers can provide variable damping force that is modulated by varying the command current; furthermore, they offer advantages such as lower power, rapid response, lower cost, and simple hardware. However, accurate characterisation of non-linear f-v properties in pre-yield and force saturation in post-yield is still required. Meanwhile, traditional linear or quarter vehicle models contain various non-linearities. The development of a multi-body dynamics model is very complex, and therefore, SIMPACK was used with suitable improvements for model development and numerical simulations. A semi-active suspension was built based on a belief-desire-intention (BDI)-agent model framework. Vehicle handling dynamics were analysed, and a co-simulation analysis was conducted in SIMPACK and MATLAB to evaluate the BDI-agent controller. The design effectively improved ride comfort, handling stability, and driving safety. A rapid control prototype was built based on dSPACE to conduct a real vehicle test. The test and simulation results were consistent, which verified the simulation.

Dynamic pore-scale network model (PNM) of water imbibition in porous media

NASA Astrophysics Data System (ADS)

Li, J.; McDougall, S. R.; Sorbie, K. S.

2017-09-01

A dynamic pore-scale network model is presented which simulates 2-phase oil/water displacement during water imbibition by explicitly modelling intra-pore dynamic bulk and film flows using a simple local model. A new dynamic switching parameter, λ, is proposed within this model which is able to simulate the competition between local capillary forces and viscous forces over a very wide range of flow conditions. This quantity (λ) determines the primary pore filling mechanism during imbibition; i.e. whether the dominant force is (i) piston-like displacement under viscous forces, (ii) film swelling/collapse and snap-off due to capillary forces, or (iii) some intermediate local combination of both mechanisms. A series of 2D dynamic pore network simulations is presented which shows that the λ-model can satisfactorily reproduce and explain different filling regimes of water imbibition over a wide range of capillary numbers (Ca) and viscosity ratios (M). These imbibition regimes are more complex than those presented under drainage by (Lenormand et al. (1983)), since they are determined by a wider group of control parameters. Our simulations show that there is a coupling between viscous and capillary forces that is much less important in drainage. The effects of viscosity ratio during imbibition are apparent even under conditions of very slow flow (low Ca)-displacements that would normally be expected to be completely capillary dominated. This occurs as a result of the wetting films having a much greater relative mobility in the higher M cases (e.g. M = 10) thus leading to a higher level of film swelling/snap-off, resulting in local oil cluster bypassing and trapping, and hence a poorer oil recovery. This deeper coupled viscous mechanism is the underlying reason why the microscopic displacement efficiency is lower for higher M cases in water imbibition processes. Additional results are presented from the dynamic model on the corresponding effluent fractional flows (fw) and global pressure drops (ΔP) as functions of capillary number and viscosity ratio. These results indicate that unsteady-state (USS) relatively permeabilities in imbibition should be inherently rate dependent.

Regularity Aspects in Inverse Musculoskeletal Biomechanics

NASA Astrophysics Data System (ADS)

Lund, Marie; Stâhl, Fredrik; Gulliksson, Mârten

2008-09-01

Inverse simulations of musculoskeletal models computes the internal forces such as muscle and joint reaction forces, which are hard to measure, using the more easily measured motion and external forces as input data. Because of the difficulties of measuring muscle forces and joint reactions, simulations are hard to validate. One way of reducing errors for the simulations is to ensure that the mathematical problem is well-posed. This paper presents a study of regularity aspects for an inverse simulation method, often called forward dynamics or dynamical optimization, that takes into account both measurement errors and muscle dynamics. Regularity is examined for a test problem around the optimum using the approximated quadratic problem. The results shows improved rank by including a regularization term in the objective that handles the mechanical over-determinancy. Using the 3-element Hill muscle model the chosen regularization term is the norm of the activation. To make the problem full-rank only the excitation bounds should be included in the constraints. However, this results in small negative values of the activation which indicates that muscles are pushing and not pulling, which is unrealistic but the error maybe small enough to be accepted for specific applications. These results are a start to ensure better results of inverse musculoskeletal simulations from a numerical point of view.

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

Force-extension behavior of DNA in the presence of DNA-bending nucleoid associated proteins

NASA Astrophysics Data System (ADS)

Dahlke, K.; Sing, C. E.

2018-02-01

Interactions between nucleoid associated proteins (NAPs) and DNA affect DNA polymer conformation, leading to phenomena such as concentration dependent force-extension behavior. These effects, in turn, also impact the local binding behavior of the protein, such as high forces causing proteins to unbind, or proteins binding favorably to locally bent DNA. We develop a coarse-grained NAP-DNA simulation model that incorporates both force- and concentration-dependent behaviors, in order to study the interplay between NAP binding and DNA conformation. This model system includes multi-state protein binding and unbinding, motivated by prior work, but is now dependent on the local structure of the DNA, which is related to external forces acting on the DNA strand. We observe the expected qualitative binding behavior, where more proteins are bound at lower forces than at higher forces. Our model also includes NAP-induced DNA bending, which affects DNA elasticity. We see semi-quantitative matching of our simulated force-extension behavior to the reported experimental data. By using a coarse-grained simulation, we are also able to look at non-equilibrium behaviors, such as dynamic extension of a DNA strand. We stretch a DNA strand at different rates and at different NAP concentrations to observe how the time scales of the system (such as pulling time and unbinding time) work in concert. When these time scales are similar, we observe measurable rate-dependent changes in the system, which include the number of proteins bound and the force required to extend the DNA molecule. This suggests that the relative time scales of different dynamic processes play an important role in the behavior of NAP-DNA systems.

EVALUATION OF THE AGDISP AERIAL SPRAY ALGORITHMS IN THE AGDRIFT MODEL

EPA Science Inventory

A systematic evaluation of the AgDISP algorithms, which simulate off-site drift and deposition of aerially applied pesticides, contained in the AgDRIFT model was performed by comparing model simulations to field-trial data collected by the Spray Drift Task Force. Field-trial data...

A phenomenological continuum model for force-driven nano-channel liquid flows

NASA Astrophysics Data System (ADS)

Ghorbanian, Jafar; Celebi, Alper T.; Beskok, Ali

2016-11-01

A phenomenological continuum model is developed using systematic molecular dynamics (MD) simulations of force-driven liquid argon flows confined in gold nano-channels at a fixed thermodynamic state. Well known density layering near the walls leads to the definition of an effective channel height and a density deficit parameter. While the former defines the slip-plane, the latter parameter relates channel averaged density with the desired thermodynamic state value. Definitions of these new parameters require a single MD simulation performed for a specific liquid-solid pair at the desired thermodynamic state and used for calibration of model parameters. Combined with our observations of constant slip-length and kinematic viscosity, the model accurately predicts the velocity distribution and volumetric and mass flow rates for force-driven liquid flows in different height nano-channels. Model is verified for liquid argon flow at distinct thermodynamic states and using various argon-gold interaction strengths. Further verification is performed for water flow in silica and gold nano-channels, exhibiting slip lengths of 1.2 nm and 15.5 nm, respectively. Excellent agreements between the model and the MD simulations are reported for channel heights as small as 3 nm for various liquid-solid pairs.

Perspectives on continuum flow models for force-driven nano-channel liquid flows

NASA Astrophysics Data System (ADS)

Beskok, Ali; Ghorbanian, Jafar; Celebi, Alper

2017-11-01

A phenomenological continuum model is developed using systematic molecular dynamics (MD) simulations of force-driven liquid argon flows confined in gold nano-channels at a fixed thermodynamic state. Well known density layering near the walls leads to the definition of an effective channel height and a density deficit parameter. While the former defines the slip-plane, the latter parameter relates channel averaged density with the desired thermodynamic state value. Definitions of these new parameters require a single MD simulation performed for a specific liquid-solid pair at the desired thermodynamic state and used for calibration of model parameters. Combined with our observations of constant slip-length and kinematic viscosity, the model accurately predicts the velocity distribution and volumetric and mass flow rates for force-driven liquid flows in different height nano-channels. Model is verified for liquid argon flow at distinct thermodynamic states and using various argon-gold interaction strengths. Further verification is performed for water flow in silica and gold nano-channels, exhibiting slip lengths of 1.2 nm and 15.5 nm, respectively. Excellent agreements between the model and the MD simulations are reported for channel heights as small as 3 nm for various liquid-solid pairs.

Comprehensive modelling and simulation of cylindrical nanoparticles manipulation by using a virtual reality environment.

PubMed

Korayem, Moharam Habibnejad; Hoshiar, Ali Kafash; Ghofrani, Maedeh

2017-08-01

With the expansion of nanotechnology, robots based on atomic force microscope (AFM) have been widely used as effective tools for displacing nanoparticles and constructing nanostructures. One of the most limiting factors in AFM-based manipulation procedures is the inability of simultaneously observing the controlled pushing and displacing of nanoparticles while performing the operation. To deal with this limitation, a virtual reality environment has been used in this paper for observing the manipulation operation. In the simulations performed in this paper, first, the images acquired by the atomic force microscope have been processed and the positions and dimensions of nanoparticles have been determined. Then, by dynamically modelling the transfer of nanoparticles and simulating the critical force-time diagrams, a controlled displacement of nanoparticles has been accomplished. The simulations have been further developed for the use of rectangular, V-shape and dagger-shape cantilevers. The established virtual reality environment has made it possible to simulate the manipulation of biological particles in a liquid medium. Copyright © 2017 Elsevier Inc. All rights reserved.

Cross-sectional neck response of a total human body FE model during simulated frontal and side automobile impacts.

PubMed

White, Nicholas A; Moreno, Daniel P; Gayzik, F Scott; Stitzel, Joel D

2015-01-01

Human body finite element (FE) models are beginning to play a more prevalent role in the advancement of automotive safety. A methodology has been developed to evaluate neck response at multiple levels in a human body FE model during simulated automotive impacts. Three different impact scenarios were simulated: a frontal impact of a belted driver with airbag deployment, a frontal impact of a belted passenger without airbag deployment and an unbelted side impact sled test. Cross sections were created at each vertebral level of the cervical spine to calculate the force and moment contributions of different anatomical components of the neck. Adjacent level axial force ratios varied between 0.74 and 1.11 and adjacent level bending moment ratios between 0.55 and 1.15. The present technique is ideal for comparing neck forces and moments to existing injury threshold values, calculating injury criteria and for better understanding the biomechanical mechanisms of neck injury and load sharing during sub-injurious and injurious loading.

A high-resolution OGCM simulation of the Tropical Pacific Ocean during the 1985-1994 TOGA period. Part I: Long equatorial waves

NASA Technical Reports Server (NTRS)

Boulanger, J. P.; Delecluse, F.; Maes, C.; Levy, C.

1995-01-01

A high resolution oceanic general circulation model of the three topical oceans is used to investigate long equatorial wave activity in the Pacific Ocean during the 1985-1994 TOGA period. Zonal wind stress forcing and simulated dynamic height are interpreted using techniques previously applied to data. Kelvin and first Rossby waves are observed propagating during all the period. A seasonal cycle and interannual anomalies are computed for each long equatorial wave. The east Pacific basin is mainly dominated by seasonal cycle variations while strong interannual anomalies are observed west of the dateline. Long wave interannual anomalies are then compared to wave coefficients simulated by a simple wind-forced model. Our results outline the major role played by wind forcing on interannual time scales in generating long equatorial waves. However, near both eastern and western boundaries, some differences can be attributed to long wave reflections. A comparison to wave coefficients calculated from GEOSAT sea-level data gives some insight of the model behavior.

A single particle model to simulate the dynamics of entangled polymer melts.

PubMed

Kindt, P; Briels, W J

2007-10-07

We present a computer simulation model of polymer melts representing each chain as one single particle. Besides the position coordinate of each particle, we introduce a parameter n(ij) for each pair of particles i and j within a specified distance from each other. These numbers, called entanglement numbers, describe the deviation of the system of ignored coordinates from its equilibrium state for the given configuration of the centers of mass of the polymers. The deviations of the entanglement numbers from their equilibrium values give rise to transient forces, which, together with the conservative forces derived from the potential of mean force, govern the displacements of the particles. We have applied our model to a melt of C(800)H(1602) chains at 450 K and have found good agreement with experiments and more detailed simulations. Properties addressed in this paper are radial distribution functions, dynamic structure factors, and linear as well as nonlinear rheological properties.

A mathematical simulation model of the CH-47B helicopter, volume 1

NASA Technical Reports Server (NTRS)

Weber, J. M.; Liu, T. Y.; Chung, W.

1984-01-01

A nonlinear simulation model of the CH-47B helicopter was adapted for use in the NASA Ames Research Center (ARC) simulation facility. The model represents the specific configuration of the ARC variable stability CH-47B helicopter and will be used in ground simulation research and to expedite and verify flight experiment design. Modeling of the helicopter uses a total force approach in six rigid body degrees of freedom. Rotor dynamics are simulated using the Wheatlely-Bailey equations including steady-state flapping dynamics. Also included in the model is the option for simulation of external suspension, slung-load equations of motion.

Simulation Components

DTIC Science & Technology

2006-09-01

groupings such as mathematical , 3-dimensional and process models. Furthermore, one must remain aware of the potential to use or reuse models (or...semi-autonomous forces (SAF), intelligent forces (IFOR), command forces (CFOR), command agents (CA) and many more like terms. One way of looking at...the effective use of SEs within Europe. One element of the SEDEP is the use of generalised wording and definitions so as to not be solely dedicated

Analysis and Modeling of the Arctic Oscillation Using a Simple Barotropic Model with Baroclinic Eddy Forcing.

NASA Astrophysics Data System (ADS)

Tanaka, H. L.

2003-06-01

In this study, a numerical simulation of the Arctic Oscillation (AO) is conducted using a simple barotropic model that considers the barotropic-baroclinic interactions as the external forcing. The model is referred to as a barotropic S model since the external forcing is obtained statistically from the long-term historical data, solving an inverse problem. The barotropic S model has been integrated for 51 years under a perpetual January condition and the dominant empirical orthogonal function (EOF) modes in the model have been analyzed. The results are compared with the EOF analysis of the barotropic component of the real atmosphere based on the daily NCEP-NCAR reanalysis for 50 yr from 1950 to 1999.According to the result, the first EOF of the model atmosphere appears to be the AO similar to the observation. The annular structure of the AO and the two centers of action at Pacific and Atlantic are simulated nicely by the barotropic S model. Therefore, the atmospheric low-frequency variabilities have been captured satisfactorily even by the simple barotropic model.The EOF analysis is further conducted to the external forcing of the barotropic S model. The structure of the dominant forcing shows the characteristics of synoptic-scale disturbances of zonal wavenumber 6 along the Pacific storm track. The forcing is induced by the barotropic-baroclinic interactions associated with baroclinic instability.The result suggests that the AO can be understood as the natural variability of the barotropic component of the atmosphere induced by the inherent barotropic dynamics, which is forced by the barotropic-baroclinic interactions. The fluctuating upscale energy cascade from planetary waves and synoptic disturbances to the zonal motion plays the key role for the excitation of the AO.

The Role of Ocean Eddies in the Southern Ocean Response to Observed Greenhouse Gas Forcing

NASA Astrophysics Data System (ADS)

Bilgen, S. I.; Kirtman, B. P.

2017-12-01

The Southern Ocean (SO) is crucial to understanding the possible future response to a changing climate. This is a principal region where energy is conveyed to the ocean by the westerly winds and it is here that mesoscale ocean eddies field dominate meridional heat and momentum transport. Compared to the Arctic, the Antarctic and the surrounding SO have a "delayed warming" anthropogenic greenhouse gas (GHG) response. Understanding the role of the ocean dynamics in modulating the mesoscale atmosphere-ocean interactions in the SO in a fully coupled regime is crucial to efforts aimed at predicting the consequences of the warming and variability to the climate system. The response of model run at multiple resolutions (eddy permitting, eddy resolving) to both GHG forcing and historical forcing are examined in NCAR CCSM4 with four experiments. The first simulation, 0.5° atmosphere coupled to ocean and sea ice components with 1° resolution (LR). The second simulation uses the identical atmospheric model but coupled to 0.1° ocean and sea ice component models (HR). For the third and fourth experiments, the global ocean is simulated for LR an HR models, and a climate change scenario are produced by applying a fixed (present-day) CO2 concentration. The analysis focuses on the last 55 years of two individual 155 year simulations. We discuss results from a set of state-of-art model experiments in comparison with observational estimates and explore mechanisms by examining sea surface temperature, westerly winds, surface heat flux, ocean heat transport. In LR simulations, the patterns and mechanisms of SO changes under GHG forcing are similar to those over the historical period: warming is damped southward of the ACC and enhanced to the north, however major changes between the HR simulations are explored. We find that in recent decades the Southern Annual Mode has shown a distinct upward trend, the result of an anthropogenic global warming. Also, HR simulations show that strengthening of the SAM and associated surface wind stress have been invoked to posit enhancement in the strength of the upwelling of the MOC, and increases eddy activity of the ACC. The results also indicate that eddy-permitting models are not able to capture the eddy-driven SST response since ocean dynamics is playing crucial role in the HR simulation but not in the LR models.

Model Sensitivity to North Atlantic Freshwater Forcing at 8.2 Ka

NASA Technical Reports Server (NTRS)

Morrill, Carrie; Legrande, Allegra Nicole; Renssen, H.; Bakker, P.; Otto-Bliesner, B. L.

2013-01-01

We compared four simulations of the 8.2 ka event to assess climate model sensitivity and skill in responding to North Atlantic freshwater perturbations. All of the simulations used the same freshwater forcing, 2.5 Sv for one year, applied to either the Hudson Bay (northeastern Canada) or Labrador Sea (between Canada's Labrador coast and Greenland). This freshwater pulse induced a decadal-mean slowdown of 10-25%in the Atlantic Meridional Overturning Circulation (AMOC) of the models and caused a large-scale pattern of climate anomalies that matched proxy evidence for cooling in the Northern Hemisphere and a southward shift of the Intertropical Convergence Zone. The multi-model ensemble generated temperature anomalies that were just half as large as those from quantitative proxy reconstructions, however. Also, the duration of AMOC and climate anomalies in three of the simulations was only several decades, significantly shorter than the duration of approx.150 yr in the paleoclimate record. Possible reasons for these discrepancies include incorrect representation of the early Holocene climate and ocean state in the North Atlantic and uncertainties in the freshwater forcing estimates.

Solar Sail Spaceflight Simulation

NASA Technical Reports Server (NTRS)

Lisano, Michael; Evans, James; Ellis, Jordan; Schimmels, John; Roberts, Timothy; Rios-Reyes, Leonel; Scheeres, Daniel; Bladt, Jeff; Lawrence, Dale; Piggott, Scott

2007-01-01

The Solar Sail Spaceflight Simulation Software (S5) toolkit provides solar-sail designers with an integrated environment for designing optimal solar-sail trajectories, and then studying the attitude dynamics/control, navigation, and trajectory control/correction of sails during realistic mission simulations. Unique features include a high-fidelity solar radiation pressure model suitable for arbitrarily-shaped solar sails, a solar-sail trajectory optimizer, capability to develop solar-sail navigation filter simulations, solar-sail attitude control models, and solar-sail high-fidelity force models.

Using Hand Grip Force as a Correlate of Longitudinal Acceleration Comfort for Rapid Transit Trains

PubMed Central

Guo, Beiyuan; Gan, Weide; Fang, Weining

2015-01-01

Longitudinal acceleration comfort is one of the essential metrics used to evaluate the ride comfort of train. The aim of this study was to investigate the effectiveness of using hand grip force as a correlate of longitudinal acceleration comfort of rapid transit trains. In the paper, a motion simulation system was set up and a two-stage experiment was designed to investigate the role of the grip force on the longitudinal comfort of rapid transit trains. The results of the experiment show that the incremental grip force was linearly correlated with the longitudinal acceleration value, while the incremental grip force had no correlation with the direction of the longitudinal acceleration vector. The results also show that the effects of incremental grip force and acceleration duration on the longitudinal comfort of rapid transit trains were significant. Based on multiple regression analysis, a step function model was established to predict the longitudinal comfort of rapid transit trains using the incremental grip force and the acceleration duration. The feasibility and practicably of the model was verified by a field test. Furthermore, a comparative analysis shows that the motion simulation system and the grip force based model were valid to support the laboratory studies on the longitudinal comfort of rapid transit trains. PMID:26147730

Six-axis orthodontic force and moment sensing system for dentist technique training.

PubMed

Midorikawa, Yoshiyuki; Takemura, Hiroshi; Mizoguchi, Hiroshi; Soga, Kohei; Kamimura, Masao; Suga, Kazuhiro; Wei-Jen Lai; Kanno, Zuisei; Uo, Motohiro

2016-08-01

The purpose of this study is to develop a sensing system device that measures three-axis orthodontic forces and three-axis orthodontic moments for dentist training. The developed sensing system is composed of six-axis force sensors, action sticks, sliders, and tooth models. The developed system also simulates various types of tooth row shape patterns in orthodontic operations, and measures a 14 × 6 axis orthodontic force and moment from tooth models simultaneously. The average force and moment error per loaded axis were 2.06 % and 2.00 %, respectively.

Simulation-Based Joint Estimation of Body Deformation and Elasticity Parameters for Medical Image Analysis

PubMed Central

Foskey, Mark; Niethammer, Marc; Krajcevski, Pavel; Lin, Ming C.

2014-01-01

Estimation of tissue stiffness is an important means of noninvasive cancer detection. Existing elasticity reconstruction methods usually depend on a dense displacement field (inferred from ultrasound or MR images) and known external forces. Many imaging modalities, however, cannot provide details within an organ and therefore cannot provide such a displacement field. Furthermore, force exertion and measurement can be difficult for some internal organs, making boundary forces another missing parameter. We propose a general method for estimating elasticity and boundary forces automatically using an iterative optimization framework, given the desired (target) output surface. During the optimization, the input model is deformed by the simulator, and an objective function based on the distance between the deformed surface and the target surface is minimized numerically. The optimization framework does not depend on a particular simulation method and is therefore suitable for different physical models. We show a positive correlation between clinical prostate cancer stage (a clinical measure of severity) and the recovered elasticity of the organ. Since the surface correspondence is established, our method also provides a non-rigid image registration, where the quality of the deformation fields is guaranteed, as they are computed using a physics-based simulation. PMID:22893381

Characterizing observed circulation patterns within a bay using HF radar and numerical model simulations

NASA Astrophysics Data System (ADS)

O'Donncha, Fearghal; Hartnett, Michael; Nash, Stephen; Ren, Lei; Ragnoli, Emanuele

2015-02-01

In this study, High Frequency Radar (HFR), observations in conjunction with numerical model simulations investigate surface flow dynamics in a tidally-active, wind-driven bay; Galway Bay situated on the West coast of Ireland. Comparisons against ADCP sensor data permit an independent assessment of HFR and model performance, respectively. Results show root-mean-square (rms) differences in the range 10 - 12cm/s while model rms equalled 12 - 14cm/s. Subsequent analysis focus on a detailed comparison of HFR and model output. Harmonic analysis decompose both sets of surface currents based on distinct flow process, enabling a correlation analysis between the resultant output and dominant forcing parameters. Comparisons of barotropic model simulations and HFR tidal signal demonstrate consistently high agreement, particularly of the dominant M2 tidal signal. Analysis of residual flows demonstrate considerably poorer agreement, with the model failing to replicate complex flows. A number of hypotheses explaining this discrepancy are discussed, namely: discrepancies between regional-scale, coastal-ocean models and globally-influenced bay-scale dynamics; model uncertainties arising from highly-variable wind-driven flows across alarge body of water forced by point measurements of wind vectors; and the high dependence of model simulations on empirical wind-stress coefficients. The research demonstrates that an advanced, widely-used hydro-environmental model does not accurately reproduce aspects of surface flow processes, particularly with regards wind forcing. Considering the significance of surface boundary conditions in both coastal and open ocean dynamics, the viability of using a systematic analysis of results to improve model predictions is discussed.

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.

Comparison Study of Three Different Image Reconstruction Algorithms for MAT-MI

PubMed Central

Xia, Rongmin; Li, Xu

2010-01-01

We report a theoretical study on magnetoacoustic tomography with magnetic induction (MAT-MI). According to the description of signal generation mechanism using Green’s function, the acoustic dipole model was proposed to describe acoustic source excited by the Lorentz force. Using Green’s function, three kinds of reconstruction algorithms based on different models of acoustic source (potential energy, vectored acoustic pressure, and divergence of Lorenz force) are deduced and compared, and corresponding numerical simulations were conducted to compare these three kinds of reconstruction algorithms. The computer simulation results indicate that the potential energy method and vectored pressure method can directly reconstruct the Lorentz force distribution and give a more accurate reconstruction of electrical conductivity. PMID:19846363

Constraint Force Equation Methodology for Modeling Multi-Body Stage Separation Dynamics

NASA Technical Reports Server (NTRS)

Toniolo, Matthew D.; Tartabini, Paul V.; Pamadi, Bandu N.; Hotchko, Nathaniel

2008-01-01

This paper discusses a generalized approach to the multi-body separation problems in a launch vehicle staging environment based on constraint force methodology and its implementation into the Program to Optimize Simulated Trajectories II (POST2), a widely used trajectory design and optimization tool. This development facilitates the inclusion of stage separation analysis into POST2 for seamless end-to-end simulations of launch vehicle trajectories, thus simplifying the overall implementation and providing a range of modeling and optimization capabilities that are standard features in POST2. Analysis and results are presented for two test cases that validate the constraint force equation methodology in a stand-alone mode and its implementation in POST2.

Finite Element Analysis of Patient-Specific Mitral Valve with Mitral Regurgitation.

PubMed

Pham, Thuy; Kong, Fanwei; Martin, Caitlin; Wang, Qian; Primiano, Charles; McKay, Raymond; Elefteriades, John; Sun, Wei

2017-03-01

Functional mitral regurgitation (FMR) is a significant complication of left ventricular dysfunction and strongly associated with a poor prognosis. In this study, we developed a patient-specific finite element (FE) model of the mitral apparatus in a FMR patient which included: both leaflets with thickness, annulus, chordae tendineae, and chordae insertions on the leaflets and origins on the papillary muscles. The FE model incorporated human age- and gender-matched anisotropic hyperelastic material properties, and MV closure at systole was simulated. The model was validated by comparing the FE results from valve closure simulation with the in vivo geometry of the MV at systole. It was found that the FE model could not replicate the in vivo MV geometry without the application of tethering pre-tension force in the chordae at diastole. Upon applying the pre-tension force and performing model optimization by adjusting the chordal length, position, and leaflet length, a good agreement between the FE model and the in vivo model was established. Not only were the chordal forces high at both diastole and systole, but the tethering force on the anterior papillary muscle was higher than that of the posterior papillary muscle, which resulted in an asymmetrical gap with a larger orifice area at the anterolateral commissure resulting in MR. The analyses further show that high peak stress and strain were found at the chordal insertions where large chordal tethering forces were found. This study shows that the pre-tension tethering force plays an important role in accurately simulating the MV dynamics in this FMR patient, particularly in quantifying the degree of leaflet coaptation and stress distribution. Due to the complexity of the disease, the patient-specific computational modeling procedure of FMR patients presented should be further evaluated using a large patient cohort. However, this study provides useful insights into the MV biomechanics of a FMR patient, and could serve as a tool to assist in pre-operative planning for MV repair or replacement surgical or interventional procedures.

Investigation of dynamic characteristics of a rotor system with surface coatings

NASA Astrophysics Data System (ADS)

Yang, Yang; Cao, Dengqing; Wang, Deyou

2017-02-01

A Jeffcott rotor system with surface coatings capable of describing the mechanical vibration resulting from unbalance and rub-impact is formulated in this article. A contact force model proposed recently to describe the impact force between the disc and casing with coatings is employed to do the dynamic analysis for the rotor system with rubbing fault. Due to the variation of penetration, the contact force model is correspondingly modified. Meanwhile, the Coulomb friction model is applied to simulate the friction characteristics. Then, the case study of rub-impact with surface coatings is simulated by the Runge-Kutta method, in which a linear interpolation method is adopted to predict the rubbing instant. Moreover, the dynamic characteristics of the rotor system with surface coatings are analyzed in terms of bifurcation plot, waveform, whirl orbit, Poincaré map and spectrum plot. And the effects of the hardness of surface coatings on the response are investigated as well. Finally, compared with the classical models, the modified contact force model is shown to be more suitable to solve the rub-impact of aero-engine with surface coatings.

GPU-based Green’s function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models

NASA Astrophysics Data System (ADS)

Yang, Yiqun; Urban, Matthew W.; McGough, Robert J.

2018-05-01

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green’s functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green’s function approach are ideally suited for high-performance GPUs.

Summary of a Modeling and Simulation Framework for High-Fidelity Weapon Models in Joint Semi-Automated Forces (JSAF) and Other Mission-Simulation Software

DTIC Science & Technology

2008-05-01

communicate with other weapon models In a mission-level simulation; (3) introduces the four configuration levels of the M&S framework; and (4) presents a cost ...and Disadvantages ....................................................................... 26 6 COST -EFFECTIVE M&S LABORATORY PLAN...25 23 Weapon Model Sample Time and Average TET Displayed on the Target PC ..... 26 24 Design and Cost of an

Impact of external forcing on simulated hydroclimate from interannual to multicentennial timescales

NASA Astrophysics Data System (ADS)

Roldán, Pedro; Fidel González-Rouco, Jesús; Melo-Aguilar, Camilo

2017-04-01

During the last millennium, external forcing experienced important changes in different timescales. It has been demostrated that these changes had an impact on climate. In particular, changes in solar activity, volcanic eruptions and emissions of greenhouse gases are related to short-term and long-term changes in global temperatures, with situations of higher total external forcing generally related with higher global and hemispherical temperatures, and conversely with situations of lower forcing. This connection is clearly observed in climate simulations from different models and in proxy-based reconstructions. The changes in external forcing can also explain certain changes in atmospheric dynamics and hydroclimate, although in this case it is in general more difficult to trace causality arguments. Analyses based on simulations from two different models (ECHO-G and CESM-LME) have been performed, to assess the impact of external forcing on climate in timescales ranging from interannual to multicentennial. Various climatic variables have been analysed, including temperature, sea level pressure, surface wind, precipitation and soil moisture. For interannual timescales, composites have been defined with the years before and after the main volcanic eruptions of the last millennium as well as the minima of solar activity during this period. For longer timescales, a Principal Component analysis has been performed, to try to separate the signal of external forcing from that of internal variability. This has been done for the whole millennium and for the pre-industrial period, to assess the difference between natural and anthropogenic forcing. For multicentennial timescales, composites for the Medieval Climate Anomaly (MCA; ca. 950-1250), the Little Ice Age (LIA; ca. 1450-1850) and the 20th Century have been compared. These three periods were respectively characterised by higher, lower and higher forcing. This allows to assess the contribution of external forcing to the evolution of climate over longer time intervals. These analyses have shown that external forcing is an important factor in the evolution of the simulated hydroclimate of the last millennium. In the short-term, it has been observed that volcanic eruptions and other situations of extreme forcing significantly alter the global precipitation in the subsequent years. In the long-term, variations of external forcing can be related to changes in atmospheric dynamics and in hydroclimate. However, this impact is not homogeneously distributed. There are areas where hydroclimate is mainly influenced by the external forcing and other areas more influenced by internal variability, with spatial decorrelation being higher in precipitation or drought related variables than in temperature. The regional sensitivity to external forcing of hydroclimate is model and, to a lesser degree, simulation dependent.

Prediction of muscle activation for an eye movement with finite element modeling.

PubMed

Karami, Abbas; Eghtesad, Mohammad; Haghpanah, Seyyed Arash

2017-10-01

In this paper, a 3D finite element (FE) modeling is employed in order to predict extraocular muscles' activation and investigate force coordination in various motions of the eye orbit. A continuum constitutive hyperelastic model is employed for material description in dynamic modeling of the extraocular muscles (EOMs). Two significant features of this model are accurate mass modeling with FE method and stimulating EOMs for motion through muscle activation parameter. In order to validate the eye model, a forward dynamics simulation of the eye motion is carried out by variation of the muscle activation. Furthermore, to realize muscle activation prediction in various eye motions, two different tracking-based inverse controllers are proposed. The performance of these two inverse controllers is investigated according to their resulted muscle force magnitude and muscle force coordination. The simulation results are compared with the available experimental data and the well-known existing neurological laws. The comparison authenticates both the validation and the prediction results. Copyright © 2017 Elsevier Ltd. All rights reserved.

The influence of track modelling options on the simulation of rail vehicle dynamics

NASA Astrophysics Data System (ADS)

Di Gialleonardo, Egidio; Braghin, Francesco; Bruni, Stefano

2012-09-01

This paper investigates the effect of different models for track flexibility on the simulation of railway vehicle running dynamics on tangent and curved track. To this end, a multi-body model of the rail vehicle is defined including track flexibility effects on three levels of detail: a perfectly rigid pair of rails, a sectional track model and a three-dimensional finite element track model. The influence of the track model on the calculation of the nonlinear critical speed is pointed out and it is shown that neglecting the effect of track flexibility results in an overestimation of the critical speed by more than 10%. Vehicle response to stochastic excitation from track irregularity is also investigated, analysing the effect of track flexibility models on the vertical and lateral wheel-rail contact forces. Finally, the effect of the track model on the calculation of dynamic forces produced by wheel out-of-roundness is analysed, showing that peak dynamic loads are very sensitive to the track model used in the simulation.

Change in knee contact force with simulated change in body weight.

PubMed

Knarr, Brian A; Higginson, Jill S; Zeni, Joseph A

2016-02-01

The relationship between obesity, weight gain and progression of knee osteoarthritis is well supported, suggesting that excessive joint loading may be a mechanism responsible for cartilage deterioration. Examining the influence of weight gain on joint compressive forces is difficult, as both muscles and ground reaction forces can have a significant impact on the forces experienced during gait. While previous studies have examined the relationship between body weight and knee forces, these studies have used models that were not validated using experimental data. Therefore, the objective of this study was to evaluate the relationship between changes in body weight and changes in knee joint contact forces for an individual's gait pattern using musculoskeletal modeling that is validated against known internal compressive forces. Optimal weighting constants were determined for three subjects to generate valid predictions of knee contact forces (KCFs) using in vivo data collection with instrumented total knee arthroplasty. A total of five simulations per walking trial were generated for each subject, from 80% to 120% body weight in 10% increments, resulting in 50 total simulations. The change in peak KCF with respect to body weight was found to be constant and subject-specific, predominantly determined by the peak force during the baseline condition at 100% body weight. This relationship may be further altered by any change in kinematics or body mass distribution that may occur as a result of a change in body weight or exercise program.

Characteristic Model of a Shock Absorber in an Unmanned Ground Vehicle

NASA Astrophysics Data System (ADS)

Danko, Ján; Milesich, Tomáš; Bugár, Martin; Madarás, Juraj

2012-12-01

The paper deals with mathematical models for the shock absorber of an unmanned ground vehicle. The possibility of mathematically modeling the shock absorber is discussed. Specific types of mathematical models are described and the experimental measurement of a shock absorber is made. For modeling the characteristics of the shock absorber the modified Bouc-Wen model (Spencer model) is selected. From the mathematical model, a simulation model in Matlab/Simulink is created. The identification of the Spencer model parameters is performed and force-velocity and force-displacement characteristics of the shock absorber of an unmanned ground vehicle is made. In the conclusions, the simulated characteristics are verified and evaluated by the measured characteristics.

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.

Implementation of the vortex force formalism in the coupled ocean-atmosphere-wave-sediment transport (COAWST) modeling system for inner shelf and surf zone applications

USGS Publications Warehouse

Kumar, Nirnimesh; Voulgaris, George; Warner, John C.; Olabarrieta, Maitane

2012-01-01

Model results from the planar beach case show good agreement with depth-averaged analytical solutions and with theoretical flow structures. Simulation results for the DUCK' 94 experiment agree closely with measured profiles of cross-shore and longshore velocity data from and . Diagnostic simulations showed that the nonlinear processes of wave roller generation and wave-induced mixing are important for the accurate simulation of surf zone flows. It is further recommended that a more realistic approach for determining the contribution of wave rollers and breaking induced turbulent mixing can be formulated using non-dimensional parameters which are functions of local wave parameters and the beach slope. Dominant terms in the cross-shore momentum balance are found to be the quasi-static pressure gradient and breaking acceleration. In the alongshore direction, bottom stress, breaking acceleration, horizontal advection and horizontal vortex forces dominate the momentum balance. The simulation results for the bar/rip channel morphology case clearly show the ability of the modeling system to reproduce horizontal and vertical circulation patterns similar to those found in laboratory studies and to numerical simulations using the radiation stress representation. The vortex force term is found to be more important at locations where strong flow vorticity interacts with the wave-induced Stokes flow field. Outside the surf zone, the three-dimensional model simulations of wave-induced flows for non-breaking waves closely agree with flow observations from MVCO, with the vertical structure of the simulated flow varying as a function of the vertical viscosity as demonstrated by Lentz et al. (2008).

Simulating Black Carbon and Dust and their Radiative Forcing in Seasonal Snow: A Case Study over North China with Field Campaign Measurements

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

Zhao, Chun; Hu, Zhiyuan; Qian, Yun

2014-10-30

A state-of-the-art regional model, WRF-Chem, is coupled with the SNICAR model that includes the sophisticated representation of snow metamorphism processes available for climate study. The coupled model is used to simulate the black carbon (BC) and dust concentrations and their radiative forcing in seasonal snow over North China in January-February of 2010, with extensive field measurements used to evaluate the model performance. In general, the model simulated spatial variability of BC and dust mass concentrations in the top snow layer (hereafter BCS and DSTS, respectively) are quantitatively or qualitatively consistent with observations. The model generally moderately underestimates BCS in themore » clean regions but significantly overestimates BCS in some polluted regions. Most model results fall into the uncertainty ranges of observations. The simulated BCS and DSTS are highest with >5000 ng g-1 and up to 5 mg g-1, respectively, over the source regions and reduce to <50 ng g-1 and <1 μg g-1, respectively, in the remote regions. BCS and DSTS introduce similar magnitude of radiative warming (~10 W m-2) in snowpack, which is comparable to the magnitude of surface radiative cooling due to BC and dust in the atmosphere. This study represents the first effort in using a regional modeling framework to simulate BC and dust and their direct radiative forcing in snow. Although a variety of observational datasets have been used to attribute model biases, some uncertainties in the results remain, which highlights the need for more observations, particularly concurrent measurements of atmospheric and snow aerosols and the deposition fluxes of aerosols, in future campaigns.« less

A Single Column Model Ensemble Approach Applied to the TWP-ICE Experiment

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

Davies, Laura; Jakob, Christian; Cheung, K.

2013-06-27

Single column models (SCM) are useful testbeds for investigating the parameterisation schemes of numerical weather prediction and climate models. The usefulness of SCM simulations are limited, however, by the accuracy of the best-estimate large-scale data prescribed. One method to address this uncertainty is to perform ensemble simulations of the SCM. This study first derives an ensemble of large-scale data for the Tropical Warm Pool International Cloud Experiment (TWP-ICE) based on an estimate of a possible source of error in the best-estimate product. This data is then used to carry out simulations with 11 SCM and 2 cloud-resolving models (CRM). Best-estimatemore » simulations are also performed. All models show that moisture related variables are close to observations and there are limited differences between the best-estimate and ensemble mean values. The models, however, show different sensitivities to changes in the forcing particularly when weakly forced. The ensemble simulations highlight important differences in the moisture budget between the SCM and CRM. Systematic differences are also apparent in the ensemble mean vertical structure of cloud variables. The ensemble is further used to investigate relations between cloud variables and precipitation identifying large differences between CRM and SCM. This study highlights that additional information can be gained by performing ensemble simulations enhancing the information derived from models using the more traditional single best-estimate simulation.« less

OMIP contribution to CMIP6: experimental and diagnostic protocol for the physical component of the Ocean Model Intercomparison Project

NASA Astrophysics Data System (ADS)

Griffies, Stephen M.; Danabasoglu, Gokhan; Durack, Paul J.; Adcroft, Alistair J.; Balaji, V.; Böning, Claus W.; Chassignet, Eric P.; Curchitser, Enrique; Deshayes, Julie; Drange, Helge; Fox-Kemper, Baylor; Gleckler, Peter J.; Gregory, Jonathan M.; Haak, Helmuth; Hallberg, Robert W.; Heimbach, Patrick; Hewitt, Helene T.; Holland, David M.; Ilyina, Tatiana; Jungclaus, Johann H.; Komuro, Yoshiki; Krasting, John P.; Large, William G.; Marsland, Simon J.; Masina, Simona; McDougall, Trevor J.; Nurser, A. J. George; Orr, James C.; Pirani, Anna; Qiao, Fangli; Stouffer, Ronald J.; Taylor, Karl E.; Treguier, Anne Marie; Tsujino, Hiroyuki; Uotila, Petteri; Valdivieso, Maria; Wang, Qiang; Winton, Michael; Yeager, Stephen G.

2016-09-01

The Ocean Model Intercomparison Project (OMIP) is an endorsed project in the Coupled Model Intercomparison Project Phase 6 (CMIP6). OMIP addresses CMIP6 science questions, investigating the origins and consequences of systematic model biases. It does so by providing a framework for evaluating (including assessment of systematic biases), understanding, and improving ocean, sea-ice, tracer, and biogeochemical components of climate and earth system models contributing to CMIP6. Among the WCRP Grand Challenges in climate science (GCs), OMIP primarily contributes to the regional sea level change and near-term (climate/decadal) prediction GCs.OMIP provides (a) an experimental protocol for global ocean/sea-ice models run with a prescribed atmospheric forcing; and (b) a protocol for ocean diagnostics to be saved as part of CMIP6. We focus here on the physical component of OMIP, with a companion paper (Orr et al., 2016) detailing methods for the inert chemistry and interactive biogeochemistry. The physical portion of the OMIP experimental protocol follows the interannual Coordinated Ocean-ice Reference Experiments (CORE-II). Since 2009, CORE-I (Normal Year Forcing) and CORE-II (Interannual Forcing) have become the standard methods to evaluate global ocean/sea-ice simulations and to examine mechanisms for forced ocean climate variability. The OMIP diagnostic protocol is relevant for any ocean model component of CMIP6, including the DECK (Diagnostic, Evaluation and Characterization of Klima experiments), historical simulations, FAFMIP (Flux Anomaly Forced MIP), C4MIP (Coupled Carbon Cycle Climate MIP), DAMIP (Detection and Attribution MIP), DCPP (Decadal Climate Prediction Project), ScenarioMIP, HighResMIP (High Resolution MIP), as well as the ocean/sea-ice OMIP simulations.

Low-dimensional modelling of a transient cylinder wake using double proper orthogonal decomposition

NASA Astrophysics Data System (ADS)

Siegel, Stefan G.; Seidel, J.?Rgen; Fagley, Casey; Luchtenburg, D. M.; Cohen, Kelly; McLaughlin, Thomas

For the systematic development of feedback flow controllers, a numerical model that captures the dynamic behaviour of the flow field to be controlled is required. This poses a particular challenge for flow fields where the dynamic behaviour is nonlinear, and the governing equations cannot easily be solved in closed form. This has led to many versions of low-dimensional modelling techniques, which we extend in this work to represent better the impact of actuation on the flow. For the benchmark problem of a circular cylinder wake in the laminar regime, we introduce a novel extension to the proper orthogonal decomposition (POD) procedure that facilitates mode construction from transient data sets. We demonstrate the performance of this new decomposition by applying it to a data set from the development of the limit cycle oscillation of a circular cylinder wake simulation as well as an ensemble of transient forced simulation results. The modes obtained from this decomposition, which we refer to as the double POD (DPOD) method, correctly track the changes of the spatial modes both during the evolution of the limit cycle and when forcing is applied by transverse translation of the cylinder. The mode amplitudes, which are obtained by projecting the original data sets onto the truncated DPOD modes, can be used to construct a dynamic mathematical model of the wake that accurately predicts the wake flow dynamics within the lock-in region at low forcing amplitudes. This low-dimensional model, derived using nonlinear artificial neural network based system identification methods, is robust and accurate and can be used to simulate the dynamic behaviour of the wake flow. We demonstrate this ability not just for unforced and open-loop forced data, but also for a feedback-controlled simulation that leads to a 90% reduction in lift fluctuations. This indicates the possibility of constructing accurate dynamic low-dimensional models for feedback control by using unforced and transient forced data only.

Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.

PubMed

Lemkul, Justin A; Roux, Benoît; van der Spoel, David; MacKerell, Alexander D

2015-07-15

Explicit treatment of electronic polarization in empirical force fields used for molecular dynamics simulations represents an important advancement in simulation methodology. A straightforward means of treating electronic polarization in these simulations is the inclusion of Drude oscillators, which are auxiliary, charge-carrying particles bonded to the cores of atoms in the system. The additional degrees of freedom make these simulations more computationally expensive relative to simulations using traditional fixed-charge (additive) force fields. Thus, efficient tools are needed for conducting these simulations. Here, we present the implementation of highly scalable algorithms in the GROMACS simulation package that allow for the simulation of polarizable systems using extended Lagrangian dynamics with a dual Nosé-Hoover thermostat as well as simulations using a full self-consistent field treatment of polarization. The performance of systems of varying size is evaluated, showing that the present code parallelizes efficiently and is the fastest implementation of the extended Lagrangian methods currently available for simulations using the Drude polarizable force field. © 2015 Wiley Periodicals, Inc.

Transient Simulation of Last Deglaciation with a New Mechanism for B lling-Aller d Warming

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

Erickson, David J

2009-01-01

We conducted the first synchronously coupled atmosphere-ocean general circulation model simulation from the Last Glacial Maximum to the Boelling-Alleroed (BA) warming. Our model reproduces several major features of the deglacial climate evolution, suggesting a good agreement in climate sensitivity between the model and observations. In particular, our model simulates the abrupt BA warming as a transient response of the Atlantic meridional overturning circulation (AMOC) to a sudden termination of freshwater discharge to the North Atlantic before the BA. In contrast to previous mechanisms that invoke AMOC multiple equilibrium and Southern Hemisphere climate forcing, we propose that the BA transition ismore » caused by the superposition of climatic responses to the transient CO{sub 2} forcing, the AMOC recovery from Heinrich Event 1, and an AMOC overshoot.« less

Microscopic modeling of multi-lane highway traffic flow

NASA Astrophysics Data System (ADS)

Hodas, Nathan O.; Jagota, Anand

2003-12-01

We discuss a microscopic model for the study of multi-lane highway traffic flow dynamics. Each car experiences a force resulting from a combination of the desire of the driver to attain a certain velocity, aerodynamic drag, and change of the force due to car-car interactions. The model also includes multi-lane simulation capability and the ability to add and remove obstructions. We implement the model via a Java applet, which is used to simulate traffic jam formation, the effect of bottlenecks on traffic flow, and the existence of light, medium, and heavy traffic flow. The simulations also provide insight into how the properties of individual cars result in macroscopic behavior. Because the investigation of emergent characteristics is so common in physics, the study of traffic in this manner sheds new light on how the micro-to-macro transition works in general.

Contact dynamics math model

NASA Technical Reports Server (NTRS)

Glaese, John R.; Tobbe, Patrick A.

1986-01-01

The Space Station Mechanism Test Bed consists of a hydraulically driven, computer controlled six degree of freedom (DOF) motion system with which docking, berthing, and other mechanisms can be evaluated. Measured contact forces and moments are provided to the simulation host computer to enable representation of orbital contact dynamics. This report describes the development of a generalized math model which represents the relative motion between two rigid orbiting vehicles. The model allows motion in six DOF for each body, with no vehicle size limitation. The rotational and translational equations of motion are derived. The method used to transform the forces and moments from the sensor location to the vehicles' centers of mass is also explained. Two math models of docking mechanisms, a simple translational spring and the Remote Manipulator System end effector, are presented along with simulation results. The translational spring model is used in an attempt to verify the simulation with compensated hardware in the loop results.

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.

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.

Design and verification of a simple 3D dynamic model of speed skating which mimics observed forces and motions.

PubMed

van der Kruk, E; Veeger, H E J; van der Helm, F C T; Schwab, A L

2017-11-07

Advice about the optimal coordination pattern for an individual speed skater, could be addressed by simulation and optimization of a biomechanical speed skating model. But before getting to this optimization approach one needs a model that can reasonably match observed behaviour. Therefore, the objective of this study is to present a verified three dimensional inverse skater model with minimal complexity, which models the speed skating motion on the straights. The model simulates the upper body transverse translation of the skater together with the forces exerted by the skates on the ice. The input of the model is the changing distance between the upper body and the skate, referred to as the leg extension (Euclidean distance in 3D space). Verification shows that the model mimics the observed forces and motions well. The model is most accurate for the position and velocity estimation (respectively 1.2% and 2.9% maximum residuals) and least accurate for the force estimations (underestimation of 4.5-10%). The model can be used to further investigate variables in the skating motion. For this, the input of the model, the leg extension, can be optimized to obtain a maximal forward velocity of the upper body. Copyright © 2017 The Author(s). Published by Elsevier Ltd.. All rights reserved.

Swimming in a granular frictional fluid

NASA Astrophysics Data System (ADS)

Goldman, Daniel

2012-02-01

X-ray imaging reveals that the sandfish lizard swims within granular media (sand) using axial body undulations to propel itself without the use of limbs. To model the locomotion of the sandfish, we previously developed an empirical resistive force theory (RFT), a numerical sandfish model coupled to an experimentally validated Discrete Element Method (DEM) model of the granular medium, and a physical robot model. The models reveal that only grains close to the swimmer are fluidized, and that the thrust and drag forces are dominated by frictional interactions among grains and the intruder. In this talk I will use these models to discuss principles of swimming within these granular ``frictional fluids". The empirical drag force laws are measured as the steady-state forces on a small cylinder oriented at different angles relative to the displacement direction. Unlike in Newtonian fluids, resistive forces are independent of speed. Drag forces resemble those in viscous fluids while the ratio of thrust to drag forces is always larger in the granular media than in viscous fluids. Using the force laws as inputs, the RFT overestimates swimming speed by approximately 20%. The simulation reveals that this is related to the non-instantaneous increase in force during reversals of body segments. Despite the inaccuracy of the steady-state assumption, we use the force laws and a recently developed geometric mechanics theory to predict optimal gaits for a model system that has been well-studied in Newtonian fluids, the three-link swimmer. The combination of the geometric theory and the force laws allows us to generate a kinematic relationship between the swimmer's shape and position velocities and to construct connection vector field and constraint curvature function visualizations of the system dynamics. From these we predict optimal gaits for forward, lateral and rotational motion. Experiment and simulation are in accord with the theoretical prediction, and demonstrate that swimming in sand can be viewed as movement in a localized frictional fluid.

A Guide to Computer Simulations of Three Adaptive Instructional Models for the Advanced Instructional System Phases II and III. Final Report.

ERIC Educational Resources Information Center

Hansen, Duncan N.; And Others

Computer simulations of three individualized adaptive instructional models (AIM) were undertaken to determine if these models function as prescribed in Air Force technical training programs. In addition, the project sought to develop a user's guide for effective understanding of adaptive models during field implementation. Successful simulations…

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.

Three-dimensional simulation of the motion of a single particle under a simulated turbulent velocity field

NASA Astrophysics Data System (ADS)

Moreno-Casas, P. A.; Bombardelli, F. A.

2015-12-01

A 3D Lagrangian particle tracking model is coupled to a 3D channel velocity field to simulate the saltation motion of a single sediment particle moving in saltation mode. The turbulent field is a high-resolution three dimensional velocity field that reproduces a by-pass transition to turbulence on a flat plate due to free-stream turbulence passing above de plate. In order to reduce computational costs, a decoupled approached is used, i.e., the turbulent flow is simulated independently from the tracking model, and then used to feed the 3D Lagrangian particle model. The simulations are carried using the point-particle approach. The particle tracking model contains three sub-models, namely, particle free-flight, a post-collision velocity and bed representation sub-models. The free-flight sub-model considers the action of the following forces: submerged weight, non-linear drag, lift, virtual mass, Magnus and Basset forces. The model also includes the effect of particle angular velocity. The post-collision velocities are obtained by applying conservation of angular and linear momentum. The complete model was validated with experimental results from literature within the sand range. Results for particle velocity time series and distribution of particle turbulent intensities are presented.

Approaching a realistic force balance in geodynamo simulations

PubMed Central

Yadav, Rakesh K.; Gastine, Thomas; Christensen, Ulrich R.; Wolk, Scott J.; Poppenhaeger, Katja

2016-01-01

Earth sustains its magnetic field by a dynamo process driven by convection in the liquid outer core. Geodynamo simulations have been successful in reproducing many observed properties of the geomagnetic field. However, although theoretical considerations suggest that flow in the core is governed by a balance between Lorentz force, rotational force, and buoyancy (called MAC balance for Magnetic, Archimedean, Coriolis) with only minute roles for viscous and inertial forces, dynamo simulations must use viscosity values that are many orders of magnitude larger than in the core, due to computational constraints. In typical geodynamo models, viscous and inertial forces are not much smaller than the Coriolis force, and the Lorentz force plays a subdominant role; this has led to conclusions that these simulations are viscously controlled and do not represent the physics of the geodynamo. Here we show, by a direct analysis of the relevant forces, that a MAC balance can be achieved when the viscosity is reduced to values close to the current practical limit. Lorentz force, buoyancy, and the uncompensated (by pressure) part of the Coriolis force are of very similar strength, whereas viscous and inertial forces are smaller by a factor of at least 20 in the bulk of the fluid volume. Compared with nonmagnetic convection at otherwise identical parameters, the dynamo flow is of larger scale and is less invariant parallel to the rotation axis (less geostrophic), and convection transports twice as much heat, all of which is expected when the Lorentz force strongly influences the convection properties. PMID:27790991

Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach

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

Trément, Sébastien; Rousseau, Bernard, E-mail: bernard.rousseau@u-psud.fr; Schnell, Benoît

2014-04-07

We apply operational procedures available in the literature to the construction of coarse-grained conservative and friction forces for use in dissipative particle dynamics (DPD) simulations. The full procedure rely on a bottom-up approach: large molecular dynamics trajectories of n-pentane and n-decane modeled with an anisotropic united atom model serve as input for the force field generation. As a consequence, the coarse-grained model is expected to reproduce at least semi-quantitatively structural and dynamical properties of the underlying atomistic model. Two different coarse-graining levels are studied, corresponding to five and ten carbon atoms per DPD bead. The influence of the coarse-graining levelmore » on the generated force fields contributions, namely, the conservative and the friction part, is discussed. It is shown that the coarse-grained model of n-pentane correctly reproduces self-diffusion and viscosity coefficients of real n-pentane, while the fully coarse-grained model for n-decane at ambient temperature over-predicts diffusion by a factor of 2. However, when the n-pentane coarse-grained model is used as a building block for larger molecule (e.g., n-decane as a two blobs model), a much better agreement with experimental data is obtained, suggesting that the force field constructed is transferable to large macro-molecular systems.« less

Combining configurational energies and forces for molecular force field optimization

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

Vlcek, Lukas; Sun, Weiwei; Kent, Paul R. C.

While quantum chemical simulations have been increasingly used as an invaluable source of information for atomistic model development, the high computational expenses typically associated with these techniques often limit thorough sampling of the systems of interest. It is therefore of great practical importance to use all available information as efficiently as possible, and in a way that allows for consistent addition of constraints that may be provided by macroscopic experiments. We propose a simple approach that combines information from configurational energies and forces generated in a molecular dynamics simulation to increase the effective number of samples. Subsequently, this information ismore » used to optimize a molecular force field by minimizing the statistical distance similarity metric. We also illustrate the methodology on an example of a trajectory of configurations generated in equilibrium molecular dynamics simulations of argon and water and compare the results with those based on the force matching method.« less

Combining configurational energies and forces for molecular force field optimization

DOE PAGES

Vlcek, Lukas; Sun, Weiwei; Kent, Paul R. C.

2017-07-21

While quantum chemical simulations have been increasingly used as an invaluable source of information for atomistic model development, the high computational expenses typically associated with these techniques often limit thorough sampling of the systems of interest. It is therefore of great practical importance to use all available information as efficiently as possible, and in a way that allows for consistent addition of constraints that may be provided by macroscopic experiments. We propose a simple approach that combines information from configurational energies and forces generated in a molecular dynamics simulation to increase the effective number of samples. Subsequently, this information ismore » used to optimize a molecular force field by minimizing the statistical distance similarity metric. We also illustrate the methodology on an example of a trajectory of configurations generated in equilibrium molecular dynamics simulations of argon and water and compare the results with those based on the force matching method.« less

Feel, imagine and learn! - Haptic augmented simulation and embodied instruction in physics learning

NASA Astrophysics Data System (ADS)

Han, In Sook

The purpose of this study was to investigate the potentials and effects of an embodied instructional model in abstract concept learning. This embodied instructional process included haptic augmented educational simulation as an instructional tool to provide perceptual experiences as well as further instruction to activate those previous experiences with perceptual simulation. In order to verify the effectiveness of this instructional model, haptic augmented simulation with three different haptic levels (force and kinesthetic, kinesthetic, and non-haptic) and instructional materials (narrative and expository) were developed and their effectiveness tested. 220 fifth grade students were recruited to participate in the study from three elementary schools located in lower SES neighborhoods in Bronx, New York. The study was conducted for three consecutive weeks in regular class periods. The data was analyzed using ANCOVA, ANOVA, and MANOVA. The result indicates that haptic augmented simulations, both the force and kinesthetic and the kinesthetic simulations, was more effective than the non-haptic simulation in providing perceptual experiences and helping elementary students to create multimodal representations about machines' movements. However, in most cases, force feedback was needed to construct a fully loaded multimodal representation that could be activated when the instruction with less sensory modalities was being given. In addition, the force and kinesthetic simulation was effective in providing cognitive grounding to comprehend a new learning content based on the multimodal representation created with enhanced force feedback. Regarding the instruction type, it was found that the narrative and the expository instructions did not make any difference in activating previous perceptual experiences. These findings suggest that it is important to help students to make a solid cognitive ground with perceptual anchor. Also, sequential abstraction process would deepen students' understanding by providing an opportunity to practice their mental simulation by removing sensory modalities used one by one and to gradually reach abstract level of understanding where students can imagine the machine's movements and working mechanisms with only abstract language without any perceptual supports.

Technical Note: On the use of nudging for aerosol–climate model intercomparison studies

DOE PAGES

Zhang, K.; Wan, H.; Liu, X.; ...

2014-08-26

Nudging as an assimilation technique has seen increased use in recent years in the development and evaluation of climate models. Constraining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5 (CAM5), due to the systematic temperature bias in the standard model and the sensitivity ofmore » simulated ice formation to anthropogenic aerosol concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on long-wave cloud forcing. In order to reduce discrepancies between the nudged and unconstrained simulations, and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. Results from both CAM5 and a second aerosol–climate model ECHAM6-HAM2 also indicate that compared to the wind-and-temperature nudging, constraining only winds leads to better agreement with the free-running model in terms of the estimated shortwave cloud forcing and the simulated convective activities. This suggests nudging the horizontal winds but not temperature is a good strategy for the investigation of aerosol indirect effects since it provides well-constrained meteorology without strongly perturbing the model's mean climate.« less

Technical Note: On the use of nudging for aerosol-climate model intercomparison studies

NASA Astrophysics Data System (ADS)

Zhang, K.; Wan, H.; Liu, X.; Ghan, S. J.; Kooperman, G. J.; Ma, P.-L.; Rasch, P. J.; Neubauer, D.; Lohmann, U.

2014-08-01

Nudging as an assimilation technique has seen increased use in recent years in the development and evaluation of climate models. Constraining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5 (CAM5), due to the systematic temperature bias in the standard model and the sensitivity of simulated ice formation to anthropogenic aerosol concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on long-wave cloud forcing. In order to reduce discrepancies between the nudged and unconstrained simulations, and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. Results from both CAM5 and a second aerosol-climate model ECHAM6-HAM2 also indicate that compared to the wind-and-temperature nudging, constraining only winds leads to better agreement with the free-running model in terms of the estimated shortwave cloud forcing and the simulated convective activities. This suggests nudging the horizontal winds but not temperature is a good strategy for the investigation of aerosol indirect effects since it provides well-constrained meteorology without strongly perturbing the model's mean climate.

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.

Improved short-term variability in the thermosphere-ionosphere-mesosphere-electrodynamics general circulation model

NASA Astrophysics Data System (ADS)

Häusler, K.; Hagan, M. E.; Baumgaertner, A. J. G.; Maute, A.; Lu, G.; Doornbos, E.; Bruinsma, S.; Forbes, J. M.; Gasperini, F.

2014-08-01

We report on a new source of tidal variability in the National Center for Atmospheric Research thermosphere-ionosphere-mesosphere-electrodynamics general circulation model (TIME-GCM). Lower boundary forcing of the TIME-GCM for a simulation of November-December 2009 based on 3-hourly Modern-Era Retrospective Analysis for Research and Application (MERRA) reanalysis data includes day-to-day variations in both diurnal and semidiurnal tides of tropospheric origin. Comparison with TIME-GCM results from a heretofore standard simulation that includes climatological tropospheric tides from the global-scale wave model reveal evidence of the impacts of MERRA forcing throughout the model domain, including measurable tidal variability in the TIME-GCM upper thermosphere. Additional comparisons with measurements made by the Gravity field and steady-state Ocean Circulation Explorer satellite show improved TIME-GCM capability to capture day-to-day variations in thermospheric density for the November-December 2009 period with the new MERRA lower boundary forcing.

Molecular simulation of the thermophysical properties and phase behaviour of impure CO2 relevant to CCS.

PubMed

Cresswell, Alexander J; Wheatley, Richard J; Wilkinson, Richard D; Graham, Richard S

2016-10-20

Impurities from the CCS chain can greatly influence the physical properties of CO 2 . This has important design, safety and cost implications for the compression, transport and storage of CO 2 . There is an urgent need to understand and predict the properties of impure CO 2 to assist with CCS implementation. However, CCS presents demanding modelling requirements. A suitable model must both accurately and robustly predict CO 2 phase behaviour over a wide range of temperatures and pressures, and maintain that predictive power for CO 2 mixtures with numerous, mutually interacting chemical species. A promising technique to address this task is molecular simulation. It offers a molecular approach, with foundations in firmly established physical principles, along with the potential to predict the wide range of physical properties required for CCS. The quality of predictions from molecular simulation depends on accurate force-fields to describe the interactions between CO 2 and other molecules. Unfortunately, there is currently no universally applicable method to obtain force-fields suitable for molecular simulation. In this paper we present two methods of obtaining force-fields: the first being semi-empirical and the second using ab initio quantum-chemical calculations. In the first approach we optimise the impurity force-field against measurements of the phase and pressure-volume behaviour of CO 2 binary mixtures with N 2 , O 2 , Ar and H 2 . A gradient-free optimiser allows us to use the simulation itself as the underlying model. This leads to accurate and robust predictions under conditions relevant to CCS. In the second approach we use quantum-chemical calculations to produce ab initio evaluations of the interactions between CO 2 and relevant impurities, taking N 2 as an exemplar. We use a modest number of these calculations to train a machine-learning algorithm, known as a Gaussian process, to describe these data. The resulting model is then able to accurately predict a much broader set of ab initio force-field calculations at comparatively low numerical cost. Although our method is not yet ready to be implemented in a molecular simulation, we outline the necessary steps here. Such simulations have the potential to deliver first-principles simulation of the thermodynamic properties of impure CO 2 , without fitting to experimental data.

A 3D virtual reality simulator for training of minimally invasive surgery.

PubMed

Mi, Shao-Hua; Hou, Zeng-Gunag; Yang, Fan; Xie, Xiao-Liang; Bian, Gui-Bin

2014-01-01

For the last decade, remarkable progress has been made in the field of cardiovascular disease treatment. However, these complex medical procedures require a combination of rich experience and technical skills. In this paper, a 3D virtual reality simulator for core skills training in minimally invasive surgery is presented. The system can generate realistic 3D vascular models segmented from patient datasets, including a beating heart, and provide a real-time computation of force and force feedback module for surgical simulation. Instruments, such as a catheter or guide wire, are represented by a multi-body mass-spring model. In addition, a realistic user interface with multiple windows and real-time 3D views are developed. Moreover, the simulator is also provided with a human-machine interaction module that gives doctors the sense of touch during the surgery training, enables them to control the motion of a virtual catheter/guide wire inside a complex vascular model. Experimental results show that the simulator is suitable for minimally invasive surgery training.

Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

PubMed Central

2012-01-01

Implicit solvation is a mean force approach to model solvent forces acting on a solute molecule. It is frequently used in molecular simulations to reduce the computational cost of solvent treatment. In the first instance, the free energy of solvation and the associated solvent–solute forces can be approximated by a function of the solvent-accessible surface area (SASA) of the solute and differentiated by an atom–specific solvation parameter σiSASA. A procedure for the determination of values for the σiSASA parameters through matching of explicit and implicit solvation forces is proposed. Using the results of Molecular Dynamics simulations of 188 topologically diverse protein structures in water and in implicit solvent, values for the σiSASA parameters for atom types i of the standard amino acids in the GROMOS force field have been determined. A simplified representation based on groups of atom types σgSASA was obtained via partitioning of the atom–type σiSASA distributions by dynamic programming. Three groups of atom types with well separated parameter ranges were obtained, and their performance in implicit versus explicit simulations was assessed. The solvent forces are available at http://mathbio.nimr.mrc.ac.uk/wiki/Solvent_Forces. PMID:23180979

Report of the Defense Science Board Task Force on Nuclear Deterrence Skills

DTIC Science & Technology

2008-09-01

entail modeling and simulation capability analogous to that for weapon design. A minimum “national” nuclear weapons effects simulator enterprise...systems programs (design, develop, produce, deploy, and sustain) relies 18 I C HA P TE R 3 upon a variety of management models . For example, the Air...entry vehicle design, modeling and simulation efforts, command and control, launch system infrastructure, intermediate-range missile concepts, advanced

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.;

Regionalizing muscle activity causes changes to the magnitude and direction of the force from whole muscles-a modeling study.

PubMed

Rahemi, Hadi; Nigam, Nilima; Wakeling, James M

2014-01-01

Skeletal muscle can contain neuromuscular compartments that are spatially distinct regions that can receive relatively independent levels of activation. This study tested how the magnitude and direction of the force developed by a whole muscle would change when the muscle activity was regionalized within the muscle. A 3D finite element model of a muscle with its bounding aponeurosis was developed for the lateral gastrocnemius, and isometric contractions were simulated for a series of conditions with either a uniform activation pattern, or regionally distinct activation patterns: in all cases the mean activation from all fibers within the muscle reached 10%. The models showed emergent features of the fiber geometry that matched physiological characteristics: with fibers shortening, rotating to greater pennation, adopting curved trajectories in 3D and changes in the thickness and width of the muscle belly. Simulations were repeated for muscle with compliant, normal and stiff aponeurosis and the aponeurosis stiffness affected the changes to the fiber geometry and the resultant muscle force. Changing the regionalization of the activity resulted to changes in the magnitude, direction and center of the force vector from the whole muscle. Regionalizing the muscle activity resulted in greater muscle force than the simulation with uniform activity across the muscle belly. The study shows how the force from a muscle depends on the complex interactions between the muscle fibers and connective tissues and the region of muscle that is active.

The drag forces exerted by lahar flows on a cylindrical pier: case study of post Mount Merapi eruptions

NASA Astrophysics Data System (ADS)

Faizien Haza, Zainul

2018-03-01

Debris flows of lahar flows occurred in post mount eruption is a phenomenon in which large quantities of water, mud, and gravel flow down a stream at a high velocity. It is a second stage of danger after the first danger of lava flows, pyroclastic, and toxic gases. The debris flow of lahar flows has a high density and also high velocity; therefore it has potential detrimental consequences against homes, bridges, and infrastructures, as well as loss of life along its pathway. The collision event between lahar flows and pier of a bridge is observed. The condition is numerically simulated using commercial software of computational fluid dynamic (CFD). The work is also conducted in order to investigate drag force generated during collision. Rheological data of lahar is observed through laboratory test of lahar model as density and viscosity. These data were used as the input data of the CFD simulation. The numerical model is involving two types of fluid: mud and water, therefore multiphase model is adopted in the current CFD simulation. The problem formulation is referring to the constitutive equations of mass and momentum conservation for incompressible and viscous fluid, which in perspective of two dimension (2D). The simulation models describe the situation of the collision event between lahar flows and pier of a bridge. It provides sequential view images of lahar flow impaction and the propagation trend line of the drag force coefficient values. Lahar flow analysis used non-dimensional parameter of Reynolds number. According to the results of numerical simulations, the drag force coefficients are in range 1.23 to 1.48 those are generated by value of flow velocity in range 11.11 m/s to 16.67 m/s.

Do Responses to Different Anthropogenic Forcings Add Linearly in Climate Models?

NASA Technical Reports Server (NTRS)

Marvel, Kate; Schmidt, Gavin A.; Shindell, Drew; Bonfils, Celine; LeGrande, Allegra N.; Nazarenko, Larissa; Tsigaridis, Kostas

2015-01-01

Many detection and attribution and pattern scaling studies assume that the global climate response to multiple forcings is additive: that the response over the historical period is statistically indistinguishable from the sum of the responses to individual forcings. Here, we use the NASA Goddard Institute for Space Studies (GISS) and National Center for Atmospheric Research Community Climate System Model (CCSM) simulations from the CMIP5 archive to test this assumption for multi-year trends in global-average, annual-average temperature and precipitation at multiple timescales. We find that responses in models forced by pre-computed aerosol and ozone concentrations are generally additive across forcings; however, we demonstrate that there are significant nonlinearities in precipitation responses to di?erent forcings in a configuration of the GISS model that interactively computes these concentrations from precursor emissions. We attribute these to di?erences in ozone forcing arising from interactions between forcing agents. Our results suggest that attribution to specific forcings may be complicated in a model with fully interactive chemistry and may provide motivation for other modeling groups to conduct further single-forcing experiments.

Do responses to different anthropogenic forcings add linearly in climate models?

DOE PAGES

Marvel, Kate; Schmidt, Gavin A.; Shindell, Drew; ...

2015-10-14

Many detection and attribution and pattern scaling studies assume that the global climate response to multiple forcings is additive: that the response over the historical period is statistically indistinguishable from the sum of the responses to individual forcings. Here, we use the NASA Goddard Institute for Space Studies (GISS) and National Center for Atmospheric Research Community Climate System Model (CCSM4) simulations from the CMIP5 archive to test this assumption for multi-year trends in global-average, annual-average temperature and precipitation at multiple timescales. We find that responses in models forced by pre-computed aerosol and ozone concentrations are generally additive across forcings. However,more » we demonstrate that there are significant nonlinearities in precipitation responses to different forcings in a configuration of the GISS model that interactively computes these concentrations from precursor emissions. We attribute these to differences in ozone forcing arising from interactions between forcing agents. Lastly, our results suggest that attribution to specific forcings may be complicated in a model with fully interactive chemistry and may provide motivation for other modeling groups to conduct further single-forcing experiments.« less

Materials processing in a centrifuge - Numerical modeling of macrogravity effects

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Downey, J. P.; Jones, J. C.; Curreri, P. A.

1992-01-01

The fluid mechanics associated with crystal growth processes on a centrifuge is investigated. A simple scaling analysis is used to examine the relative magnitudes of the forces acting on the system and good agreement is obtained with previous studies. A two-dimensional model of crystal growth on a centrifuge is proposed and calculations are undertaken to help in understanding the fundamental transport processes within the crystal growth cell. Results from three-dimensional calculations of actual centrifuge-based crystal growth systems are presented both for the thermodynamically stable and unstable configurations. The calculations show the existence of flow bifurcations in certain configurations but not in all instances. The numerical simulations also show that the centrifugal force is the dominant stabilizing force on fluid convection in the stable configuration. The stabilizing influence of the Coriolis force is found to be only secondary in nature. No significant impact of gravity gradient is found in the calculations. Simulations of unstable configurations show that the Coriolis force has a stabilizing influence on fluid motion by delaying the onset of unsteady convection. Detailed flow and thermal field characteristics are presented for all the different cases that are simulated.

Vibrotactile Compliance Feedback for Tangential Force Interaction.

PubMed

Heo, Seongkook; Lee, Geehyuk

2017-01-01

This paper presents a method to generate a haptic illusion of compliance using a vibrotactile actuator when a tangential force is applied to a rigid surface. The novel method builds on a conceptual compliance model where a physical object moves on a textured surface in response to a tangential force. The method plays vibration patterns simulating friction-induced vibrations as an applied tangential force changes. We built a prototype consisting of a two-dimensional tangential force sensor and a surface transducer to test the effectiveness of the model. Participants in user experiments with the prototype perceived the rigid surface of the prototype as a moving, rubber-like plate. The main findings of the experiments are: 1) the perceived stiffness of a simulated material can be controlled by controlling the force-playback transfer function, 2) its perceptual properties such as softness and pleasantness can be controlled by changing friction grain parameters, and 3) the use of the vibrotactile compliance feedback reduces participants' workload including physical demand and frustration while performing a force repetition task.

Response of water temperature to surface wave effects in the Baltic Sea: simulations with the coupled NEMO-WAM model

NASA Astrophysics Data System (ADS)

Alari, Victor; Staneva, Joanna; Breivik, Øyvind; Bidlot, Jean-Raymond; Mogensen, Kristian; Janssen, Peter

2016-04-01

The effects of wind waves on the Baltic Sea water temperature has been studied by coupling the hydrodynamical model NEMO with the wave model WAM. The wave forcing terms that have been taken into consideration are: Stokes-Coriolis force, seastate dependent energy flux and sea-state dependent momentum flux. The combined role of these processes as well as their individual contributions on simulated temperature is analysed. The results indicate a pronounced effect of waves on surface temperature, on the distribution of vertical temperature and on upwellinǵs. In northern parts of the Baltic Sea a warming of the surface layer occurs in the wave included simulations. This in turn reduces the cold bias between simulated and measured data. The warming is primarily caused by sea-state dependent energy flux. Wave induced cooling is mostly observed in near coastal areas and is mainly due to Stokes-Coriolis forcing. The latter triggers effect of intensifying upwellings near the coasts, depending on the direction of the wind. The effect of sea-state dependent momentum flux is predominantly to warm the surface layer. During the summer the wave induced water temperature changes were up to 1 °C.

Refinement of elastic, poroelastic, and osmotic tissue properties of intervertebral disks to analyze behavior in compression.

PubMed

Stokes, Ian A F; Laible, Jeffrey P; Gardner-Morse, Mack G; Costi, John J; Iatridis, James C

2011-01-01

Intervertebral disks support compressive forces because of their elastic stiffness as well as the fluid pressures resulting from poroelasticity and the osmotic (swelling) effects. Analytical methods can quantify the relative contributions, but only if correct material properties are used. To identify appropriate tissue properties, an experimental study and finite element analytical simulation of poroelastic and osmotic behavior of intervertebral disks were combined to refine published values of disk and endplate properties to optimize model fit to experimental data. Experimentally, nine human intervertebral disks with adjacent hemi-vertebrae were immersed sequentially in saline baths having concentrations of 0.015, 0.15, and 1.5 M and the loss of compressive force at constant height (force relaxation) was recorded over several hours after equilibration to a 300-N compressive force. Amplitude and time constant terms in exponential force-time curve-fits for experimental and finite element analytical simulations were compared. These experiments and finite element analyses provided data dependent on poroelastic and osmotic properties of the disk tissues. The sensitivities of the model to alterations in tissue material properties were used to obtain refined values of five key material parameters. The relaxation of the force in the three bath concentrations was exponential in form, expressed as mean compressive force loss of 48.7, 55.0, and 140 N, respectively, with time constants of 1.73, 2.78, and 3.40 h. This behavior was analytically well represented by a model having poroelastic and osmotic tissue properties with published tissue properties adjusted by multiplying factors between 0.55 and 2.6. Force relaxation and time constants from the analytical simulations were most sensitive to values of fixed charge density and endplate porosity.

Haptic simulation framework for determining virtual dental occlusion.

PubMed

Wu, Wen; Chen, Hui; Cen, Yuhai; Hong, Yang; Khambay, Balvinder; Heng, Pheng Ann

2017-04-01

The surgical treatment of many dentofacial deformities is often complex due to its three-dimensional nature. To determine the dental occlusion in the most stable position is essential for the success of the treatment. Computer-aided virtual planning on individualized patient-specific 3D model can help formulate the surgical plan and predict the surgical change. However, in current computer-aided planning systems, it is not possible to determine the dental occlusion of the digital models in the intuitive way during virtual surgical planning because of absence of haptic feedback. In this paper, a physically based haptic simulation framework is proposed, which can provide surgeons with the intuitive haptic feedback to determine the dental occlusion of the digital models in their most stable position. To provide the physically realistic force feedback when the dental models contact each other during the searching process, the contact model is proposed to describe the dynamic and collision properties of the dental models during the alignment. The simulated impulse/contact-based forces are integrated into the unified simulation framework. A validation study has been conducted on fifteen sets of virtual dental models chosen at random and covering a wide range of the dental relationships found clinically. The dental occlusions obtained by an expert were employed as a benchmark to compare the virtual occlusion results. The mean translational and angular deviations of the virtual occlusion results from the benchmark were small. The experimental results show the validity of our method. The simulated forces can provide valuable insights to determine the virtual dental occlusion. The findings of this work and the validation of proposed concept lead the way for full virtual surgical planning on patient-specific virtual models allowing fully customized treatment plans for the surgical correction of dentofacial deformities.

A model of motor performance during surface penetration: from physics to voluntary control.

PubMed

Klatzky, Roberta L; Gershon, Pnina; Shivaprabhu, Vikas; Lee, Randy; Wu, Bing; Stetten, George; Swendsen, Robert H

2013-10-01

The act of puncturing a surface with a hand-held tool is a ubiquitous but complex motor behavior that requires precise force control to avoid potentially severe consequences. We present a detailed model of puncture over a time course of approximately 1,000 ms, which is fit to kinematic data from individual punctures, obtained via a simulation with high-fidelity force feedback. The model describes puncture as proceeding from purely physically determined interactions between the surface and tool, through decline of force due to biomechanical viscosity, to cortically mediated voluntary control. When fit to the data, it yields parameters for the inertial mass of the tool/person coupling, time characteristic of force decline, onset of active braking, stopping time and distance, and late oscillatory behavior, all of which the analysis relates to physical variables manipulated in the simulation. While the present data characterize distinct phases of motor performance in a group of healthy young adults, the approach could potentially be extended to quantify the performance of individuals from other populations, e.g., with sensory-motor impairments. Applications to surgical force control devices are also considered.

Climatic Impacts of a Volcanic Double Event: 536/540 CE

NASA Astrophysics Data System (ADS)

Toohey, M.; Krüger, K.; Sigl, M.; Stordal, F.; Svensen, H.

2015-12-01

Volcanic activity in and around the year 536 CE led to the coldest decade of the Common Era, and has been speculatively linked to large-scale societal crises around the world. Using a coupled aerosol-climate model, with eruption parameters constrained by recently re-dated ice core records and historical observations of the aerosol cloud, we reconstruct the radiative forcing resulting from a sequence of two major volcanic eruptions in 536 and 540 CE. Comparing with a reconstruction of volcanic forcing over the past 1200 years, we estimate that the decadal-scale Northern Hemisphere (NH) extra-tropical radiative forcing from this volcanic "double event" was larger than that of any known period. Earth system model simulations including the volcanic forcing are used to explore the temperature and precipitation anomalies associated with the eruptions, and compared to available proxy records, including maximum latewood density (MXD) temperature reconstructions. Special attention is placed on the decadal persistence of the cooling signal in tree rings, and whether the climate model simulations reproduce such long-term climate anomalies. Finally, the climate model results will be used to explore the probability of socioeconomic crisis resulting directly from the volcanic radiative forcing in different regions of the world.

Assessment of input uncertainty by seasonally categorized latent variables using SWAT

USDA-ARS?s Scientific Manuscript database

Watershed processes have been explored with sophisticated simulation models for the past few decades. It has been stated that uncertainty attributed to alternative sources such as model parameters, forcing inputs, and measured data should be incorporated during the simulation process. Among varyin...

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.

Mesh refinement in a two-dimensional large eddy simulation of a forced shear layer

NASA Technical Reports Server (NTRS)

Claus, R. W.; Huang, P. G.; Macinnes, J. M.

1989-01-01

A series of large eddy simulations are made of a forced shear layer and compared with experimental data. Several mesh densities were examined to separate the effect of numerical inaccuracy from modeling deficiencies. The turbulence model that was used to represent small scale, 3-D motions correctly predicted some gross features of the flow field, but appears to be structurally incorrect. The main effect of mesh refinement was to act as a filter on the scale of vortices that developed from the inflow boundary conditions.

1-D blood flow modelling in a running human body.

PubMed

Szabó, Viktor; Halász, Gábor

2017-07-01

In this paper an attempt was made to simulate blood flow in a mobile human arterial network, specifically, in a running human subject. In order to simulate the effect of motion, a previously published immobile 1-D model was modified by including an inertial force term into the momentum equation. To calculate inertial force, gait analysis was performed at different levels of speed. Our results show that motion has a significant effect on the amplitudes of the blood pressure and flow rate but the average values are not effected significantly.

Simulation System for Training in Laparoscopic Surgery

NASA Technical Reports Server (NTRS)

Basdogan, Cagatay; Ho, Chih-Hao

2003-01-01

A computer-based simulation system creates a visual and haptic virtual environment for training a medical practitioner in laparoscopic surgery. Heretofore, it has been common practice to perform training in partial laparoscopic surgical procedures by use of a laparoscopic training box that encloses a pair of laparoscopic tools, objects to be manipulated by the tools, and an endoscopic video camera. However, the surgical procedures simulated by use of a training box are usually poor imitations of the actual ones. The present computer-based system improves training by presenting a more realistic simulated environment to the trainee. The system includes a computer monitor that displays a real-time image of the affected interior region of the patient, showing laparoscopic instruments interacting with organs and tissues, as would be viewed by use of an endoscopic video camera and displayed to a surgeon during a laparoscopic operation. The system also includes laparoscopic tools that the trainee manipulates while observing the image on the computer monitor (see figure). The instrumentation on the tools consists of (1) position and orientation sensors that provide input data for the simulation and (2) actuators that provide force feedback to simulate the contact forces between the tools and tissues. The simulation software includes components that model the geometries of surgical tools, components that model the geometries and physical behaviors of soft tissues, and components that detect collisions between them. Using the measured positions and orientations of the tools, the software detects whether they are in contact with tissues. In the event of contact, the deformations of the tissues and contact forces are computed by use of the geometric and physical models. The image on the computer screen shows tissues deformed accordingly, while the actuators apply the corresponding forces to the distal ends of the tools. For the purpose of demonstration, the system has been set up to simulate the insertion of a flexible catheter in a bile duct. [As thus configured, the system can also be used to simulate other endoscopic procedures (e.g., bronchoscopy and colonoscopy) that include the insertion of flexible tubes into flexible ducts.] A hybrid approach has been followed in developing the software for real-time simulation of the visual and haptic interactions (1) between forceps and the catheter, (2) between the forceps and the duct, and (3) between the catheter and the duct. The deformations of the duct are simulated by finite-element and modalanalysis procedures, using only the most significant vibration modes of the duct for computing deformations and interaction forces. The catheter is modeled as a set of virtual particles uniformly distributed along the center line of the catheter and connected to each other via linear and torsional springs and damping elements. The interactions between the forceps and the duct as well as the catheter are simulated by use of a ray-based haptic-interaction- simulating technique in which the forceps are modeled as connected line segments.

A Simulation Model to Evaluate Aircraft Survivability and Target Damage during Offensive Counterair Operations.

DTIC Science & Technology

1984-03-01

D-R14i 324 A SIMULATION MODEL TO EVALUATE AIRCRAFT SURVIVABILITY V/3 AND TARGET DAMAGE 0.. (U) AIR FORCE INST OF TECH WRIGHT-PATTERSON AFB OH SCHOOL...MICROCOPY RESOLUTION TEST CHART NATIONAL BUREAU OF STANDARDS- 1963-A J.1 AFIT/GST/0S/84-18 TS I°TI w ’ i A SIMULATION MODEL TO E’VALLUATE AIRCRAFT...numberp Title: A SIMULATION MODEL TO EVALUATE AIRCRAFT SURVIVABILITY AND jARGET DAMAGE DURING OFFENSIVE COUNTERAIR OPERATIONS Thesis Chairma#: James R

Mixed reality temporal bone surgical dissector: mechanical design

PubMed Central

2014-01-01

Objective The Development of a Novel Mixed Reality (MR) Simulation. An evolving training environment emphasizes the importance of simulation. Current haptic temporal bone simulators have difficulty representing realistic contact forces and while 3D printed models convincingly represent vibrational properties of bone, they cannot reproduce soft tissue. This paper introduces a mixed reality model, where the effective elements of both simulations are combined; haptic rendering of soft tissue directly interacts with a printed bone model. This paper addresses one aspect in a series of challenges, specifically the mechanical merger of a haptic device with an otic drill. This further necessitates gravity cancelation of the work assembly gripper mechanism. In this system, the haptic end-effector is replaced by a high-speed drill and the virtual contact forces need to be repositioned to the drill tip from the mid wand. Previous publications detail generation of both the requisite printed and haptic simulations. Method Custom software was developed to reposition the haptic interaction point to the drill tip. A custom fitting, to hold the otic drill, was developed and its weight was offset using the haptic device. The robustness of the system to disturbances and its stable performance during drilling were tested. The experiments were performed on a mixed reality model consisting of two drillable rapid-prototyped layers separated by a free-space. Within the free-space, a linear virtual force model is applied to simulate drill contact with soft tissue. Results Testing illustrated the effectiveness of gravity cancellation. Additionally, the system exhibited excellent performance given random inputs and during the drill’s passage between real and virtual components of the model. No issues with registration at model boundaries were encountered. Conclusion These tests provide a proof of concept for the initial stages in the development of a novel mixed-reality temporal bone simulator. PMID:25927300

Guidelines for Finite Element Modeling of Acoustic Radiation Force-Induced Shear Wave Propagation in Tissue-Mimicking Media

PubMed Central

Palmeri, Mark L.; Qiang, Bo; Chen, Shigao; Urban, Matthew W.

2017-01-01

Ultrasound shear wave elastography is emerging as an important imaging modality for evaluating tissue material properties. In its practice, some systematic biases have been associated with ultrasound frequencies, focal depths and configuration, transducer types (linear versus curvilinear), along with displacement estimation and shear wave speed estimation algorithms. Added to that, soft tissues are not purely elastic, so shear waves will travel at different speeds depending on their spectral content, which can be modulated by the acoustic radiation force excitation focusing, duration and the frequency-dependent stiffness of the tissue. To understand how these different acquisition and material property parameters may affect measurements of shear wave velocity, simulations of the propagation of shear waves generated by acoustic radiation force excitations in viscoelastic media are a very important tool. This article serves to provide an in-depth description of how these simulations are performed. The general scheme is broken into three components: (1) simulation of the three-dimensional acoustic radiation force push beam, (2) applying that force distribution to a finite element model, and (3) extraction of the motion data for post-processing. All three components will be described in detail and combined to create a simulation platform that is powerful for developing and testing algorithms for academic and industrial researchers involved in making quantitative shear wave-based measurements of tissue material properties. PMID:28026760

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

A method for experimental modal separation

NASA Technical Reports Server (NTRS)

Hallauer, W. L., Jr.

1977-01-01

A method is described for the numerical simulation of multiple-shaker modal survey testing using simulated experimental data to optimize the shaker force-amplitude distribution for the purpose of isolating individual modes of vibration. Inertia, damping, stiffness, and model data are stored on magnetic disks, available by direct access to the interactive FORTRAN programs which perform all computations required by this relative force amplitude distribution method.

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride).

PubMed

Lachet, V; Teuler, J-M; Rousseau, B

2015-01-08

A classical all-atoms force field for molecular simulations of hydrofluorocarbons (HFCs) has been developed. Lennard-Jones force centers plus point charges are used to represent dispersion-repulsion and electrostatic interactions. Parametrization of this force field has been performed iteratively using three target properties of pentafluorobutane: the quantum energy of an isolated molecule, the dielectric constant in the liquid phase, and the compressed liquid density. The accuracy and transferability of this new force field has been demonstrated through the simulation of different thermophysical properties of several fluorinated compounds, showing significant improvements compared to existing models. This new force field has been applied to study solubilities of several gases in poly(vinylidene fluoride) (PVDF) above the melting temperature of this polymer. The solubility of CH4, CO2, H2S, H2, N2, O2, and H2O at infinite dilution has been computed using test particle insertions in the course of a NpT hybrid Monte Carlo simulation. For CH4, CO2, and their mixtures, some calculations beyond the Henry regime have also been performed using hybrid Monte Carlo simulations in the osmotic ensemble, allowing both swelling and solubility determination. An ideal mixing behavior is observed, with identical solubility coefficients in the mixtures and in pure gas systems.

A world ocean model for greenhouse sensitivity studies: resolution intercomparison and the role of diagnostic forcing

NASA Astrophysics Data System (ADS)

Washington, Warren M.; Meehl, Gerald A.; Verplank, Lynda; Bettge, Thomas W.

1994-05-01

We have developed an improved version of a world ocean model with the intention of coupling to an atmospheric model. This article documents the simulation capability of this 1° global ocean model, shows improvements over our earlier 5° version, and compares it to features simulated with a 0.5° model. These experiments use a model spin-up methodology whereby the ocean model can subsequently be coupled to an atmospheric model and used for order 100-year coupled model integrations. With present-day computers, 1° is a reasonable compromise in resolution that allows for century-long coupled experiments. The 1° ocean model is derived from a 0.5°-resolution model developed by A. Semtner (Naval Postgraduate School) and R. Chervin (National Center for Atmospheric Research) for studies of the global eddy-resolving world ocean circulation. The 0.5° bottom topography and continental outlines have been altered to be compatible with the 1° resolution, and the Arctic Ocean has been added. We describe the ocean simulation characteristics of the 1° version and compare the result of weakly constraining (three-year time scale) the three-dimensional temperature and salinity fields to the observations below the thermocline (710 m) with the model forced only at the top of the ocean by observed annual mean wind stress, temperature, and salinity. The 1° simulations indicate that major ocean circulation patterns are greatly improved compared to the 5° version and are qualitatively reproduced in comparison to the 0.5° version. Using the annual mean top forcing alone in a 100-year simulation with the 1° version preserves the general features of the major observed temperature and salinity structure with most climate drift occurring mainly beneath the thermocline in the first 50 75 years. Because the thermohaline circulation in the 1° version is relatively weak with annual mean forcing, we demonstrate the importance of the seasonal cycle by performing two sensitivity experiments. Results show a dramatic intensification of the meridional overturning circulation (order of magnitude) with perpetual winter surface temperature forcing in the North Atlantic and strong intensification (factor of three) with perpetual early winter temperatures in that region. These effects are felt throughout the Atlantic (particularly an intensified and northward-shifted Gulf Stream outflow). In the Pacific, the temperature gradient strengthens in the thermocline, thus helping counter the systematic error of a thermocline that is too diffuse.

RCP4.5: A Pathway for Stabilization of Radiative Forcing by 2100

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

Thomson, Allison M.; Calvin, Katherine V.; Smith, Steven J.

2011-07-29

Representative Concentration Pathway (RCP) 4.5 is a scenario that stabilizes radiative forcing at 4.5 W m{sup -2} in the year 2100 without ever exceeding that value. Simulated with the Global Change Assessment Model (GCAM), RCP4.5 includes long-term, global emissions of greenhouse gases, short-lived species, and land-use-land-cover in a global economic framework. RCP4.5 was updated from earlier GCAM scenarios to incorporate historical emissions and land cover information common to the RCP process and follows a cost-minimizing pathway to reach the target radiative forcing. The imperative to limit emissions in order to reach this target drives changes in the energy system, includingmore » shifts to electricity, to lower emissions energy technologies and to the deployment of carbon capture and geologic storage technology. In addition, the RCP4.5 emissions price also applies to land use emissions; as a result, forest lands expand from their present day extent. The simulated future emissions and land use were downscaled from the regional simulation to a grid to facilitate transfer to climate models. While there are many alternative pathways to achieve a radiative forcing level of 4.5 W m{sup -2}, the application of the RCP4.5 provides a common platform for climate models to explore the climate system response to stabilizing the anthropogenic components of radiative forcing.« less

Dynamics of anchor last deployment of submersible buoy system

NASA Astrophysics Data System (ADS)

Zheng, Zhongqiang; Xu, Jianpeng; Huang, Peng; Wang, Lei; Yang, Xiaoguang; Chang, Zongyu

2016-02-01

Submersible buoy systems are widely used for oceanographic research, ocean engineering and coastal defense. Severe sea environment has obvious effects on the dynamics of submersible buoy systems. Huge tension can occur and may cause the snap of cables, especially during the deployment period. This paper studies the deployment dynamics of submersible buoy systems with numerical and experimental methods. By applying the lumped mass approach, a three-dimensional multi-body model of submersible buoy system is developed considering the hydrodynamic force, tension force and impact force between components of submersible buoy system and seabed. Numerical integration method is used to solve the differential equations. The simulation output includes tension force, trajectory, profile and dropping location and impact force of submersible buoys. In addition, the deployment experiment of a simplified submersible buoy model was carried out. The profile and different nodes' velocities of the submersible buoy are obtained. By comparing the results of the two methods, it is found that the numerical model well simulates the actual process and conditions of the experiment. The simulation results agree well with the results of the experiment such as gravity anchor's location and velocities of different nodes of the submersible buoy. The study results will help to understand the conditions of submersible buoy's deployment, operation and recovery, and can be used to guide the design and optimization of the system.

Characterization and application of shape-changing panels with embedded rubber muscle actuators

NASA Astrophysics Data System (ADS)

Peel, Larry D.; Molina, Enrique, Jr.; Baur, Jeffery W.; Justice, Ryan S.

2013-09-01

Cylindrical soft actuators efficiently convert fluid pressure into mechanical energy and thus offer excellent force-to-weight ratios while behaving similar to biological muscle. McKibben-like rubber muscle actuators (RMAs) were embedded into neat elastomer and act as shape-changing panels. The effect of actuator spacing and modeling methods on the performance of these panels was investigated. Simulations from nonlinear finite element models were compared with results from test panels containing four RMAs that were spaced 0, 1/2, 1, and 1.3 RMA diameters apart. Nonlinear ‘laminated plate’ and ‘rod & plate’ finite element (FE) models of individual (non-embedded) RMAs and panels with embedded RMAs were developed. Due to model complexity and resource limitations, several simplified 2D and 3D FE model types, including a 3D ‘Unit Cell’ were created. After subtracting the ‘activation pressure’ needed to initiate contraction, all the models for the individual actuators produced forces consistent with experimental values, but only the more resource-intensive rod & plate models replicated fiber/braid re-orientation and produced more realistic values for actuator contraction. For panel models, the Full 3D rod & plate model appeared to be the most accurate for panel contraction and force, but was not completed for all configurations due to resource limitations. Most embedded panel FE models produced maximum panel actuator force and maximum contraction when the embedded actuators are spaced between 1/2 and 1 diameter apart. Seven panels with embedded RMAs were experimentally fabricated and tested. Panel tests confirmed that maximum or optimal performance occurs when the RMAs are spaced between 1/2 and 1 diameter apart. The tested actuator force was fairly constant in this range, suggesting that minor design or manufacturing differences may not significantly affect panel performance. However, the amount of axial force and contraction decreases significantly at greater than optimal spacing. This multi-faceted work provides useful design, simulation fabrication, and test characteristics for shape-adaptive panels. Bending panels were demonstrated but not modeled. Developers of future shape-adaptive air vehicles have been provided with additional simulation and design tools.

Climate data induced uncertainty in model-based estimations of terrestrial primary productivity

NASA Astrophysics Data System (ADS)

Wu, Zhendong; Ahlström, Anders; Smith, Benjamin; Ardö, Jonas; Eklundh, Lars; Fensholt, Rasmus; Lehsten, Veiko

2017-06-01

Model-based estimations of historical fluxes and pools of the terrestrial biosphere differ substantially. These differences arise not only from differences between models but also from differences in the environmental and climatic data used as input to the models. Here we investigate the role of uncertainties in historical climate data by performing simulations of terrestrial gross primary productivity (GPP) using a process-based dynamic vegetation model (LPJ-GUESS) forced by six different climate datasets. We find that the climate induced uncertainty, defined as the range among historical simulations in GPP when forcing the model with the different climate datasets, can be as high as 11 Pg C yr-1 globally (9% of mean GPP). We also assessed a hypothetical maximum climate data induced uncertainty by combining climate variables from different datasets, which resulted in significantly larger uncertainties of 41 Pg C yr-1 globally or 32% of mean GPP. The uncertainty is partitioned into components associated to the three main climatic drivers, temperature, precipitation, and shortwave radiation. Additionally, we illustrate how the uncertainty due to a given climate driver depends both on the magnitude of the forcing data uncertainty (climate data range) and the apparent sensitivity of the modeled GPP to the driver (apparent model sensitivity). We find that LPJ-GUESS overestimates GPP compared to empirically based GPP data product in all land cover classes except for tropical forests. Tropical forests emerge as a disproportionate source of uncertainty in GPP estimation both in the simulations and empirical data products. The tropical forest uncertainty is most strongly associated with shortwave radiation and precipitation forcing, of which climate data range contributes higher to overall uncertainty than apparent model sensitivity to forcing. Globally, precipitation dominates the climate induced uncertainty over nearly half of the vegetated land area, which is mainly due to climate data range and less so due to the apparent model sensitivity. Overall, climate data ranges are found to contribute more to the climate induced uncertainty than apparent model sensitivity to forcing. Our study highlights the need to better constrain tropical climate, and demonstrates that uncertainty caused by climatic forcing data must be considered when comparing and evaluating carbon cycle model results and empirical datasets.

Convective Systems over the South China Sea: Cloud-Resolving Model Simulations.

NASA Astrophysics Data System (ADS)

Tao, W.-K.; Shie, C.-L.; Simpson, J.; Braun, S.; Johnson, R. H.; Ciesielski, P. E.

2003-12-01

The two-dimensional version of the Goddard Cumulus Ensemble (GCE) model is used to simulate two South China Sea Monsoon Experiment (SCSMEX) convective periods [18 26 May (prior to and during the monsoon onset) and 2 11 June (after the onset of the monsoon) 1998]. Observed large-scale advective tendencies for potential temperature, water vapor mixing ratio, and horizontal momentum are used as the main forcing in governing the GCE model in a semiprognostic manner. The June SCSMEX case has stronger forcing in both temperature and water vapor, stronger low-level vertical shear of the horizontal wind, and larger convective available potential energy (CAPE).The temporal variation of the model-simulated rainfall, time- and domain-averaged heating, and moisture budgets compares well to those diagnostically determined from soundings. However, the model results have a higher temporal variability. The model underestimates the rainfall by 17% to 20% compared to that based on soundings. The GCE model-simulated rainfall for June is in very good agreement with the Tropical Rainfall Measuring Mission (TRMM), precipitation radar (PR), and the Global Precipitation Climatology Project (GPCP). Overall, the model agrees better with observations for the June case rather than the May case.The model-simulated energy budgets indicate that the two largest terms for both cases are net condensation (heating/drying) and imposed large-scale forcing (cooling/moistening). These two terms are opposite in sign, however. The model results also show that there are more latent heat fluxes for the May case. However, more rainfall is simulated for the June case. Net radiation (solar heating and longwave cooling) are about 34% and 25%, respectively, of the net condensation (condensation minus evaporation) for the May and June cases. Sensible heat fluxes do not contribute to rainfall in either of the SCSMEX cases. Two types of organized convective systems, unicell (May case) and multicell (June case), are simulated by the model. They are determined by the observed mean U wind shear (unidirectional versus reverse shear profiles above midlevels).Several sensitivity tests are performed to examine the impact of the radiation, microphysics, and large-scale mean horizontal wind on the organization and intensity of the SCSMEX convective systems.

Simulation of dynamic vehicle-track interaction on small radius curves

NASA Astrophysics Data System (ADS)

Torstensson, Peter T.; Nielsen, Jens C. O.

2011-11-01

A time-domain method for the simulation of general three-dimensional dynamic interaction between a vehicle and a curved railway track, accounting for a prescribed relative wheel-rail displacement excitation in a wide frequency range (up to several hundred Hz), is presented. The simulation model is able to capture the low-frequency vehicle dynamics simultaneously due to curving and the high-frequency track dynamics due to the excitation by, for example, the short-pitch corrugation on the low rail. The adopted multibody dynamics formulation considers inertia forces, such as centrifugal and Coriolis forces, as well as the structural flexibility of vehicle and track components. To represent a wheel/rail surface irregularity, isoparametric two-dimensional elements able to describe generally curved surface shapes are used. The computational effort is reduced by including only one bogie in the vehicle model. The influence of the low-frequency vehicle dynamics of the remaining parts of the vehicle is considered by pre-calculated look-up tables of forces and moments acting in the secondary suspension. For a track model taken as rigid, good agreement is observed between the results calculated with the presented model and a commercial software. The features of the model are demonstrated by a number of numerical examples. The influence of the structural flexibility of the wheelset and track on wheel-rail contact forces is investigated. For a discrete rail irregularity excitation, it is shown that the longitudinal creep force is significantly influenced by the wheelset eigenmodes. The introduction of a velocity-dependent friction law is found to induce an oscillation in the tangential contact force on the low rail with a frequency corresponding to the first anti-symmetric torsional mode of the wheelset. Further, under the application of driving moments on the two wheelsets and excitation by a discrete irregularity on the high rail, the frequency content of the tangential contact forces on the low rail is significantly influenced by the P2 resonance as well as by several wheelset eigenmodes.

Estimating radiative feedbacks from stochastic fluctuations in surface temperature and energy imbalance

NASA Astrophysics Data System (ADS)

Proistosescu, C.; Donohoe, A.; Armour, K.; Roe, G.; Stuecker, M. F.; Bitz, C. M.

2017-12-01

Joint observations of global surface temperature and energy imbalance provide for a unique opportunity to empirically constrain radiative feedbacks. However, the satellite record of Earth's radiative imbalance is relatively short and dominated by stochastic fluctuations. Estimates of radiative feedbacks obtained by regressing energy imbalance against surface temperature depend strongly on sampling choices and on assumptions about whether the stochastic fluctuations are primarily forced by atmospheric or oceanic variability (e.g. Murphy and Forster 2010, Dessler 2011, Spencer and Braswell 2011, Forster 2016). We develop a framework around a stochastic energy balance model that allows us to parse the different contributions of atmospheric and oceanic forcing based on their differing impacts on the covariance structure - or lagged regression - of temperature and radiative imbalance. We validate the framework in a hierarchy of general circulation models: the impact of atmospheric forcing is examined in unforced control simulations of fixed sea-surface temperature and slab ocean model versions; the impact of oceanic forcing is examined in coupled simulations with prescribed ENSO variability. With the impact of atmospheric and oceanic forcing constrained, we are able to predict the relationship between temperature and radiative imbalance in a fully coupled control simulation, finding that both forcing sources are needed to explain the structure of the lagged-regression. We further model the dependence of feedback estimates on sampling interval by considering the effects of a finite equilibration time for the atmosphere, and issues of smoothing and aliasing. Finally, we develop a method to fit the stochastic model to the short timeseries of temperature and radiative imbalance by performing a Bayesian inference based on a modified version of the spectral Whittle likelihood. We are thus able to place realistic joint uncertainty estimates on both stochastic forcing and radiative feedbacks derived from observational records. We find that these records are, as of yet, too short to be useful in constraining radiative feedbacks, and we provide estimates of how the uncertainty narrows as a function of record length.

Reconstruction of Jakobshavn Isbrae's calving dynamics from 1985 to 2017 and sensitivity to future ocean forcing

NASA Astrophysics Data System (ADS)

Bondzio, J. H.; Morlighem, M.; Seroussi, H. L.

2017-12-01

Oceanic forcing is likely to have triggered the breakup of Jakobshavn Isbræ's floating ice tongue in the late 1990s, which led to ongoing dynamic changes such as widespread flow acceleration and mass loss. Our understanding of the link between ice dynamics, oceanic forcing, and calving is limited, yet crucial for prognostic simulations of Jakobshavn Isbræ. Here, we first reconstruct Jakobshavn's calving dynamics from 1985 to 2017, by relying on the model from Bondzio et al. 2017, but with a freely evolving ice front. We test different calving rate parameterizations implemented in the Ice Sheet System Model (ISSM) and determine the best law by comparing the modeled retreat to observations. We then identify the controls on calving rate and ice front retreat by varying the submarine melting rate and frontal melt rates as a function of subglacial water discharge and ocean thermal forcing. This sensitivity analysis is an important step toward performing prognostic simulations of JI and provides pathways for future data acquisition.

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

Bai, Xian-Xu, E-mail: bai@hfut.edu.cn; Wereley, Norman M.; Hu, Wei

A single-degree-of-freedom (SDOF) semi-active vibration control system based on a magnetorheological (MR) damper with an inner bypass is investigated in this paper. The MR damper employing a pair of concentric tubes, between which the key structure, i.e., the inner bypass, is formed and MR fluids are energized, is designed to provide large dynamic range (i.e., ratio of field-on damping force to field-off damping force) and damping force range. The damping force performance of the MR damper is modeled using phenomenological model and verified by the experimental tests. In order to assess its feasibility and capability in vibration control systems, themore » mathematical model of a SDOF semi-active vibration control system based on the MR damper and skyhook control strategy is established. Using an MTS 244 hydraulic vibration exciter system and a dSPACE DS1103 real-time simulation system, experimental study for the SDOF semi-active vibration control system is also conducted. Simulation results are compared to experimental measurements.« less

3D Numerical Simulation of the Wave and Current Loads on a Truss Foundation of the Offshore Wind Turbine During the Extreme Typhoon Event

NASA Astrophysics Data System (ADS)

Lin, C. W.; Wu, T. R.; Chuang, M. H.; Tsai, Y. L.

2015-12-01

The wind in Taiwan Strait is strong and stable which offers an opportunity to build offshore wind farms. However, frequently visited typhoons and strong ocean current require more attentions on the wave force and local scour around the foundation of the turbine piles. In this paper, we introduce an in-house, multi-phase CFD model, Splash3D, for solving the flow field with breaking wave, strong turbulent, and scour phenomena. Splash3D solves Navier-Stokes Equation with Large-Eddy Simulation (LES) for the fluid domain, and uses volume of fluid (VOF) with piecewise linear interface reconstruction (PLIC) method to describe the break free-surface. The waves were generated inside the computational domain by internal wave maker with a mass-source function. This function is designed to adequately simulate the wave condition under observed extreme events based on JONSWAP spectrum and dispersion relationship. Dirichlet velocity boundary condition is assigned at the upper stream boundary to induce the ocean current. At the downstream face, the sponge-layer method combined with pressure Dirichlet boundary condition is specified for dissipating waves and conducting current out of the domain. Numerical pressure gauges are uniformly set on the structure surface to obtain the force distribution on the structure. As for the local scour around the foundation, we developed Discontinuous Bi-viscous Model (DBM) for the development of the scour hole. Model validations were presented as well. The force distribution under observed irregular wave condition was extracted by the irregular-surface force extraction (ISFE) method, which provides a fast and elegant way to integrate the force acting on the surface of irregular structure. From the Simulation results, we found that the total force is mainly induced by the impinging waves, and the force from the ocean current is about 2 order of magnitude smaller than the wave force. We also found the dynamic pressure, wave height, and the projection area of the structure are the main factors to the total force. Detailed results and discussion are presented as well.

Effect of the forcing term in the pseudopotential lattice Boltzmann modeling of thermal flows

NASA Astrophysics Data System (ADS)

Li, Qing; Luo, K. H.

2014-05-01

The pseudopotential lattice Boltzmann (LB) model is a popular model in the LB community for simulating multiphase flows. Recently, several thermal LB models, which are based on the pseudopotential LB model and constructed within the framework of the double-distribution-function LB method, were proposed to simulate thermal multiphase flows [G. Házi and A. Márkus, Phys. Rev. E 77, 026305 (2008), 10.1103/PhysRevE.77.026305; L. Biferale, P. Perlekar, M. Sbragaglia, and F. Toschi, Phys. Rev. Lett. 108, 104502 (2012), 10.1103/PhysRevLett.108.104502; S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037; M. R. Kamali et al., Phys. Rev. E 88, 033302 (2013), 10.1103/PhysRevE.88.033302]. The objective of the present paper is to show that the effect of the forcing term on the temperature equation must be eliminated in the pseudopotential LB modeling of thermal flows. First, the effect of the forcing term on the temperature equation is shown via the Chapman-Enskog analysis. For comparison, alternative treatments that are free from the forcing-term effect are provided. Subsequently, numerical investigations are performed for two benchmark tests. The numerical results clearly show that the existence of the forcing-term effect will lead to significant numerical errors in the pseudopotential LB modeling of thermal flows.

Reconciling Structural and Thermodynamic Predictions Using All-Atom and Coarse-Grain Force Fields: The Case of Charged Oligo-Arginine Translocation into DMPC Bilayers

PubMed Central

2015-01-01

Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide–water and peptide–membrane interactions allow prediction of free energy minima at the bilayer–water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are −2.51, −4.28, and −5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are −0.83, −3.33, and −3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of configurations generated using the all-atom and coarse-grain force fields. Both resolutions show that oligo-arginine peptides adopt preferential orientations as they translocate into the bilayer. The guiding theme centers on charged groups maintaining coordination with polar and charged bilayer components as well as local water. We also observe similar behaviors related with membrane deformations. PMID:25290376

Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

PubMed

Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

2014-10-16

Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of configurations generated using the all-atom and coarse-grain force fields. Both resolutions show that oligo-arginine peptides adopt preferential orientations as they translocate into the bilayer. The guiding theme centers on charged groups maintaining coordination with polar and charged bilayer components as well as local water. We also observe similar behaviors related with membrane deformations.

Palpation simulator with stable haptic feedback.

PubMed

Kim, Sang-Youn; Ryu, Jee-Hwan; Lee, WooJeong

2015-01-01

The main difficulty in constructing palpation simulators is to compute and to generate stable and realistic haptic feedback without vibration. When a user haptically interacts with highly non-homogeneous soft tissues through a palpation simulator, a sudden change of stiffness in target tissues causes unstable interaction with the object. We propose a model consisting of a virtual adjustable damper and an energy measuring element. The energy measuring element gauges energy which is stored in a palpation simulator and the virtual adjustable damper dissipates the energy to achieve stable haptic interaction. To investigate the haptic behavior of the proposed method, impulse and continuous inputs are provided to target tissues. If a haptic interface point meets with the hardest portion in the target tissues modeled with a conventional method, we observe unstable motion and feedback force. However, when the target tissues are modeled with the proposed method, a palpation simulator provides stable interaction without vibration. The proposed method overcomes a problem in conventional haptic palpation simulators where unstable force or vibration can be generated if there is a big discrepancy in material property between an element and its neighboring elements in target tissues.

Simulating Vibrations in a Complex Loaded Structure

NASA Technical Reports Server (NTRS)

Cao, Tim T.

2005-01-01

The Dynamic Response Computation (DIRECT) computer program simulates vibrations induced in a complex structure by applied dynamic loads. Developed to enable rapid analysis of launch- and landing- induced vibrations and stresses in a space shuttle, DIRECT also can be used to analyze dynamic responses of other structures - for example, the response of a building to an earthquake, or the response of an oil-drilling platform and attached tanks to large ocean waves. For a space-shuttle simulation, the required input to DIRECT includes mathematical models of the space shuttle and its payloads, and a set of forcing functions that simulates launch and landing loads. DIRECT can accommodate multiple levels of payload attachment and substructure as well as nonlinear dynamic responses of structural interfaces. DIRECT combines the shuttle and payload models into a single structural model, to which the forcing functions are then applied. The resulting equations of motion are reduced to an optimum set and decoupled into a unique format for simulating dynamics. During the simulation, maximum vibrations, loads, and stresses are monitored and recorded for subsequent analysis to identify structural deficiencies in the shuttle and/or payloads.

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

Mathematical model of small water-plane area twin-hull and application in marine simulator

NASA Astrophysics Data System (ADS)

Zhang, Xiufeng; Lyu, Zhenwang; Yin, Yong; Jin, Yicheng

2013-09-01

Small water-plane area twin-hull (SWATH) has drawn the attention of many researchers due to its good sea-keeping ability. In this paper, MMG's idea of separation was used to perform SWATH movement modeling and simulation; respectively the forces and moment of SWATH were divided into bare hull, propeller, rudder at the fluid hydrodynamics, etc. Wake coefficient at the propellers which reduces thrust coefficient, and rudder mutual interference forces among the hull and propeller, for the calculation of SWATH, were all considered. The fourth-order Runge-Kutta method of integration was used by solving differential equations, in order to get SWATH's movement states. As an example, a turning test at full speed and full starboard rudder of `Seagull' craft is shown. The simulation results show the SWATH's regular pattern and trend of motion. It verifies the correctness of the mathematical model of the turning movement. The SWATH's mathematical model is applied to marine simulator in order to train the pilots or seamen, or safety assessment for ocean engineering project. Lastly, the full mission navigation simulating system (FMNSS) was determined to be a successful virtual reality technology application sample in the field of navigation simulation.

A micro-scale cutting model for UD CFRP composites with thermo-mechanical coupling

DOE PAGES

Cheng, Hui; Gao, Jiaying; Kafka, Orion Landauer; ...

2017-09-23

Cutting a unidirectional carbon fiber-reinforced polymer (UD CFRP) structure is the basic unit for CFRP machining, which is a complex thermal-mechanically coupled process. To reveal the deformation mechanism and predict cutting force in UD CFRP micro cutting, a micro-scale fracture model for UD CFRP cutting with thermal-mechanical coupling is demonstrated in this paper, which captures the failure modes for fibers, matrix and the interface based on a micro-level RVE using a relatively simple damage based fracture method. The thermal-mechanical coupling model at the micro scale is developed on the basis of the plastic energy dissipation and frictional heating during cutting.more » Failure models for the fiber, matrix and interface region are applied depending on the material properties of each of these three phases. Numerical simulations based on the above model with different fiber orientations were performed to predict the deformation and forces of different components in UD CFRP. Cutting experiments with the same fiber orientations as considered in the simulations were carried out to validate the force and deformation results. The predicted force and deformation patterns match well with evidence from our experiments. In general, the cutting force is larger than the thrust force regardless of fiber orientation. The cutting force reaches a maximum as the fiber orientation approaches 90 , but thrust forces do not vary substantially across cases. When the fiber orientation is acute, the deformation of fibers is much smaller than when the cutting angle is obtuse. Surface roughness follows the same trend with cutting angle as fiber deformation.« less

A micro-scale cutting model for UD CFRP composites with thermo-mechanical coupling

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

Cheng, Hui; Gao, Jiaying; Kafka, Orion Landauer

Cutting a unidirectional carbon fiber-reinforced polymer (UD CFRP) structure is the basic unit for CFRP machining, which is a complex thermal-mechanically coupled process. To reveal the deformation mechanism and predict cutting force in UD CFRP micro cutting, a micro-scale fracture model for UD CFRP cutting with thermal-mechanical coupling is demonstrated in this paper, which captures the failure modes for fibers, matrix and the interface based on a micro-level RVE using a relatively simple damage based fracture method. The thermal-mechanical coupling model at the micro scale is developed on the basis of the plastic energy dissipation and frictional heating during cutting.more » Failure models for the fiber, matrix and interface region are applied depending on the material properties of each of these three phases. Numerical simulations based on the above model with different fiber orientations were performed to predict the deformation and forces of different components in UD CFRP. Cutting experiments with the same fiber orientations as considered in the simulations were carried out to validate the force and deformation results. The predicted force and deformation patterns match well with evidence from our experiments. In general, the cutting force is larger than the thrust force regardless of fiber orientation. The cutting force reaches a maximum as the fiber orientation approaches 90 , but thrust forces do not vary substantially across cases. When the fiber orientation is acute, the deformation of fibers is much smaller than when the cutting angle is obtuse. Surface roughness follows the same trend with cutting angle as fiber deformation.« less

Dual-joint modeling for estimation of total knee replacement contact forces during locomotion.

PubMed

Hast, Michael W; Piazza, Stephen J

2013-02-01

Model-based estimation of in vivo contact forces arising between components of a total knee replacement is challenging because such forces depend upon accurate modeling of muscles, tendons, ligaments, contact, and multibody dynamics. Here we describe an approach to solving this problem with results that are tested by comparison to knee loads measured in vivo for a single subject and made available through the Grand Challenge Competition to Predict in vivo Tibiofemoral Loads. The approach makes use of a "dual-joint" paradigm in which the knee joint is alternately represented by (1) a ball-joint knee for inverse dynamic computation of required muscle controls and (2) a 12 degree-of-freedom (DOF) knee with elastic foundation contact at the tibiofemoral and patellofemoral articulations for forward dynamic integration. Measured external forces and kinematics were applied as a feedback controller and static optimization attempted to track measured knee flexion angles and electromyographic (EMG) activity. The resulting simulations showed excellent tracking of knee flexion (average RMS error of 2.53 deg) and EMG (muscle activations within ±10% envelopes of normalized measured EMG signals). Simulated tibiofemoral contact forces agreed qualitatively with measured contact forces, but their RMS errors were approximately 25% of the peak measured values. These results demonstrate the potential of a dual-joint modeling approach to predict joint contact forces from kinesiological data measured in the motion laboratory. It is anticipated that errors in the estimation of contact force will be reduced as more accurate subject-specific models of muscles and other soft tissues are developed.

Atmospheric Boundary Layer Dynamics Near Ross Island and Over West Antarctica.

NASA Astrophysics Data System (ADS)

Liu, Zhong

The atmospheric boundary layer dynamics near Ross Island and over West Antarctica has been investigated. The study consists of two parts. The first part involved the use of data from ground-based remote sensing equipment (sodar and RASS), radiosondes, pilot balloons, automatic weather stations, and NOAA AVHRR satellite imagery. The second part involved the use of a high resolution boundary layer model coupled with a three-dimensional primitive equation mesoscale model to simulate the observed atmospheric boundary layer winds and temperatures. Turbulence parameters were simulated with an E-epsilon turbulence model driven by observed winds and temperatures. The observational analysis, for the first time, revealed that the airflow passing through the Ross Island area is supplied mainly by enhanced katabatic drainage from Byrd Glacier and secondarily drainage from Mulock and Skelton glaciers. The observed diurnal variation of the blocking effect near Ross Island is dominated by the changes in the upstream katabatic airflow. The synthesized analysis over West Antarctica found that the Siple Coast katabatic wind confluence zone consists of two superimposed katabatic airflows: a relatively warm and more buoyant katabatic flow from West Antarctica overlies a colder and less buoyant katabatic airflow from East Antarctica. The force balance analysis revealed that, inside the West Antarctic katabatic wind zone, the pressure gradient force associated with the blocked airflow against the Transantarctic Mountains dominates; inside the East Antarctic katabatic wind zone, the downslope buoyancy force due to the cold air overlying the sloping terrain is dominant. The analysis also shows that these forces are in geostrophic balance with the Coriolis force. An E-epsilon turbulence closure model is used to simulate the diurnal variation of sodar backscatter. The results show that the model is capable of qualitatively capturing the main features of the observed sodar backscatter. To improve the representation of the atmospheric boundary layer, a second-order turbulence closure model coupled with the input from a mesoscale model was applied to the springtime Siple Coast katabatic wind confluence zone. The simulation was able to capture the main features of the confluence zone, which were not well resolved by the mesoscale model.