Simple green approach to reinforce natural rubber with bacterial cellulose nanofibers.

PubMed

Trovatti, Eliane; Carvalho, Antonio J F; Ribeiro, Sidney J L; Gandini, Alessandro

2013-08-12

Natural rubber (NR) is a renewable polymer with a wide range of applications, which is constantly tailored, further increasing its utilizations. The tensile strength is one of its most important properties susceptible of being enhanced by the simple incorporation of nanofibers. The preparation and characterization of natural-rubber based nanocomposites reinforced with bacterial cellulose (BC) and bacterial cellulose coated with polystyrene (BCPS), yielded high performance materials. The nanocomposites were prepared by a simple and green process, and characterized by tensile tests, dynamical mechanical analysis (DMA), scanning electron microscopy (SEM), and swelling experiments. The effect of the nanofiber content on morphology, static, and dynamic mechanical properties was also investigated. The results showed an increase in the mechanical properties, such as Young's modulus and tensile strength, even with modest nanofiber loadings.

Improved Healing of Large, Osseous, Segmental Defects by Reverse Dynamization: Evaluation in a Sheep Model

DTIC Science & Technology

2017-12-01

reverse dynamization. This was supplemented by finite element analysis and the use of a strain gauge. This aim was successfully completed, with the...testing deformation results for model validation. Development of a Finite Element (FE) model was conducted through ANSYS 16 to help characterize...Fixators were characterized through mechanical testing by sawbone and ovine cadaver tibiae samples, and data was used to validate a finite element

Morphology and Dynamic Mechanical Properties of Diglycidyl Ether of Bisphenol-A Toughened with Carboxyl-Terminated Butadiene-Acrylonitrile

NASA Technical Reports Server (NTRS)

Hong, S. D.; Chung, S. Y.; Fedors, R. F.; Moacanin, J.; Gupta, A.

1984-01-01

The fracture toughness of an incorporation of a carboxyl-terminated butadiene acrylonitrile (CTBN) elastomer in diglycidyl ether bisphenol A (DGEBA) resin was investigated. Measurements of dynamic mechanical properties, scanning electron microscopy and small-angle X-ray scattering were carried out to characterize the state of cure, morphology and particle size and size distribution of the neat resins and their graphite fiber reinforced composites.

The failure of earthquake failure models

USGS Publications Warehouse

Gomberg, J.

2001-01-01

In this study I show that simple heuristic models and numerical calculations suggest that an entire class of commonly invoked models of earthquake failure processes cannot explain triggering of seismicity by transient or "dynamic" stress changes, such as stress changes associated with passing seismic waves. The models of this class have the common feature that the physical property characterizing failure increases at an accelerating rate when a fault is loaded (stressed) at a constant rate. Examples include models that invoke rate state friction or subcritical crack growth, in which the properties characterizing failure are slip or crack length, respectively. Failure occurs when the rate at which these grow accelerates to values exceeding some critical threshold. These accelerating failure models do not predict the finite durations of dynamically triggered earthquake sequences (e.g., at aftershock or remote distances). Some of the failure models belonging to this class have been used to explain static stress triggering of aftershocks. This may imply that the physical processes underlying dynamic triggering differs or that currently applied models of static triggering require modification. If the former is the case, we might appeal to physical mechanisms relying on oscillatory deformations such as compaction of saturated fault gouge leading to pore pressure increase, or cyclic fatigue. However, if dynamic and static triggering mechanisms differ, one still needs to ask why static triggering models that neglect these dynamic mechanisms appear to explain many observations. If the static and dynamic triggering mechanisms are the same, perhaps assumptions about accelerating failure and/or that triggering advances the failure times of a population of inevitable earthquakes are incorrect.

Characterization of active hair-bundle motility by a mechanical-load clamp

NASA Astrophysics Data System (ADS)

Salvi, Joshua D.; Maoiléidigh, Dáibhid Ó.; Fabella, Brian A.; Tobin, Mélanie; Hudspeth, A. J.

2015-12-01

Active hair-bundle motility endows hair cells with several traits that augment auditory stimuli. The activity of a hair bundle might be controlled by adjusting its mechanical properties. Indeed, the mechanical properties of bundles vary between different organisms and along the tonotopic axis of a single auditory organ. Motivated by these biological differences and a dynamical model of hair-bundle motility, we explore how adjusting the mass, drag, stiffness, and offset force applied to a bundle control its dynamics and response to external perturbations. Utilizing a mechanical-load clamp, we systematically mapped the two-dimensional state diagram of a hair bundle. The clamp system used a real-time processor to tightly control each of the virtual mechanical elements. Increasing the stiffness of a hair bundle advances its operating point from a spontaneously oscillating regime into a quiescent regime. As predicted by a dynamical model of hair-bundle mechanics, this boundary constitutes a Hopf bifurcation.

Characterizing and modeling the dynamics of online popularity.

PubMed

Ratkiewicz, Jacob; Fortunato, Santo; Flammini, Alessandro; Menczer, Filippo; Vespignani, Alessandro

2010-10-08

Online popularity has an enormous impact on opinions, culture, policy, and profits. We provide a quantitative, large scale, temporal analysis of the dynamics of online content popularity in two massive model systems: the Wikipedia and an entire country's Web space. We find that the dynamics of popularity are characterized by bursts, displaying characteristic features of critical systems such as fat-tailed distributions of magnitude and interevent time. We propose a minimal model combining the classic preferential popularity increase mechanism with the occurrence of random popularity shifts due to exogenous factors. The model recovers the critical features observed in the empirical analysis of the systems analyzed here, highlighting the key factors needed in the description of popularity dynamics.

In situ structure and dynamics of DNA origami determined through molecular dynamics simulations

PubMed Central

Yoo, Jejoong; Aksimentiev, Aleksei

2013-01-01

The DNA origami method permits folding of long single-stranded DNA into complex 3D structures with subnanometer precision. Transmission electron microscopy, atomic force microscopy, and recently cryo-EM tomography have been used to characterize the properties of such DNA origami objects, however their microscopic structures and dynamics have remained unknown. Here, we report the results of all-atom molecular dynamics simulations that characterized the structural and mechanical properties of DNA origami objects in unprecedented microscopic detail. When simulated in an aqueous environment, the structures of DNA origami objects depart from their idealized targets as a result of steric, electrostatic, and solvent-mediated forces. Whereas the global structural features of such relaxed conformations conform to the target designs, local deformations are abundant and vary in magnitude along the structures. In contrast to their free-solution conformation, the Holliday junctions in the DNA origami structures adopt a left-handed antiparallel conformation. We find the DNA origami structures undergo considerable temporal fluctuations on both local and global scales. Analysis of such structural fluctuations reveals the local mechanical properties of the DNA origami objects. The lattice type of the structures considerably affects global mechanical properties such as bending rigidity. Our study demonstrates the potential of all-atom molecular dynamics simulations to play a considerable role in future development of the DNA origami field by providing accurate, quantitative assessment of local and global structural and mechanical properties of DNA origami objects. PMID:24277840

In situ structure and dynamics of DNA origami determined through molecular dynamics simulations.

PubMed

Yoo, Jejoong; Aksimentiev, Aleksei

2013-12-10

The DNA origami method permits folding of long single-stranded DNA into complex 3D structures with subnanometer precision. Transmission electron microscopy, atomic force microscopy, and recently cryo-EM tomography have been used to characterize the properties of such DNA origami objects, however their microscopic structures and dynamics have remained unknown. Here, we report the results of all-atom molecular dynamics simulations that characterized the structural and mechanical properties of DNA origami objects in unprecedented microscopic detail. When simulated in an aqueous environment, the structures of DNA origami objects depart from their idealized targets as a result of steric, electrostatic, and solvent-mediated forces. Whereas the global structural features of such relaxed conformations conform to the target designs, local deformations are abundant and vary in magnitude along the structures. In contrast to their free-solution conformation, the Holliday junctions in the DNA origami structures adopt a left-handed antiparallel conformation. We find the DNA origami structures undergo considerable temporal fluctuations on both local and global scales. Analysis of such structural fluctuations reveals the local mechanical properties of the DNA origami objects. The lattice type of the structures considerably affects global mechanical properties such as bending rigidity. Our study demonstrates the potential of all-atom molecular dynamics simulations to play a considerable role in future development of the DNA origami field by providing accurate, quantitative assessment of local and global structural and mechanical properties of DNA origami objects.

Characterizing RNA ensembles from NMR data with kinematic models

PubMed Central

Fonseca, Rasmus; Pachov, Dimitar V.; Bernauer, Julie; van den Bedem, Henry

2014-01-01

Functional mechanisms of biomolecules often manifest themselves precisely in transient conformational substates. Researchers have long sought to structurally characterize dynamic processes in non-coding RNA, combining experimental data with computer algorithms. However, adequate exploration of conformational space for these highly dynamic molecules, starting from static crystal structures, remains challenging. Here, we report a new conformational sampling procedure, KGSrna, which can efficiently probe the native ensemble of RNA molecules in solution. We found that KGSrna ensembles accurately represent the conformational landscapes of 3D RNA encoded by NMR proton chemical shifts. KGSrna resolves motionally averaged NMR data into structural contributions; when coupled with residual dipolar coupling data, a KGSrna ensemble revealed a previously uncharacterized transient excited state of the HIV-1 trans-activation response element stem–loop. Ensemble-based interpretations of averaged data can aid in formulating and testing dynamic, motion-based hypotheses of functional mechanisms in RNAs with broad implications for RNA engineering and therapeutic intervention. PMID:25114056

Characterization of Bitumen Micro-Mechanical Behaviors Using AFM, Phase Dynamics Theory and MD Simulation.

PubMed

Hou, Yue; Wang, Linbing; Wang, Dawei; Guo, Meng; Liu, Pengfei; Yu, Jianxin

2017-02-21

Fundamental understanding of micro-mechanical behaviors in bitumen, including phase separation, micro-friction, micro-abrasion, etc., can help the pavement engineers better understand the bitumen mechanical performances at macroscale. Recent researches show that the microstructure evolution in bitumen will directly affect its surface structure and micro-mechanical performance. In this study, the bitumen microstructure and micro-mechanical behaviors are studied using Atomic Force Microscopy (AFM) experiments, Phase Dynamics Theory and Molecular Dynamics (MD) Simulation. The AFM experiment results show that different phase-structure will occur at the surface of the bitumen samples under certain thermodynamic conditions at microscale. The phenomenon can be explained using the phase dynamics theory, where the effects of stability parameter and temperature on bitumen microstructure and micro-mechanical behavior are studied combined with MD Simulation. Simulation results show that the saturates phase, in contrast to the naphthene aromatics phase, plays a major role in bitumen micro-mechanical behavior. A high stress zone occurs at the interface between the saturates phase and the naphthene aromatics phase, which may form discontinuities that further affect the bitumen frictional performance.

Characterization of Bitumen Micro-Mechanical Behaviors Using AFM, Phase Dynamics Theory and MD Simulation

PubMed Central

Hou, Yue; Wang, Linbing; Wang, Dawei; Guo, Meng; Liu, Pengfei; Yu, Jianxin

2017-01-01

Fundamental understanding of micro-mechanical behaviors in bitumen, including phase separation, micro-friction, micro-abrasion, etc., can help the pavement engineers better understand the bitumen mechanical performances at macroscale. Recent researches show that the microstructure evolution in bitumen will directly affect its surface structure and micro-mechanical performance. In this study, the bitumen microstructure and micro-mechanical behaviors are studied using Atomic Force Microscopy (AFM) experiments, Phase Dynamics Theory and Molecular Dynamics (MD) Simulation. The AFM experiment results show that different phase-structure will occur at the surface of the bitumen samples under certain thermodynamic conditions at microscale. The phenomenon can be explained using the phase dynamics theory, where the effects of stability parameter and temperature on bitumen microstructure and micro-mechanical behavior are studied combined with MD Simulation. Simulation results show that the saturates phase, in contrast to the naphthene aromatics phase, plays a major role in bitumen micro-mechanical behavior. A high stress zone occurs at the interface between the saturates phase and the naphthene aromatics phase, which may form discontinuities that further affect the bitumen frictional performance. PMID:28772570

Dynamic characterization of small fibers based on the flexural vibrations of a piezoelectric cantilever probe

NASA Astrophysics Data System (ADS)

Zhang, Xiaofei; Ye, Xuan; Li, Xide

2016-08-01

In this paper, we present a cantilever-probe system excited by a piezoelectric actuator, and use it to measure the dynamic mechanical properties of a micro- and nanoscale fiber. Coupling the fiber to the free end of the cantilever probe, we found the dynamic stiffness and damping coefficient of the fiber from the resonance frequency and the quality factor of the fiber-cantilever-probe system. The properties of Bacillus subtilis fibers measured using our proposed system agreed with tensile measurements, validating our method. Our measurements show that the piezoelectric actuator coupled to cantilever probe can be made equivalent to a clamped cantilever with an effective length, and calculated results show that the errors of measured natural frequency of the system can be ignored if the coupled fiber has an inclination angle of alignment of less than 10°. A sensitivity analysis indicates that the first or second resonant mode is the sensitive mode to test the sample’s dynamic stiffness, while the damping property has different sensitivities for the first four modes. Our theoretical analysis demonstrates that the double-cantilever probe is also an effective sensitive structure that can be used to perform dynamic loading and characterize dynamic response. Our method has the advantage of using amplitude-frequency curves to obtain the dynamic mechanical properties without directly measuring displacements and forces as in tensile tests, and it also avoids the effects of the complex surface structure and deformation presenting in contact resonance method. Our method is effective for measuring the dynamic mechanical properties of fiber-like one-dimensional (1D) materials.

Initial Orbit Determination Based on Propagation of Admissible Regions with Differential Algebra

DTIC Science & Technology

2017-01-19

Asteroid close encounter characterization using differential algebra: the case of aphophis. Celestial Mechanics and Dynamical Astronomy , 107(4), 2010...Mechanics and Dynamical Astronomy , 112 (3):331–352, 2012. ISSN 09232958. doi: 10.1007/s10569-012-9400-8. Roberto Armellin, Pierluigi Di Lizia, and Renato... Astronomy , 90(1-2):59–87, 2004. ISSN 09232958. doi: 10.1007/s10569-004-6593-5. 50 DISTRIBUTION A. Approved for public release: distribution unlimited

Nonlinear viscoelastic characterization of polymer materials using a dynamic-mechanical methodology

NASA Technical Reports Server (NTRS)

Strganac, Thomas W.; Payne, Debbie Flowers; Biskup, Bruce A.; Letton, Alan

1995-01-01

Polymer materials retrieved from LDEF exhibit nonlinear constitutive behavior; thus the authors present a method to characterize nonlinear viscoelastic behavior using measurements from dynamic (oscillatory) mechanical tests. Frequency-derived measurements are transformed into time-domain properties providing the capability to predict long term material performance without a lengthy experimentation program. Results are presented for thin-film high-performance polymer materials used in the fabrication of high-altitude scientific balloons. Predictions based upon a linear test and analysis approach are shown to deteriorate for moderate to high stress levels expected for extended applications. Tests verify that nonlinear viscoelastic response is induced by large stresses. Hence, an approach is developed in which the stress-dependent behavior is examined in a manner analogous to modeling temperature-dependent behavior with time-temperature correspondence and superposition principles. The development leads to time-stress correspondence and superposition of measurements obtained through dynamic mechanical tests. Predictions of material behavior using measurements based upon linear and nonlinear approaches are compared with experimental results obtained from traditional creep tests. Excellent agreement is shown for the nonlinear model.

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

Peryshkin, A. Yu., E-mail: alexb700@yandex.ru; Makarov, P. V., E-mail: bacardi@ispms.ru; Eremin, M. O., E-mail: bacardi@ispms.ru

An evolutionary approach proposed in [1, 2] combining the achievements of traditional macroscopic theory of solid mechanics and basic ideas of nonlinear dynamics is applied in a numerical simulation of present-day tectonic plates motion and seismic process in Central Asia. Relative values of strength parameters of rigid blocks with respect to the soft zones were characterized by the δ parameter that was varied in the numerical experiments within δ = 1.1–1.8 for different groups of the zonal-block divisibility. In general, the numerical simulations of tectonic block motion and accompanying seismic process in the model geomedium indicate that the numerical solutionsmore » of the solid mechanics equations characterize its deformation as a typical behavior of a nonlinear dynamic system under conditions of self-organized criticality.« less

Effects of tritium gas exposure on the dynamic mechanical properties of EPDM elastomer

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

Clark, E. A.; Staack, G. C.

2008-07-15

Samples of ethylene propylene diene monomer (EPDM) elastomer were exposed to tritium gas in closed containers at 101 kPa (1 atmosphere) pressure and ambient temperature for about one week. Tritium exposure effects on the samples were characterized by dynamic mechanical analysis (DMA) and radiolysis products were characterized by measuring the total final pressure and composition in the exposure containers at the end of exposure period. There was no effect of one week tritium exposure on the glass transition temperature, Tg, of the samples tested. Impurity gases produced in the closed containers included HT and lesser amounts of H{sub 2}, DTO,more » and CT{sub 4}. The total pressure remained the same during exposure. (authors)« less

EFFECTS OF TRITIUM GAS EXPOSURE ON THE DYNAMIC MECHANICAL PROPERTIES OF EPDM ELASTOMER

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

Clark, E; Gregory Staack, G

2007-08-13

Samples of ethylene propylene diene monomer (EPDM) elastomer were exposed to tritium gas in closed containers initially at 101 kPa (1 atmosphere) pressure and ambient temperature for about one week. Tritium exposure effects on the samples were characterized by dynamic mechanical analysis (DMA) and radiolysis products were characterized by measuring the total final pressure and composition in the exposure containers at the end of exposure period. There was no effect of one week tritium exposure on the glass transition temperature, Tg, of the samples tested. Impurity gases produced in the closed containers included HT and lesser amounts of H{sub 2},more » DTO, and CT{sub 4}. The total pressure remained the same during exposure.« less

Characterization of Metakaolin-Based Geopolymer (Briefing chart)

DTIC Science & Technology

2014-08-31

High Strain Rate Dynamic Characterization of Metakaolin and Fly Ash Bsed Geopolymers for Structural Applications The concrete community has...mechanical properties and microstructure of metakaolin geopolymer , obtain the static properties of metakaolin geopolymer for high strain rate Hopkinson...U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Metakaolin, fly ash, geopolymer , characterization, high strain rate

Characterization of Thin Film Polymers Through Dynamic Mechanical Analysis and Permeation

NASA Technical Reports Server (NTRS)

Herring, Helen

2003-01-01

Thin polymer films are being considered, as candidate materials to augment the permeation resistance of cryogenic hydrogen fuel tanks such as would be required for future reusable launch vehicles. To evaluate performance of candidate films after environmental exposure, an experimental study was performed to measure the thermal/mechanical and permeation performance of six, commercial-grade materials. Dynamic storage modulus, as measured by Dynamic Mechanical Analysis, was found over a range of temperatures. Permeability, as measured by helium gas diffusion, was found at room temperature. Test data was correlated with respect to film type and pre-test exposure to moisture, elevated temperature, and cryogenic temperature. Results indicated that the six films were comparable in performance and their resistance to environmental degradation.

Dynamic mechanical analysis of waste tyre rubber filled brake friction composite materials

NASA Astrophysics Data System (ADS)

Rathi, Mukesh Kumar; Singh, Tej; Chauhan, Ranchan

2018-05-01

In this research work, the dynamic mechanical properties of waste tyre rubber filled friction composites were studied. Four friction composites with varying amount of waste rubber (0, 4, 8, 12 wt.%) and barium sulphate (38, 42, 46, 50 wt.%) were designed and fabricated as per industrial norms. Dynamic mechanical analysis has been carried out to characterize the storage modulus, loss modulus and damping factor of the fabricated friction composite. Experimental results indicated that storage modulus decreases with increasing waste rubber content up to particular loading (4 wt.%), and after that it increases with further loading. The loss modulus of the composites increases steadily with increasing waste rubber content whereas, damping factor remain maximum for 12 wt.% waste rubber filled friction composites.

Research on Formation Mechanism of Dynamic Response and Residual Stress of Sheet Metal Induced by Laser Shock Wave

NASA Astrophysics Data System (ADS)

Feng, Aixin; Cao, Yupeng; Wang, Heng; Zhang, Zhengang

2018-01-01

In order to reveal the quantitative control of the residual stress on the surface of metal materials, the relevant theoretical and experimental studies were carried out to investigate the dynamic response of metal thin plates and the formation mechanism of residual stress induced by laser shock wave. In this paper, the latest research trends on the surface residual stress of laser shock processing technology were elaborated. The main progress of laser shock wave propagation mechanism and dynamic response, laser shock, and surface residual stress were discussed. It is pointed out that the multi-scale characterization of laser and material, surface residual stress and microstructure change is a new hotspot in laser shock strengthening technology.

Improving the quality of extracting dynamics from interspike intervals via a resampling approach

NASA Astrophysics Data System (ADS)

Pavlova, O. N.; Pavlov, A. N.

2018-04-01

We address the problem of improving the quality of characterizing chaotic dynamics based on point processes produced by different types of neuron models. Despite the presence of embedding theorems for non-uniformly sampled dynamical systems, the case of short data analysis requires additional attention because the selection of algorithmic parameters may have an essential influence on estimated measures. We consider how the preliminary processing of interspike intervals (ISIs) can increase the precision of computing the largest Lyapunov exponent (LE). We report general features of characterizing chaotic dynamics from point processes and show that independently of the selected mechanism for spike generation, the performed preprocessing reduces computation errors when dealing with a limited amount of data.

Variable friction device for structural control based on duo-servo vehicle brake: Modeling and experimental validation

NASA Astrophysics Data System (ADS)

Cao, Liang; Downey, Austin; Laflamme, Simon; Taylor, Douglas; Ricles, James

2015-07-01

Supplemental damping can be used as a cost-effective method to reduce structural vibrations. In particular, passive systems are now widely accepted and have numerous applications in the field. However, they are typically tuned to specific excitations and their performances are bandwidth-limited. A solution is to use semi-active devices, which have shown to be capable of substantially enhanced mitigation performance. The authors have recently proposed a new type of semi-active device, which consists of a variable friction mechanism based on a vehicle duo-servo drum brake, a mechanically robust and reliable technology. The theoretical performance of the proposed device has been previously demonstrated via numerical simulations. In this paper, we further the understanding of the device, termed Modified Friction Device (MFD) by fabricating a small scale prototype and characterizing its dynamic behavior. While the dynamics of friction is well understood for automotive braking technology, we investigate for the first time the dynamic behavior of this friction mechanism at low displacements and velocities, in both forward and backward directions, under various hydraulic pressures. A modified 3-stage dynamic model is introduced. A LuGre friction model is used to characterize the friction zone (Stage 1), and two pure stiffness regions to characterize the dynamics of the MFD once the rotation is reversed and the braking shoes are sticking to the drum (Stage 2) and the rapid build up of forces once the shoes are held by the anchor pin (Stage 3). The proposed model is identified experimentally by subjecting the prototype to harmonic excitations. It is found that the proposed model can be used to characterize the dynamics of the MFD, and that the largest fitting error arises at low velocity under low pressure input. The model is then verified by subjecting the MFD to two different earthquake excitations under different pressure inputs. The model is capable of tracking the device's response, despite a lower fitting performance under low pressure and small force output, as it was found in the harmonic tests due to the possible nonlinearity in Stage 2 of the model.

Modeling the heterogeneity of human dynamics based on the measurements of influential users in Sina Microblog

NASA Astrophysics Data System (ADS)

Wang, Chenxu; Guan, Xiaohong; Qin, Tao; Yang, Tao

2015-06-01

Online social network has become an indispensable communication tool in the information age. The development of microblog also provides us a great opportunity to study human dynamics that play a crucial role in the design of efficient communication systems. In this paper we study the characteristics of the tweeting behavior based on the data collected from Sina Microblog. The user activity level is measured to characterize how often a user posts a tweet. We find that the user activity level follows a bimodal distribution. That is, the microblog users tend to be either active or inactive. The inter-tweeting time distribution is then measured at both the aggregate and individual levels. We find that the inter-tweeting time follows a piecewise power law distribution of two tails. Furthermore, the exponents of the two tails have different correlations with the user activity level. These findings demonstrate that the dynamics of the tweeting behavior are heterogeneous in different time scales. We then develop a dynamic model co-driven by the memory and the interest mechanism to characterize the heterogeneity. The numerical simulations validate the model and verify that the short time interval tweeting behavior is driven by the memory mechanism while the long time interval behavior by the interest mechanism.

Nonlinear dynamic mechanism of vocal tremor from voice analysis and model simulations

NASA Astrophysics Data System (ADS)

Zhang, Yu; Jiang, Jack J.

2008-09-01

Nonlinear dynamic analysis and model simulations are used to study the nonlinear dynamic characteristics of vocal folds with vocal tremor, which can typically be characterized by low-frequency modulation and aperiodicity. Tremor voices from patients with disorders such as paresis, Parkinson's disease, hyperfunction, and adductor spasmodic dysphonia show low-dimensional characteristics, differing from random noise. Correlation dimension analysis statistically distinguishes tremor voices from normal voices. Furthermore, a nonlinear tremor model is proposed to study the vibrations of the vocal folds with vocal tremor. Fractal dimensions and positive Lyapunov exponents demonstrate the evidence of chaos in the tremor model, where amplitude and frequency play important roles in governing vocal fold dynamics. Nonlinear dynamic voice analysis and vocal fold modeling may provide a useful set of tools for understanding the dynamic mechanism of vocal tremor in patients with laryngeal diseases.

Ab Initio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions.

PubMed

Fu, Bina; Zhang, Dong H

2018-05-08

There has been great progress in the development of potential energy surfaces (PESs) and quantum dynamics calculations in the gas phase. The establishment of a fitting procedure for highly accurate PESs and new developments in quantum reactive scattering on reliable PESs allow accurate characterization of reaction dynamics beyond triatomic systems. This review will give the recent development in our group in constructing ab initio PESs based on neural networks and the time-dependent wave packet calculations for bimolecular reactions beyond three atoms. Bimolecular reactions of current interest to the community, namely, OH + H 2 , H + H 2 O, OH + CO, H + CH 4 , and Cl + CH 4 , are focused on. Quantum mechanical characterization of these reactions uncovers interesting dynamical phenomena with an unprecedented level of sophistication and has greatly advanced our understanding of polyatomic reaction dynamics.

In situ mechanical characterization of the cell nucleus by atomic force microscopy.

PubMed

Liu, Haijiao; Wen, Jun; Xiao, Yun; Liu, Jun; Hopyan, Sevan; Radisic, Milica; Simmons, Craig A; Sun, Yu

2014-04-22

The study of nuclear mechanical properties can provide insights into nuclear dynamics and its role in cellular mechanotransduction. While several methods have been developed to characterize nuclear mechanical properties, direct intracellular probing of the nucleus in situ is challenging. Here, a modified AFM (atomic force microscopy) needle penetration technique is demonstrated to mechanically characterize cell nuclei in situ. Cytoplasmic and nuclear stiffness were determined based on two different segments on the AFM indentation curves and were correlated with simultaneous confocal Z-stack microscopy reconstructions. On the basis of direct intracellular measurement, we show that the isolated nuclei from fibroblast-like cells exhibited significantly lower Young's moduli than intact nuclei in situ. We also show that there is in situ nucleus softening in the highly metastatic bladder cancer cell line T24 when compared to its less metastatic counterpart RT4. This technique has potential to become a reliable quantitative measurement tool for intracellular mechanics studies.

Single-Molecule Probing the Energy Landscape of Enzymatic Reaction and Non-Covalent Interactions

NASA Astrophysics Data System (ADS)

Lu, H. Peter; Hu, Dehong; Chen, Yu; Vorpagel, Erich R.

2002-03-01

We have applied single-molecule spectroscopy under physiological conditions to study the mechanisms and dynamics of T4 lysozyme enzymatic reactions, characterizing mode-specific protein conformational dynamics. Enzymatic reaction turnovers and the associated structure changes of individual protein molecules were observed simultaneously in real-time. The overall reaction rates were found to vary widely from molecule-to-molecule, and the initial non-specific binding of the enzyme to the substrate was seen to dominate this inhomogeneity. The reaction steps subsequent to the initial binding were found to have homogeneous rates. Molecular dynamics simulation has been applied to elucidate the mechanism and intermediate states of the single-molecule enzymatic reaction. Combining the analysis of single-molecule experimental trajectories, MD simulation trajectories, and statistical modeling, we have revealed the nature of multiple intermediate states involved in the active enzyme-substrate complex formation and the associated conformational change mechanism and dynamics.

Characterization of LaRC-CPI semicrystalline polyimide using thermal, dynamic mechanical and dielectric relaxation techniques

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

Rich, D.C.; Huo, P.P.; Liu, C.

1993-12-31

The thermal, dynamic mechanical, and dielectric properties of the semicrystalline thermoplastic polyimide LaRC-CPI were studied. Using differential scanning calorimetry to measure heats of fusion and WAXS to measure crystallinity, the heat of fusion of perfect crystalline LaRC-CPI was determined to be 92 {+-} 2 J/g. DMA and dielectric measurements were performed on three LaRC-CPI films (as received, annealed, and amorphous). Crystallinity was found to reinforce the rubbery state resulting in a higher modulus and broader distribution of relaxation times. Broader relaxation for the crystalline LaRC-CPI was also observed in the dielectric tests. Processing strain and the thermal history were foundmore » to have a significant impact in both dynamic mechanical and dielectric relaxation measurements.« less

Nonlinear Viscoelastic Characterization of the Porcine Spinal Cord

PubMed Central

Shetye, Snehal; Troyer, Kevin; Streijger, Femke; Lee, Jae H. T.; Kwon, Brian K.; Cripton, Peter; Puttlitz, Christian M.

2014-01-01

Although quasi-static and quasi-linear viscoelastic properties of the spinal cord have been reported previously, there are no published studies that have investigated the fully (strain-dependent) nonlinear viscoelastic properties of the spinal cord. In this study, stress relaxation experiments and dynamic cycling were performed on six fresh porcine lumbar cord specimens to examine their viscoelastic mechanical properties. The stress relaxation data were fitted to a modified superposition formulation and a novel finite ramp time correction technique was applied. The parameters obtained from this fitting methodology were used to predict the average dynamic cyclic viscoelastic behavior of the porcine cord. The data indicate that the porcine spinal cord exhibited fully nonlinear viscoelastic behavior. The average weighted RMSE for a Heaviside ramp fit was 2.8kPa, which was significantly greater (p < 0.001) than that of the nonlinear (comprehensive viscoelastic characterization (CVC) method) fit (0.365kPa). Further, the nonlinear mechanical parameters obtained were able to accurately predict the dynamic behavior, thus exemplifying the reliability of the obtained nonlinear parameters. These parameters will be important for future studies investigating various damage mechanisms of the spinal cord and studies developing high resolution finite elements models of the spine. PMID:24211612

Mechanics of ultrasound elastography

PubMed Central

Li, Guo-Yang

2017-01-01

Ultrasound elastography enables in vivo measurement of the mechanical properties of living soft tissues in a non-destructive and non-invasive manner and has attracted considerable interest for clinical use in recent years. Continuum mechanics plays an essential role in understanding and improving ultrasound-based elastography methods and is the main focus of this review. In particular, the mechanics theories involved in both static and dynamic elastography methods are surveyed. They may help understand the challenges in and opportunities for the practical applications of various ultrasound elastography methods to characterize the linear elastic, viscoelastic, anisotropic elastic and hyperelastic properties of both bulk and thin-walled soft materials, especially the in vivo characterization of biological soft tissues. PMID:28413350

Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas.

PubMed

Ilawe, Niranjan V; Oviedo, M Belén; Wong, Bryan M

2017-08-08

Using large-scale, real-time, quantum dynamics calculations, we present a detailed analysis of electronic excitation transfer (EET) mechanisms in a multiparticle plasmonic nanoantenna system. Specifically, we utilize real-time, time-dependent, density functional tight binding (RT-TDDFTB) to provide a quantum-mechanical description (at an electronic/atomistic level of detail) for characterizing and analyzing these systems, without recourse to classical approximations. We also demonstrate highly long-range electronic couplings in these complex systems and find that the range of these couplings is more than twice the conventional cutoff limit considered by Förster resonance energy transfer (FRET)-based approaches. Furthermore, we attribute these unusually long-ranged electronic couplings to the coherent oscillations of conduction electrons in plasmonic nanoparticles. This long-range nature of plasmonic interactions has important ramifications for EET; in particular, we show that the commonly used "nearest-neighbor" FRET model is inadequate for accurately characterizing EET even in simple plasmonic antenna systems. These findings provide a real-time, quantum-mechanical perspective for understanding EET mechanisms and provide guidance in enhancing plasmonic properties in artificial light-harvesting systems.

The Cold Gas-Dynamic Spray and Characterization of Microcrystalline Austenitic Stainless Steel

DTIC Science & Technology

2014-09-01

unfavorable fatigue performance [23], and reduction in elongation to fracture . While the basic mechanical properties have been surveyed in previous...North Carolina State University, 2003 Submitted in partial fulfillment of the requirements for the degree of MECHANICAL ENGINEER from...Sarath K. Menon Second Reader Garth V. Hobson Chair, Department of Mechanical and Aerospace Engineering iv THIS PAGE INTENTIONALLY LEFT BLANK

Dynamics versus thermodynamics

NASA Astrophysics Data System (ADS)

Berdichevsky, V. L.

1991-05-01

An effort is made to characterize the ways in which the approaches of statistical mechanics and thermodynamics can be useful in the study of the dynamic behavior of structures. This meditation proceeds through consideration of such wide-ranging and deliberately provocative questions as: 'What are to be considered values in a stress-distribution function?' and 'How many degrees-of-freedom has a beam?'; it then gives attention to the hierarchy of vibrations, the interaction of the mechanism of dissipation with invisible degrees of freedom, and a plausible view of vibrations for the case of small dissipation.

Dynamic strain-mediated coupling of a single diamond spin to a mechanical resonator

NASA Astrophysics Data System (ADS)

Ovartchaiyapong, Preeti; Lee, Kenneth W.; Myers, Bryan A.; Jayich, Ania C. Bleszynski

2014-07-01

The development of hybrid quantum systems is central to the advancement of emerging quantum technologies, including quantum information science and quantum-assisted sensing. The recent demonstration of high-quality single-crystal diamond resonators has led to significant interest in a hybrid system consisting of nitrogen-vacancy centre spins that interact with the resonant phonon modes of a macroscopic mechanical resonator through crystal strain. However, the nitrogen-vacancy spin-strain interaction has not been well characterized. Here, we demonstrate dynamic, strain-mediated coupling of the mechanical motion of a diamond cantilever to the spin of an embedded nitrogen-vacancy centre. Via quantum control of the spin, we quantitatively characterize the axial and transverse strain sensitivities of the nitrogen-vacancy ground-state spin. The nitrogen-vacancy centre is an atomic scale sensor and we demonstrate spin-based strain imaging with a strain sensitivity of 3 × 10-6 strain Hz-1/2. Finally, we show how this spin-resonator system could enable coherent spin-phonon interactions in the quantum regime.

Characterization of XLPE cable insulation by dynamic mechanical thermal analyzer (DMTA)

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

Parpal, J.L.; Guddemi, C.; Lamarre, L.

1996-12-31

Polymeric insulated cables and accessories are becoming widely used at voltages over 120 kV, even up to 500 kV. Although high electrical stress presents the greatest challenge, some attention should be given to the fact that the polymeric insulation is also subjected to mechanical stress which can affect the electrical performance of the high-voltage cable system. Thus, the mechanical response to an ac stress induced by oscillating electrostatic forces could be an important factor with regard to long-term degradation of polymeric insulation. This paper presents preliminary mechanical relaxation measurements on XLPE and LDPE specimens taken from unaged transmission type cables.more » Dynamic mechanical relaxation showing radial profiles of the mechanical loss tangent and tensile modulus E{prime} are presented in a temperature range of 40 to 120 C.« less

Characterization of the Dynamics of Climate Systems and Identification of Missing Mechanisms Impacting the Long Term Predictive Capabilities of Global Climate Models Utilizing Dynamical Systems Approaches to the Analysis of Observed and Modeled Climate

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

Bhatt, Uma S.; Wackerbauer, Renate; Polyakov, Igor V.

The goal of this research was to apply fractional and non-linear analysis techniques in order to develop a more complete characterization of climate change and variability for the oceanic, sea ice and atmospheric components of the Earth System. This research applied two measures of dynamical characteristics of time series, the R/S method of calculating the Hurst exponent and Renyi entropy, to observational and modeled climate data in order to evaluate how well climate models capture the long-term dynamics evident in observations. Fractional diffusion analysis was applied to ARGO ocean buoy data to quantify ocean transport. Self organized maps were appliedmore » to North Pacific sea level pressure and analyzed in ways to improve seasonal predictability for Alaska fire weather. This body of research shows that these methods can be used to evaluate climate models and shed light on climate mechanisms (i.e., understanding why something happens). With further research, these methods show promise for improving seasonal to longer time scale forecasts of climate.« less

Dynamic Response and Failure Mechanism of Brittle Rocks Under Combined Compression-Shear Loading Experiments

NASA Astrophysics Data System (ADS)

Xu, Yuan; Dai, Feng

2018-03-01

A novel method is developed for characterizing the mechanical response and failure mechanism of brittle rocks under dynamic compression-shear loading: an inclined cylinder specimen using a modified split Hopkinson pressure bar (SHPB) system. With the specimen axis inclining to the loading direction of SHPB, a shear component can be introduced into the specimen. Both static and dynamic experiments are conducted on sandstone specimens. Given carefully pulse shaping, the dynamic equilibrium of the inclined specimens can be satisfied, and thus the quasi-static data reduction is employed. The normal and shear stress-strain relationships of specimens are subsequently established. The progressive failure process of the specimen illustrated via high-speed photographs manifests a mixed failure mode accommodating both the shear-dominated failure and the localized tensile damage. The elastic and shear moduli exhibit certain loading-path dependence under quasi-static loading but loading-path insensitivity under high loading rates. Loading rate dependence is evidently demonstrated through the failure characteristics involving fragmentation, compression and shear strength and failure surfaces based on Drucker-Prager criterion. Our proposed method is convenient and reliable to study the dynamic response and failure mechanism of rocks under combined compression-shear loading.

Design of a pulsatile flow facility to evaluate thrombogenic potential of implantable cardiac devices.

PubMed

Arjunon, Sivakkumar; Ardana, Pablo Hidalgo; Saikrishnan, Neelakantan; Madhani, Shalv; Foster, Brent; Glezer, Ari; Yoganathan, Ajit P

2015-04-01

Due to expensive nature of clinical trials, implantable cardiac devices should first be extensively characterized in vitro. Prosthetic heart valves (PHVs), an important class of these devices, have been shown to be associated with thromboembolic complications. Although various in vitro systems have been designed to quantify blood-cell damage and platelet activation caused by nonphysiological hemodynamic shear stresses in these PHVs, very few systems attempt to characterize both blood damage and fluid dynamics aspects of PHVs in the same test system. Various numerical modeling methodologies are also evolving to simulate the structural mechanics, fluid mechanics, and blood damage aspects of these devices. This article presents a completely hemocompatible small-volume test-platform that can be used for thrombogenicity studies and experimental fluid mechanics characterization. Using a programmable piston pump to drive freshly drawn human blood inside a cylindrical column, the presented system can simulate various physiological and pathophysiological conditions in testing PHVs. The system includes a modular device-mounting chamber, and in this presented case, a 23 mm St. Jude Medical (SJM) Regents® mechanical heart valve (MHV) in aortic position was used as the test device. The system was validated for its capability to quantify blood damage by measuring blood damage induced by the tester itself (using freshly drawn whole human blood). Blood damage levels were ascertained through clinically relevant assays on human blood while fluid dynamics were characterized using time-resolved particle image velocimetry (PIV) using a blood-mimicking fluid. Blood damage induced by the tester itself, assessed through Thrombin-anti-Thrombin (TAT), Prothrombin factor 1.2 (PF1.2), and hemolysis (Drabkins assay), was within clinically accepted levels. The hydrodynamic performance of the tester showed consistent, repeatable physiological pressure and flow conditions. In addition, the system contains proximity sensors to accurately capture leaflet motion during the entire cardiac cycle. The PIV results showed skewing of the leakage jet, caused by the asymmetric closing of the two leaflets. All these results are critical to characterizing the blood damage and fluid dynamics characteristics of the SJM Regents® MHV, proving the utility of this tester as a precise system for assessing the hemodynamics and thrombogenicity for various PHVs.

Entraining the topology and the dynamics of a network of phase oscillators

NASA Astrophysics Data System (ADS)

Sendiña-Nadal, I.; Leyva, I.; Buldú, J. M.; Almendral, J. A.; Boccaletti, S.

2009-04-01

We show that the topology and dynamics of a network of unsynchronized Kuramoto oscillators can be simultaneously controlled by means of a forcing mechanism which yields a phase locking of the oscillators to that of an external pacemaker in connection with the reshaping of the network’s degree distribution. The entrainment mechanism is based on the addition, at regular time intervals, of unidirectional links from oscillators that follow the dynamics of a pacemaker to oscillators in the pristine graph whose phases hold a prescribed phase relationship. Such a dynamically based rule in the attachment process leads to the emergence of a power-law shape in the final degree distribution of the graph whenever the network is entrained to the dynamics of the pacemaker. We show that the arousal of a scale-free distribution in connection with the success of the entrainment process is a robust feature, characterizing different networks’ initial configurations and parameters.

Dynamic piezoresistive response of hybrid nanocomposites

NASA Astrophysics Data System (ADS)

Gbaguidi, Audrey; Anees, Muhammad; Namilae, Sirish; Kim, Daewon

2017-04-01

Hybrid nanocomposites with carbon nanotubes and graphitic platelets as fillers are known to exhibit remarkable electrical and mechanical properties with many potential strain and damage sensing applications. In this work, we fabricate hybrid nanocomposites with carbon nanotube sheet and coarse graphite platelets as fillers with epoxy matrix. We then examine the electromechanical behavior of these nanocomposites under dynamic loading. The electrical resistivity responses of the nanocomposites are measured in frequency range of 1 Hz to 50 Hz with different levels of induced strains. Axial cycling loading is applied using a uniaxial electrodynamic shaker, and transverse loading is applied on end-clamped specimen using modified speakers. In addition, a dynamic mechanical analysis of nanocomposite specimen is performed to characterize the thermal and dynamic behavior of the nanocomposite. Our results indicate that these hybrid nanocomposites exhibit a distinct piezoresistive response under a wide range of dynamic loading conditions, which can be beneficial for potential sensing applications.

Effects of high energy radiation on the mechanical properties of epoxy/graphite fiber reinforced composites

NASA Technical Reports Server (NTRS)

Fornes, R. E.; Gilbert, R. D.; Memory, J. D.

1986-01-01

The epoxy resin system formed by tetraglycidyl 4,4'-diamino diphenyl methane (TGDDM) and 4,4'-diamino diphenyl sulfone (DDS) was characterized by dynamic mechanical analysis and differential scanning calorimetry. Dynamic mechanical properties of graphite fiber epoxy composite specimens formulated with two different adhesive systems (NARMCO 5208, NARMCO 5209) were determined. The specimens were exposed to varying dose levels of ionizing radiation (0.5 MeV electrons) with a maximum absorbed dose of 10,000 Mrads. Following irradiation, property measurements were made to assess the influence of radiation on the epoxy and composite specimens. The results established that ionizing radiation has a limited effect on the properties of epoxy and composite specimens.

Comportement dynamique d'alliages a memoire de forme et application aux composites-AMF

NASA Astrophysics Data System (ADS)

de Santis, Silvio

Meeting current industrial, governmental and international standards regarding vibration and noise levels is a challenging task facing many engineers. These specifications are present in just about all fields of engineering, from aerospace to marine transportation, from automotive to railway transportation, from computer equipment to industrial working environments. An appropriate use of the remarkable properties of high damping metals (HIDAMETS) and shape memory alloy (SMA) reinforced composites emerges as a possible solution to these problems. Among many obstacles to overcome in developing such a technology, the implementation of reliable and adequate characterization techniques to determine dynamic properties of these materials appears to be of prime importance. The research efforts presented in this thesis are aimed at developing advanced techniques to characterize the dynamic behavior of HIDAMETS and SMA reinforced composites. These characterization results lead to the enhancement of numerical (finite element) and/or analytical methods for the simulation of dynamic responses of structures made of these materials. In particular, the research work has focused on three themes: the numerical and experimental validation of applying a characterization procedure developed for traditional composites to SMA reinforced composites; the development of a test bench for uniaxial hysteresis characterization of HIDAMETS in the medium frequency range; the hysteresis characterization and modeling of manganese copper (MnCu) and nickel titanium samples. The results obtained in the course of these efforts show that the characterization technique developed for traditional composites at the University of Brussels is sufficiently precise to successfully predict natural frequencies of complex SMA reinforced composite structures. Using the characterization to predict structural damping ratios, we observe a bias error in the prediction with respect to experimental results although the relative values between modes are consistent. Regarding the development of the test bench for uniaxial hysteresis characterization of HIDAMETS, results suggest that with the introduction of a few minor enhancements and with particular experimental precautions, the test bench can play an important role in characterizing HIDAMETS dynamic properties at various frequencies and strain amplitudes and in understanding micro mechanical mechanisms responsible for energy dissipation. Finally, uniaxial hysteresis loops and related parameters have been obtained with MnCu and NiTi samples. A material model based on dual kriging interpolation that expresses the tangent stiffness along these hysteresis loops as a function of strain and strain amplitude has also been developed.

Dynamic characterization of Galfenol

NASA Astrophysics Data System (ADS)

Scheidler, Justin J.; Asnani, Vivake M.; Deng, Zhangxian; Dapino, Marcelo J.

2015-04-01

A novel and precise characterization of the constitutive behavior of solid and laminated research-grade, polycrystalline Galfenol (Fe81:6Ga18:4) under under quasi-static (1 Hz) and dynamic (4 to 1000 Hz) stress loadings was recently conducted by the authors. This paper summarizes the characterization by focusing on the experimental design and the dynamic sensing response of the solid Galfenol specimen. Mechanical loads are applied using a high frequency load frame. The dynamic stress amplitude for minor and major loops is 2.88 and 31.4 MPa, respectively. Dynamic minor and major loops are measured for the bias condition resulting in maximum, quasi-static sensitivity. Three key sources of error in the dynamic measurements are accounted for: (1) electromagnetic noise in strain signals due to Galfenol's magnetic response, (2) error in load signals due to the inertial force of fixturing, and (3) time delays imposed by conditioning electronics. For dynamic characterization, strain error is kept below 1.2 % of full scale by wiring two collocated gauges in series (noise cancellation) and through lead wire weaving. Inertial force error is kept below 0.41 % by measuring the dynamic force in the specimen using a nearly collocated piezoelectric load washer. The phase response of all conditioning electronics is explicitly measured and corrected for. In general, as frequency increases, the sensing response becomes more linear due to an increase in eddy currents. The location of positive and negative saturation is the same at all frequencies. As frequency increases above about 100 Hz, the elbow in the strain versus stress response disappears as the active (soft) regime stiffens toward the passive (hard) regime.

Dynamic Characterization of Galfenol

NASA Technical Reports Server (NTRS)

Scheidler, Justin; Asnani, Vivake M.; Deng, Zhangxian; Dapino, Marcelo J.

2015-01-01

A novel and precise characterization of the constitutive behavior of solid and laminated research-grade, polycrystalline Galfenol (Fe81:6Ga18:4) under under quasi-static (1 Hz) and dynamic (4 to 1000 Hz) stress loadings was recently conducted by the authors. This paper summarizes the characterization by focusing on the experimental design and the dynamic sensing response of the solid Galfenol specimen. Mechanical loads are applied using a high frequency load frame. The dynamic stress amplitude for minor and major loops is 2.88 and 31.4 MPa, respectively. Dynamic minor and major loops are measured for the bias condition resulting in maximum, quasi-static sensitivity. Three key sources of error in the dynamic measurements are accounted for: (1) electromagnetic noise in strain signals due to Galfenol's magnetic response, (2) error in load signals due to the inertial force of fixturing, and (3) time delays imposed by conditioning electronics. For dynamic characterization, strain error is kept below 1.2 % of full scale by wiring two collocated gauges in series (noise cancellation) and through lead wire weaving. Inertial force error is kept below 0.41 % by measuring the dynamic force in the specimen using a nearly collocated piezoelectric load washer. The phase response of all conditioning electronics is explicitly measured and corrected for. In general, as frequency increases, the sensing response becomes more linear due to an increase in eddy currents. The location of positive and negative saturation is the same at all frequencies. As frequency increases above about 100 Hz, the elbow in the strain versus stress response disappears as the active (soft) regime stiffens toward the passive (hard) regime.

Modeling of dielectric elastomer as electromechanical resonator

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

Li, Bo, E-mail: liboxjtu@mail.xjtu.edu.cn; Liu, Lei; Chen, Hualing

Dielectric elastomers (DEs) feature nonlinear dynamics resulting from an electromechanical coupling. Under alternating voltage, the DE resonates with tunable performances. We present an analysis of the nonlinear dynamics of a DE as electromechanical resonator (DEER) configured as a pure shear actuator. A theoretical model is developed to characterize the complex performance under different boundary conditions. Physical mechanisms are presented and discussed. Chaotic behavior is also predicted, illustrating instabilities in the dynamics. The results provide a guide to the design and application of DEER in haptic devices.

Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

NASA Astrophysics Data System (ADS)

Cazade, Pierre-André; Tran, Halina; Bereau, Tristan; Das, Akshaya K.; Kläsi, Felix; Hamm, Peter; Meuwly, Markus

2015-06-01

The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF-HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

Midfrontal Theta and Posterior Parietal Alpha Band Oscillations Support Conflict Resolution in a Masked Affective Priming Task.

PubMed

Jiang, Jun; Bailey, Kira; Xiao, Xiao

2018-01-01

Past attempts to characterize the neural mechanisms of affective priming have conceptualized it in terms of classic cognitive conflict, but have not examined the neural oscillatory mechanisms of subliminal affective priming. Using behavioral and electroencephalogram (EEG) time frequency (TF) analysis, the current study examines the oscillatory dynamics of unconsciously triggered conflict in an emotional facial expressions version of the masked affective priming task. The results demonstrate that the power dynamics of conflict are characterized by increased midfrontal theta activity and suppressed parieto-occipital alpha activity. Across-subject and within-trial correlation analyses further confirmed this pattern. Phase synchrony and Granger causality analyses (GCAs) revealed that the fronto-parietal network was involved in unconscious conflict detection and resolution. Our findings support a response conflict account of affective priming, and reveal the role of the fronto-parietal network in unconscious conflict control.

Dynamic Mechanical Properties and Fracture Surface Morphologies of Core-Shell Rubber (CSR) Toughened Epoxy at Liquid Nitrogen (Ln2) Temperatures

NASA Technical Reports Server (NTRS)

Wang, J.; Magee, D.; Schneider, J. A.

2009-01-01

The dynamic mechanical properties and fracture surface morphologies were evaluated for a commercial epoxy resin toughened with two types of core-shell rubber (CSR) toughening agents (Kane Ace(Registered TradeMark) MX130 and MX960). The impact resistance (R) was evaluated by the resulting breaking energy measured in Charpy impact tests conducted on an instrumented drop tower. The resulting fracture surface morphologies were examined using Scanning Electron Microscopy (SEM). Fractographic observations of the CSR toughened epoxy tested at ambient temperature, showed a fracture as characterized by slender dendrite textures with large voids. The increasing number of dendrites and decreasing size of scale-like texture with more CSR particles corresponded with increased R. As the temperature decreased to Liquid Nitrogen (LN 2), the fracture surfaces showed a fracture characterized by a rough, torn texture containing many river markings and deep furrows.

Dynamic mechanical properties of hydroxyapatite/polyethylene oxide nanocomposites: characterizing isotropic and post-processing microstructures

NASA Astrophysics Data System (ADS)

Shofner, Meisha; Lee, Ji Hoon

2012-02-01

Compatible component interfaces in polymer nanocomposites can be used to facilitate a dispersed morphology and improved physical properties as has been shown extensively in experimental results concerning amorphous matrix nanocomposites. In this research, a block copolymer compatibilized interface is employed in a semi-crystalline matrix to prevent large scale nanoparticle clustering and enable microstructure construction with post-processing drawing. The specific materials used are hydroxyapatite nanoparticles coated with a polyethylene oxide-b-polymethacrylic acid block copolymer and a polyethylene oxide matrix. Two particle shapes are used: spherical and needle-shaped. Characterization of the dynamic mechanical properties indicated that the two nanoparticle systems provided similar levels of reinforcement to the matrix. For the needle-shaped nanoparticles, the post-processing step increased matrix crystallinity and changed the thermomechanical reinforcement trends. These results will be used to further refine the post-processing parameters to achieve a nanocomposite microstructure with triangulated arrays of nanoparticles.

Theoretical approaches for dynamical ordering of biomolecular systems.

PubMed

Okumura, Hisashi; Higashi, Masahiro; Yoshida, Yuichiro; Sato, Hirofumi; Akiyama, Ryo

2018-02-01

Living systems are characterized by the dynamic assembly and disassembly of biomolecules. The dynamical ordering mechanism of these biomolecules has been investigated both experimentally and theoretically. The main theoretical approaches include quantum mechanical (QM) calculation, all-atom (AA) modeling, and coarse-grained (CG) modeling. The selected approach depends on the size of the target system (which differs among electrons, atoms, molecules, and molecular assemblies). These hierarchal approaches can be combined with molecular dynamics (MD) simulation and/or integral equation theories for liquids, which cover all size hierarchies. We review the framework of quantum mechanical/molecular mechanical (QM/MM) calculations, AA MD simulations, CG modeling, and integral equation theories. Applications of these methods to the dynamical ordering of biomolecular systems are also exemplified. The QM/MM calculation enables the study of chemical reactions. The AA MD simulation, which omits the QM calculation, can follow longer time-scale phenomena. By reducing the number of degrees of freedom and the computational cost, CG modeling can follow much longer time-scale phenomena than AA modeling. Integral equation theories for liquids elucidate the liquid structure, for example, whether the liquid follows a radial distribution function. These theoretical approaches can analyze the dynamic behaviors of biomolecular systems. They also provide useful tools for exploring the dynamic ordering systems of biomolecules, such as self-assembly. This article is part of a Special Issue entitled "Biophysical Exploration of Dynamical Ordering of Biomolecular Systems" edited by Dr. Koichi Kato. Copyright © 2017 Elsevier B.V. All rights reserved.

Cognitive Network Modeling as a Basis for Characterizing Human Communication Dynamics and Belief Contagion in Technology Adoption

NASA Technical Reports Server (NTRS)

Hutto, Clayton; Briscoe, Erica; Trewhitt, Ethan

2012-01-01

Societal level macro models of social behavior do not sufficiently capture nuances needed to adequately represent the dynamics of person-to-person interactions. Likewise, individual agent level micro models have limited scalability - even minute parameter changes can drastically affect a model's response characteristics. This work presents an approach that uses agent-based modeling to represent detailed intra- and inter-personal interactions, as well as a system dynamics model to integrate societal-level influences via reciprocating functions. A Cognitive Network Model (CNM) is proposed as a method of quantitatively characterizing cognitive mechanisms at the intra-individual level. To capture the rich dynamics of interpersonal communication for the propagation of beliefs and attitudes, a Socio-Cognitive Network Model (SCNM) is presented. The SCNM uses socio-cognitive tie strength to regulate how agents influence--and are influenced by--one another's beliefs during social interactions. We then present experimental results which support the use of this network analytical approach, and we discuss its applicability towards characterizing and understanding human information processing.

Growth plate cartilage shows different strain patterns in response to static versus dynamic mechanical modulation.

PubMed

Kaviani, Rosa; Londono, Irene; Parent, Stefan; Moldovan, Florina; Villemure, Isabelle

2016-08-01

Longitudinal growth of long bones and vertebrae occurs in growth plate cartilage. This process is partly regulated by mechanical forces, which are one of the underlying reasons for progression of growth deformities such as idiopathic adolescent scoliosis and early-onset scoliosis. This concept of mechanical modulation of bone growth is also exploited in the development of fusionless treatments of these deformities. However, the optimal loading condition for the mechanical modulation of growth plate remains to be identified. The objective of this study was to evaluate the effects of in vitro static versus dynamic modulation and of dynamic loading parameters, such as frequency and amplitude, on the mechanical responses and histomorphology of growth plate explants. Growth plate explants from distal ulnae of 4-week-old swines were extracted and randomly distributed among six experimental groups: baseline ([Formula: see text]), control ([Formula: see text]), static ([Formula: see text]) and dynamic ([Formula: see text]). For static and dynamic groups, mechanical modulation was performed in vitro using an Indexed CartiGen bioreactor. A stress relaxation test combined with confocal microscopy and digital image correlation was used to characterize the mechanical responses of each explant in terms of peak stress, equilibrium stress, equilibrium modulus of elasticity and strain pattern. Histomorphometrical measurements were performed on toluidine blue tissue sections using a semi-automatic custom-developed MATLAB toolbox. Results suggest that compared to dynamic modulation, static modulation changes the strain pattern of the tissue and thus is more detrimental for tissue biomechanics, while the histomorphological parameters are not affected by mechanical modulation. Also, under dynamic modulation, changing the frequency or amplitude does not affect the biomechanical response of the tissue. Results of this study will be useful in finding optimal and non-damaging parameters for the mechanical modulation of growth plate in fusionless treatments.

Characterization of tissue biomechanics and mechanical signaling in uterine leiomyoma☆

PubMed Central

Norian, John M.; Owen, Carter M.; Taboas, Juan; Korecki, Casey; Tuan, Rocky; Malik, Minnie; Catherino, William H.; Segars, James H.

2012-01-01

Leiomyoma are common tumors arising within the uterus that feature excessive deposition of a stiff, disordered extracellular matrix (ECM). Mechanical stress is a critical determinant of excessive ECM deposition and increased mechanical stress has been shown to be involved in tumorigenesis. Here we tested the viscoelastic properties of leiomyoma and characterized dynamic and static mechanical signaling in leiomyoma cells using three approaches, including measurement of active RhoA. We found that the peak strain and pseudo-dynamic modulus of leiomyoma tissue was significantly increased relative to matched myometrium. In addition, leiomyoma cells demonstrated an attenuated response to applied cyclic uniaxial strain and to variation in substrate stiffness, relative to myometrial cells. However, on a flexible pronectin-coated silicone substrate, basal levels and lysophosphatidic acid-stimulated levels of activated RhoA were similar between leiomyoma and myometrial cells. In contrast, leiomyoma cells plated on a rigid polystyrene substrate had elevated levels of active RhoA, compared to myometrial cells. The results indicate that viscoelastic properties of the ECM of leiomyoma contribute significantly to the tumor’s inherent stiffness and that leiomyoma cells have an attenuated sensitivity to mechanical cues. The findings suggest there may be a fundamental alteration in the communication between the external mechanical environment (extracellular forces) and reorganization of the actin cytoskeleton mediated by RhoA in leiomyoma cells. Additional research will be needed to elucidate the mechanism(s) responsible for the attenuated mechanical signaling in leiomyoma cells. PMID:21983114

Multivariable Dynamic Ankle Mechanical Impedance With Active Muscles

PubMed Central

Lee, Hyunglae; Krebs, Hermano Igo; Hogan, Neville

2015-01-01

Multivariable dynamic ankle mechanical impedance in two coupled degrees-of-freedom (DOFs) was quantified when muscles were active. Measurements were performed at five different target activation levels of tibialis anterior and soleus, from 10% to 30% of maximum voluntary contraction (MVC) with increments of 5% MVC. Interestingly, several ankle behaviors characterized in our previous study of the relaxed ankle were observed with muscles active: ankle mechanical impedance in joint coordinates showed responses largely consistent with a second-order system consisting of inertia, viscosity, and stiffness; stiffness was greater in the sagittal plane than in the frontal plane at all activation conditions for all subjects; and the coupling between dorsiflexion–plantarflexion and inversion–eversion was small—the two DOF measurements were well explained by a strictly diagonal impedance matrix. In general, ankle stiffness increased linearly with muscle activation in all directions in the 2-D space formed by the sagittal and frontal planes, but more in the sagittal than in the frontal plane, resulting in an accentuated “peanut shape.” This characterization of young healthy subjects’ ankle mechanical impedance with active muscles will serve as a baseline to investigate pathophysiological ankle behaviors of biomechanically and/or neurologically impaired patients. PMID:25203497

Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat

DTIC Science & Technology

2013-04-01

DTRA-TR-13-23 Synthesis, Characterization, and Multimillion -Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat Approved for...reagents for the destruction of biologically active materials and a simulation of their reactions on a multimillion atom scale with quantum...explosives for destruction of chemical & biological agents. Multimillion -atom molecular dynamics simulations with quantum mechanical accuracy were

Wigner flow reveals topological order in quantum phase space dynamics.

PubMed

Steuernagel, Ole; Kakofengitis, Dimitris; Ritter, Georg

2013-01-18

The behavior of classical mechanical systems is characterized by their phase portraits, the collections of their trajectories. Heisenberg's uncertainty principle precludes the existence of sharply defined trajectories, which is why traditionally only the time evolution of wave functions is studied in quantum dynamics. These studies are quite insensitive to the underlying structure of quantum phase space dynamics. We identify the flow that is the quantum analog of classical particle flow along phase portrait lines. It reveals hidden features of quantum dynamics and extra complexity. Being constrained by conserved flow winding numbers, it also reveals fundamental topological order in quantum dynamics that has so far gone unnoticed.

Nondestructive Complete Mechanical Characterization of Zinc Blende and Wurtzite GaAs Nanowires Using Time-Resolved Pump-Probe Spectroscopy.

PubMed

Mante, Pierre-Adrien; Lehmann, Sebastian; Anttu, Nicklas; Dick, Kimberly A; Yartsev, Arkady

2016-08-10

We have developed and demonstrated an experimental method, based on the picosecond acoustics technique, to perform nondestructive complete mechanical characterization of nanowires, that is, the determination of the complete elasticity tensor. By means of femtosecond pump-probe spectroscopy, coherent acoustic phonons were generated in an ensemble of nanowires and their dynamics was resolved. Specific phonon modes were identified and the detection mechanism was addressed via wavelength dependent experiments. We calculated the exact phonon dispersion relation of the nanowires by fitting the experimentally observed frequencies, thus allowing the extraction of the complete elasticity tensor. The elasticity tensor and the nanowire diameter were determined for zinc blende GaAs nanowires and were found to be in a good agreement with literature data and independent measurements. Finally, we have applied this technique to characterize wurtzite GaAs nanowires, a metastable phase in bulk, for which no experimental values of elastic constants are currently available. Our results agree well with previous first principle calculations. The proposed approach to the complete and nondestructive mechanical characterization of nanowires will allow the efficient mechanical study of new crystal phases emerging in nanostructures, as well as size-dependent properties of nanostructured materials.

Analytical Ultrasonics in Materials Research and Testing

NASA Technical Reports Server (NTRS)

Vary, A.

1986-01-01

Research results in analytical ultrasonics for characterizing structural materials from metals and ceramics to composites are presented. General topics covered by the conference included: status and advances in analytical ultrasonics for characterizing material microstructures and mechanical properties; status and prospects for ultrasonic measurements of microdamage, degradation, and underlying morphological factors; status and problems in precision measurements of frequency-dependent velocity and attenuation for materials analysis; procedures and requirements for automated, digital signal acquisition, processing, analysis, and interpretation; incentives for analytical ultrasonics in materials research and materials processing, testing, and inspection; and examples of progress in ultrasonics for interrelating microstructure, mechanical properites, and dynamic response.

Shear wave induced resonance elastography of spherical masses with polarized torsional waves

NASA Astrophysics Data System (ADS)

Hadj Henni, Anis; Schmitt, Cédric; Trop, Isabelle; Cloutier, Guy

2012-03-01

Shear wave induced resonance (SWIR) is a technique for dynamic ultrasound elastography of confined mechanical inclusions. It was developed for breast tumor imaging and tissue characterization. This method relies on the polarization of torsional shear waves modeled with the Helmholtz equation in spherical coordinates. To validate modeling, an invitro set-up was used to measure and image the first three eigenfrequencies and eigenmodes of a soft sphere. A preliminary invivo SWIR measurement on a breast fibroadenoma is also reported. Results revealed the potential of SWIR elastography to detect and mechanically characterize breast lesions for early cancer detection.

Shear wave induced resonance elastography of spherical masses with polarized torsional waves.

PubMed

Henni, Anis Hadj; Schmitt, Cédric; Trop, Isabelle; Cloutier, Guy

2012-03-26

Shear Wave Induced Resonance (SWIR) is a technique for dynamic ultrasound elastography of confined mechanical inclusions. It was developed for breast tumor imaging and tissue characterization. This method relies on the polarization of torsional shear waves modeled with the Helmholtz equation in spherical coordinates. To validate modeling, an in vitro set-up was used to measure and image the first three eigenfrequencies and eigenmodes of a soft sphere. A preliminary in vivo SWIR measurement on a breast fibroadenoma is also reported. Results revealed the potential of SWIR elastography to detect and mechanically characterize breast lesions for early cancer detection.

Atomistic characterization of the active-site solvation dynamics of a model photocatalyst

DOE PAGES

van Driel, Tim B.; Kjær, Kasper S.; Hartsock, Robert W.; ...

2016-11-28

The interactions between the reactive excited state of molecular photocatalysts and surrounding solvent dictate reaction mechanisms and pathways, but are not readily accessible to conventional optical spectroscopic techniques. Here we report an investigation of the structural and solvation dynamics following excitation of a model photocatalytic molecular system [Ir 2(dimen) 4] 2+, where dimen is para-diisocyanomenthane. The time-dependent structural changes in this model photocatalyst, as well as the changes in the solvation shell structure, have been measured with ultrafast diffuse X-ray scattering and simulated with Born-Oppenheimer Molecular Dynamics. Both methods provide direct access to the solute–solvent pair distribution function, enabling themore » solvation dynamics around the catalytically active iridium sites to be robustly characterized. Our results provide evidence for the coordination of the iridium atoms by the acetonitrile solvent and demonstrate the viability of using diffuse X-ray scattering at free-electron laser sources for studying the dynamics of photocatalysis.« less

Dispersion and characterization of Thermoplastic Polyurethane/Multiwalled Carbon Nanotubes in co-rotative twin screw extruder

NASA Astrophysics Data System (ADS)

Benedito, Adolfo; Buezas, Ignacio; Giménez, Enrique; Galindo, Begoña

2010-06-01

The dispersion of multi-walled carbon nanotubes in thermoplastic polyurethanes has been done in co-rotative twin screw extruder through a melt blending process. A specific experimental design was prepared taking into account different compounding parameters such as feeding, temperature profile, screw speed, screw design, and carbon nanotube loading. The obtained samples were characterized by thermogravimetric analysis (TGA), light transmission microscopy, dynamic rheometry, and dynamic mechanical analysis. The objective of this work has been to study the dispersion quality of the carbon nanotubes and the effect of different compounding parameters to optimize them for industrial scale-up to final applications.

Modeling and simulation of combustion chamber and propellant dynamics and issues in active control of combustion instabilities

NASA Astrophysics Data System (ADS)

Isella, Giorgio Carlo

A method for a comprehensive approach to analysis of the dynamics of an actively controlled combustion chamber, with detailed analysis of the combustion models for the case of a solid rocket propellant, is presented here. The objective is to model the system as interconnected blocks describing the dynamics of the chamber, combustion and control. The analytical framework for the analysis of the dynamics of a combustion chamber is based on spatial averaging, as introduced by Culick. Combustion dynamics are analyzed for the case of a solid propellant. Quasi-steady theory is extended to include the dynamics of the gas-phase and also of a surface layer. The models are constructed so that they produce a combustion response function for the solid propellant that can be immediately introduced in the our analytical framework. The principal objective mechanisms responsible for the large sensitivity, observed experimentally, of propellant response to small variations. We show that velocity coupling, and not pressure coupling, has the potential to be the mechanism responsible for that high sensitivity. We also discuss the effect of particulate modeling on the global dynamics of the chamber and revisit the interpretation of the intrinsic stability limit for burning of solid propellants. Active control is also considered. Particular attention is devoted to the effect of time delay (between sensing and actuation); several methods to compensate for it are discussed, with numerical examples based on the approximate analysis produced by our framework. Experimental results are presented for the case of a Dump Combustor. The combustor exhibits an unstable burning mode, defined through the measurement of the pressure trace and shadowgraph imaging. The transition between stable and unstable modes of operation is characterized by the presence of hysteresis, also observed in other experimental works, and hence not a special characteristic of this combustor. Control is introduced in the form of pulsed secondary fuel. We show the capability of forcing the transition from unstable to stable burning, hence extending the stable operating regime of the combustor. The transition, characterized by the use of a shadowgraph movie sequence, is attributed to a combined fluid-mechanic and combustion mechanism.

The use of DMA to characterize the aging of asphalt binders.

DOT National Transportation Integrated Search

2010-06-01

This report presents issues associated with long-term aging of polymer modified asphalt cements (PMACs) as : reflected by dynamic mechanical analysis (DMA) data. In this study a standard SBS (styrene-butadiene-styrene block : copolymer) polymer modif...

Emergence of dynamic cooperativity in the stochastic kinetics of fluctuating enzymes

NASA Astrophysics Data System (ADS)

Kumar, Ashutosh; Chatterjee, Sambarta; Nandi, Mintu; Dua, Arti

2016-08-01

Dynamic co-operativity in monomeric enzymes is characterized in terms of a non-Michaelis-Menten kinetic behaviour. The latter is believed to be associated with mechanisms that include multiple reaction pathways due to enzymatic conformational fluctuations. Recent advances in single-molecule fluorescence spectroscopy have provided new fundamental insights on the possible mechanisms underlying reactions catalyzed by fluctuating enzymes. Here, we present a bottom-up approach to understand enzyme turnover kinetics at physiologically relevant mesoscopic concentrations informed by mechanisms extracted from single-molecule stochastic trajectories. The stochastic approach, presented here, shows the emergence of dynamic co-operativity in terms of a slowing down of the Michaelis-Menten (MM) kinetics resulting in negative co-operativity. For fewer enzymes, dynamic co-operativity emerges due to the combined effects of enzymatic conformational fluctuations and molecular discreteness. The increase in the number of enzymes, however, suppresses the effect of enzymatic conformational fluctuations such that dynamic co-operativity emerges solely due to the discrete changes in the number of reacting species. These results confirm that the turnover kinetics of fluctuating enzyme based on the parallel-pathway MM mechanism switches over to the single-pathway MM mechanism with the increase in the number of enzymes. For large enzyme numbers, convergence to the exact MM equation occurs in the limit of very high substrate concentration as the stochastic kinetics approaches the deterministic behaviour.

Emergence of dynamic cooperativity in the stochastic kinetics of fluctuating enzymes.

PubMed

Kumar, Ashutosh; Chatterjee, Sambarta; Nandi, Mintu; Dua, Arti

2016-08-28

Dynamic co-operativity in monomeric enzymes is characterized in terms of a non-Michaelis-Menten kinetic behaviour. The latter is believed to be associated with mechanisms that include multiple reaction pathways due to enzymatic conformational fluctuations. Recent advances in single-molecule fluorescence spectroscopy have provided new fundamental insights on the possible mechanisms underlying reactions catalyzed by fluctuating enzymes. Here, we present a bottom-up approach to understand enzyme turnover kinetics at physiologically relevant mesoscopic concentrations informed by mechanisms extracted from single-molecule stochastic trajectories. The stochastic approach, presented here, shows the emergence of dynamic co-operativity in terms of a slowing down of the Michaelis-Menten (MM) kinetics resulting in negative co-operativity. For fewer enzymes, dynamic co-operativity emerges due to the combined effects of enzymatic conformational fluctuations and molecular discreteness. The increase in the number of enzymes, however, suppresses the effect of enzymatic conformational fluctuations such that dynamic co-operativity emerges solely due to the discrete changes in the number of reacting species. These results confirm that the turnover kinetics of fluctuating enzyme based on the parallel-pathway MM mechanism switches over to the single-pathway MM mechanism with the increase in the number of enzymes. For large enzyme numbers, convergence to the exact MM equation occurs in the limit of very high substrate concentration as the stochastic kinetics approaches the deterministic behaviour.

Emergence of dynamic cooperativity in the stochastic kinetics of fluctuating enzymes

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

Kumar, Ashutosh; Chatterjee, Sambarta; Nandi, Mintu

Dynamic co-operativity in monomeric enzymes is characterized in terms of a non-Michaelis-Menten kinetic behaviour. The latter is believed to be associated with mechanisms that include multiple reaction pathways due to enzymatic conformational fluctuations. Recent advances in single-molecule fluorescence spectroscopy have provided new fundamental insights on the possible mechanisms underlying reactions catalyzed by fluctuating enzymes. Here, we present a bottom-up approach to understand enzyme turnover kinetics at physiologically relevant mesoscopic concentrations informed by mechanisms extracted from single-molecule stochastic trajectories. The stochastic approach, presented here, shows the emergence of dynamic co-operativity in terms of a slowing down of the Michaelis-Menten (MM) kineticsmore » resulting in negative co-operativity. For fewer enzymes, dynamic co-operativity emerges due to the combined effects of enzymatic conformational fluctuations and molecular discreteness. The increase in the number of enzymes, however, suppresses the effect of enzymatic conformational fluctuations such that dynamic co-operativity emerges solely due to the discrete changes in the number of reacting species. These results confirm that the turnover kinetics of fluctuating enzyme based on the parallel-pathway MM mechanism switches over to the single-pathway MM mechanism with the increase in the number of enzymes. For large enzyme numbers, convergence to the exact MM equation occurs in the limit of very high substrate concentration as the stochastic kinetics approaches the deterministic behaviour.« less

Characterization of high-intensity, long-duration continuous auroral activity (HILDCAA) events using recurrence quantification analysis

NASA Astrophysics Data System (ADS)

Mendes, Odim; Oliveira Domingues, Margarete; Echer, Ezequiel; Hajra, Rajkumar; Everton Menconi, Varlei

2017-08-01

Considering the magnetic reconnection and the viscous interaction as the fundamental mechanisms for transfer particles and energy into the magnetosphere, we study the dynamical characteristics of auroral electrojet (AE) index during high-intensity, long-duration continuous auroral activity (HILDCAA) events, using a long-term geomagnetic database (1975-2012), and other distinct interplanetary conditions (geomagnetically quiet intervals, co-rotating interaction regions (CIRs)/high-speed streams (HSSs) not followed by HILDCAAs, and events of AE comprised in global intense geomagnetic disturbances). It is worth noting that we also study active but non-HILDCAA intervals. Examining the geomagnetic AE index, we apply a dynamics analysis composed of the phase space, the recurrence plot (RP), and the recurrence quantification analysis (RQA) methods. As a result, the quantification finds two distinct clusterings of the dynamical behaviours occurring in the interplanetary medium: one regarding a geomagnetically quiet condition regime and the other regarding an interplanetary activity regime. Furthermore, the HILDCAAs seem unique events regarding a visible, intense manifestations of interplanetary Alfvénic waves; however, they are similar to the other kinds of conditions regarding a dynamical signature (based on RQA), because it is involved in the same complex mechanism of generating geomagnetic disturbances. Also, by characterizing the proper conditions of transitions from quiescent conditions to weaker geomagnetic disturbances inside the magnetosphere and ionosphere system, the RQA method indicates clearly the two fundamental dynamics (geomagnetically quiet intervals and HILDCAA events) to be evaluated with magneto-hydrodynamics simulations to understand better the critical processes related to energy and particle transfer into the magnetosphere-ionosphere system. Finally, with this work, we have also reinforced the potential applicability of the RQA method for characterizing nonlinear geomagnetic processes related to the magnetic reconnection and the viscous interaction affecting the magnetosphere.

Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes.

PubMed

Kang, Myungshim; Chakraborty, Kaushik; Loverde, Sharon M

2018-06-25

We report here on long-time all-atomistic molecular dynamics simulations of functional supramolecular nanotubes composed by the self-assembly of peptide-drug amphiphiles (DAs). These DAs have been shown to possess an inherently high drug loading of the hydrophobic anticancer drug camptothecin. We probe the self-assembly mechanism from random with ∼0.4 μs molecular dynamics simulations. Furthermore, we also computationally characterize the interfacial structure, directionality of π-π stacking, and water dynamics within several peptide-drug nanotubes with diameters consistent with the reported experimental nanotube diameter. Insight gained should inform the future design of these novel anticancer drug delivery systems.

A Novel Physical Sensing Principle for Liquid Characterization Using Paper-Based Hygro-Mechanical Systems (PB-HMS).

PubMed

Perez-Cruz, Angel; Stiharu, Ion; Dominguez-Gonzalez, Aurelio

2017-07-20

In recent years paper-based microfluidic systems have emerged as versatile tools for developing sensors in different areas. In this work; we report a novel physical sensing principle for the characterization of liquids using a paper-based hygro-mechanical system (PB-HMS). The PB-HMS is formed by the interaction of liquid droplets and paper-based mini-structures such as cantilever beams. The proposed principle takes advantage of the hygroscopic properties of paper to produce hygro-mechanical motion. The dynamic response of the PB-HMS reveals information about the tested liquid that can be applied to characterize certain properties of liquids. A suggested method to characterize liquids by means of the proposed principle is introduced. The experimental results show the feasibility of such a method. It is expected that the proposed principle may be applied to sense properties of liquids in different applications where both disposability and portability are of extreme importance.

On the dynamic behavior of mineralized tissues

NASA Astrophysics Data System (ADS)

Kulin, Robb Michael

Mineralized tissues, such as bone and antler, are complex hierarchical materials that have adapted over millennia to optimize strength and fracture resistance for their in vivo applications. As a structural support, skeletal bone primarily acts as a rigid framework that is resistant to fracture, and able to repair damage and adapt to sustained loads during its lifetime. Antler is typically deciduous and subjected to large bending moments and violent impacts during its annual cycle. To date, extensive characterization of the quasi-static mechanical properties of these materials has been performed. However, very little has been done to characterize their dynamic properties, despite the fact that the majority of failures in these materials occur under impact loads. Here, an in depth analysis of the dynamic mechanical behavior of these two materials is presented, using equine bone obtained post-mortem from donors ranging in age from 6 months to 28 years, and antler from the North American Elk. Specimens were tested under compressive strain rates of 10-3, 100, and 103 sec-1 in order to investigate their strain rate dependent compressive response. Fracture toughness experiments were performed using a four-point bending geometry on single and double-notch specimens in order to measure fracture toughness, as well as observe differences in crack propagation between dynamic (˜2x105 MPa˙m1/2/s) and quasi-static (˜0.25 MPa˙m1/2/s) loading rates. After testing, specimens were analyzed using a combination of optical, electron and confocal microscopy. Results indicated that the mechanical response of these materials is highly dependent on loading rate. Decreasing quasi-static fracture toughness is observed with age in bone specimens, while dynamic specimens show no age trends, yet universally decreased fracture toughness compared to those tested quasi-statically. For the first time, rising R-curve behavior in bone was also shown to exist under both quasi-static and dynamic loading. Antler demonstrated itself to be extremely resistant to impact loading, often requiring multiple impacts to fracture a specimen. Microscopy observations of deformation and crack propagation mechanisms indicate that differences in mechanical behavior between bone and antler, and at varying strain rates, are the result of subtle differences in bulk composition and active microstructural toughening mechanisms.

Mechanical characterization of alloys in extreme conditions of high strain rates and high temperature

NASA Astrophysics Data System (ADS)

Cadoni, Ezio

2018-03-01

The aim of this paper is the description of the mechanical characterization of alloys under extreme conditions of temperature and loading. In fact, in the frame of the Cost Action CA15102 “Solutions for Critical Raw Materials Under Extreme Conditions (CRM-EXTREME)” this aspect is crucial and many industrial applications have to consider the dynamic response of materials. Indeed, for a reduction and substitution of CRMs in alloys is necessary to design the materials and understand if the new materials behave better or if the substitution or reduction badly affect their performance. For this reason, a deep knowledge of the mechanical behaviour at high strain-rates of considered materials is required. In general, machinery manufacturing industry or transport industry as well as energy industry have important dynamic phenomena that are simultaneously affected by extended strain, high strain-rate, damage and pressure, as well as conspicuous temperature gradients. The experimental results in extreme conditions of high strain rate and high temperature of an austenitic stainless steel as well as a high-chromium tempered martensitic reduced activation steel Eurofer97 are presented.

Smoothed-particle hydrodynamics and nonequilibrium molecular dynamics

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

Hoover, W. G.; Hoover, C. G.

1993-08-01

Gingold, Lucy, and Monaghan invented a grid-free version of continuum mechanics ``smoothed-particle hydrodynamics,`` in 1977. It is a likely contributor to ``hybrid`` simulations combining atomistic and continuum simulations. We describe applications of this particle-based continuum technique from the closely-related standpoint of nonequilibrium molecular dynamics. We compare chaotic Lyapunov spectra for atomistic solids and fluids with those which characterize a two-dimensional smoothed-particle fluid system.

Modeling Misbehavior in Cooperative Diversity: A Dynamic Game Approach

NASA Astrophysics Data System (ADS)

Dehnie, Sintayehu; Memon, Nasir

2009-12-01

Cooperative diversity protocols are designed with the assumption that terminals always help each other in a socially efficient manner. This assumption may not be valid in commercial wireless networks where terminals may misbehave for selfish or malicious intentions. The presence of misbehaving terminals creates a social-dilemma where terminals exhibit uncertainty about the cooperative behavior of other terminals in the network. Cooperation in social-dilemma is characterized by a suboptimal Nash equilibrium where wireless terminals opt out of cooperation. Hence, without establishing a mechanism to detect and mitigate effects of misbehavior, it is difficult to maintain a socially optimal cooperation. In this paper, we first examine effects of misbehavior assuming static game model and show that cooperation under existing cooperative protocols is characterized by a noncooperative Nash equilibrium. Using evolutionary game dynamics we show that a small number of mutants can successfully invade a population of cooperators, which indicates that misbehavior is an evolutionary stable strategy (ESS). Our main goal is to design a mechanism that would enable wireless terminals to select reliable partners in the presence of uncertainty. To this end, we formulate cooperative diversity as a dynamic game with incomplete information. We show that the proposed dynamic game formulation satisfied the conditions for the existence of perfect Bayesian equilibrium.

Information diffusion in structured online social networks

NASA Astrophysics Data System (ADS)

Li, Pei; Zhang, Yini; Qiao, Fengcai; Wang, Hui

2015-05-01

Nowadays, due to the word-of-mouth effect, online social networks have been considered to be efficient approaches to conduct viral marketing, which makes it of great importance to understand the diffusion dynamics in online social networks. However, most research on diffusion dynamics in epidemiology and existing social networks cannot be applied directly to characterize online social networks. In this paper, we propose models to characterize the information diffusion in structured online social networks with push-based forwarding mechanism. We introduce the term user influence to characterize the average number of times that messages are browsed which is incurred by a given type user generating a message, and study the diffusion threshold, above which the user influence of generating a message will approach infinity. We conduct simulations and provide the simulation results, which are consistent with the theoretical analysis results perfectly. These results are of use in understanding the diffusion dynamics in online social networks and also critical for advertisers in viral marketing who want to estimate the user influence before posting an advertisement.

Elastic modulus measurements at variable temperature: Validation of atomic force microscopy techniques

NASA Astrophysics Data System (ADS)

Natali, Marco; Reggente, Melania; Passeri, Daniele; Rossi, Marco

2016-06-01

The development of polymer-based nanocomposites to be used in critical thermal environments requires the characterization of their mechanical properties, which are related to their chemical composition, size, morphology and operating temperature. Atomic force microscopy (AFM) has been proven to be a useful tool to develop techniques for the mechanical characterization of these materials, thanks to its nanometer lateral resolution and to the capability of exerting ultra-low loads, down to the piconewton range. In this work, we demonstrate two techniques, one quasi-static, i.e., AFM-based indentation (I-AFM), and one dynamic, i.e., contact resonance AFM (CR-AFM), for the mechanical characterization of compliant materials at variable temperature. A cross-validation of I-AFM and CR-AFM has been performed by comparing the results obtained on two reference materials, i.e., low-density polyethylene (LDPE) and polycarbonate (PC), which demonstrated the accuracy of the techniques.

Microscale Mechanics of Actin Networks During Dynamic Assembly and Dissociation

NASA Astrophysics Data System (ADS)

Gurmessa, Bekele; Robertson-Anderson, Rae; Ross, Jennifer; Nguyen, Dan; Saleh, Omar

Actin is one of the key components of the cytoskeleton, enabling cells to move and divide while maintaining shape by dynamic polymerization, dissociation and crosslinking. Actin polymerization and network formation is driven by ATP hydrolysis and varies depending on the concentrations of actin monomers and crosslinking proteins. The viscoelastic properties of steady-state actin networks have been well-characterized, yet the mechanical properties of these non-equilibrium systems during dynamic assembly and disassembly remain to be understood. We use semipermeable microfluidic devices to induce in situ dissolution and re-polymerization of entangled and crosslinked actin networks, by varying ATP concentrations in real-time, while measuring the mechanical properties during disassembly and re-assembly. We use optical tweezers to sinusoidally oscillate embedded microspheres and measure the resulting force at set time-intervals and in different regions of the network during cyclic assembly/disassembly. We determine the time-dependent viscoelastic properties of non-equilibrium network intermediates and the reproducibility and homogeneity of network formation and dissolution. Results inform the role that cytoskeleton reorganization plays in the dynamic multifunctional mechanics of cells. NSF CAREER Award (DMR-1255446) and a Scialog Collaborative Innovation Award funded by Research Corporation for Scientific Advancement (Grant No. 24192).

Thermal modal analysis of novel non-pneumatic mechanical elastic wheel based on FEM and EMA

NASA Astrophysics Data System (ADS)

Zhao, Youqun; Zhu, Mingmin; Lin, Fen; Xiao, Zhen; Li, Haiqing; Deng, Yaoji

2018-01-01

A combination of Finite Element Method (FEM) and Experiment Modal Analysis (EMA) have been employed here to characterize the structural dynamic response of mechanical elastic wheel (ME-Wheel) operating under a specific thermal environment. The influence of high thermal condition on the structural dynamic response of ME-Wheel is investigated. The obtained results indicate that the EMA results are in accordance with those obtained using the proposed Finite Element (FE) model, indicting the high reliability of this FE model applied in analyzing the modal of ME-Wheel working under practical thermal environment. It demonstrates that the structural dynamic response of ME-Wheel operating under a specific thermal condition can be predicted and evaluated using the proposed analysis method, which is beneficial for the dynamic optimization design of the wheel structure to avoid tire temperature related vibration failure and improve safety of tire.

A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.

PubMed

Mendieta-Moreno, Jesús I; Marcos-Alcalde, Iñigo; Trabada, Daniel G; Gómez-Puertas, Paulino; Ortega, José; Mendieta, Jesús

2015-01-01

Quantum mechanics/molecular mechanics (QM/MM) methods are excellent tools for the modeling of biomolecular reactions. Recently, we have implemented a new QM/MM method (Fireball/Amber), which combines an efficient density functional theory method (Fireball) and a well-recognized molecular dynamics package (Amber), offering an excellent balance between accuracy and sampling capabilities. Here, we present a detailed explanation of the Fireball method and Fireball/Amber implementation. We also discuss how this tool can be used to analyze reactions in biomolecules using steered molecular dynamics simulations. The potential of this approach is shown by the analysis of a reaction catalyzed by the enzyme triose-phosphate isomerase (TIM). The conformational space and energetic landscape for this reaction are analyzed without a priori assumptions about the protonation states of the different residues during the reaction. The results offer a detailed description of the reaction and reveal some new features of the catalytic mechanism. In particular, we find a new reaction mechanism that is characterized by the intramolecular proton transfer from O1 to O2 and the simultaneous proton transfer from Glu 165 to C2. Copyright © 2015 Elsevier Inc. All rights reserved.

A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers

NASA Astrophysics Data System (ADS)

Moradi, Mahmoud; Babin, Volodymyr; Roland, Christopher; Sagui, Celeste

2010-09-01

Folded polyproline peptides can exist as either left-(PPII) or right-handed (PPI) helices, depending on their environment. In this work, we have characterized the conformations and the free energy landscapes of Ace-(Pro)n-Nme, n =2,3,…,9, and 13 peptides both in vacuo and in an implicit solvent environment. In order to enhance the sampling provided by regular molecular dynamics simulations, we have used the recently developed adaptively biased molecular dynamics method—which provides an accurate description of the free energy landscapes in terms of a set of relevant collective variables—combined with Hamiltonian and temperature replica exchange molecular dynamics methods. The collective variables, which are chosen so as to reflect the stable structures and the "slow modes" of the polyproline system, were based primarily on properties of length and of the cis/trans isomerization associated with the prolyl bonds. Results indicate that the space of peptide structures is characterized not just by pure PPII and PPI structures, but rather by a broad distribution of stable minima with similar free energies. These results are in agreement with recent experimental work. In addition, we have used steered molecular dynamics methods in order to quantitatively estimate the free energy difference of PPI and PPII for peptides of the length n =2,…,5 in vacuo and implicit water and qualitatively investigate transition pathways and mechanisms for the PPII to PPI transitions. A zipper-like mechanism, starting from either the center of the peptide or the amidated end, appear to be the most likely mechanisms for the PPII→PPI transition for the longer peptides.

Unraveling cellulose microfibrils: a twisted tale

USDA-ARS?s Scientific Manuscript database

Molecular dynamics (MD) simulations of hydrated cellulose microfibrils are attractive to the textiles industry for their capacity to characterize water interactions with cotton fiber, as well as to the biofuels industry for their potential to provide insight toward efficient mechanisms for conversio...

Development of a Continuum Damage Mechanics Material Model of a Graphite-Kevlar(Registered Trademark) Hybrid Fabric for Simulating the Impact Response of Energy Absorbing Kevlar(Registered Trademark) Hybrid Fabric for Simulating the Impact Response of Energy Absorbing

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Littell, Justin D.

2017-01-01

This paper describes the development of input properties for a continuum damage mechanics based material model, Mat 58, within LS-DYNA(Registered Trademark) to simulate the response of a graphite-Kevlar(Registered Trademark) hybrid plain weave fabric. A limited set of material characterization tests were performed on the hybrid graphite-Kevlar(Registered Trademark) fabric. Simple finite element models were executed in LS-DYNA(Registered Trademark) to simulate the material characterization tests and to verify the Mat 58 material model. Once verified, the Mat 58 model was used in finite element models of two composite energy absorbers: a conical-shaped design, designated the "conusoid," fabricated of four layers of hybrid graphite-Kevlar(Registered Trademark) fabric; and, a sinusoidal-shaped foam sandwich design, designated the "sinusoid," fabricated of the same hybrid fabric face sheets with a foam core. Dynamic crush tests were performed on components of the two energy absorbers, which were designed to limit average vertical accelerations to 25- to 40-g, to minimize peak crush loads, and to generate relatively long crush stroke values under dynamic loading conditions. Finite element models of the two energy absorbers utilized the Mat 58 model that had been verified through material characterization testing. Excellent predictions of the dynamic crushing response were obtained.

Dynamic Mechanical Compression of Chondrocytes for Tissue Engineering: A Critical Review.

PubMed

Anderson, Devon E; Johnstone, Brian

2017-01-01

Articular cartilage functions to transmit and translate loads. In a classical structure-function relationship, the tissue resides in a dynamic mechanical environment that drives the formation of a highly organized tissue architecture suited to its biomechanical role. The dynamic mechanical environment includes multiaxial compressive and shear strains as well as hydrostatic and osmotic pressures. As the mechanical environment is known to modulate cell fate and influence tissue development toward a defined architecture in situ , dynamic mechanical loading has been hypothesized to induce the structure-function relationship during attempts at in vitro regeneration of articular cartilage. Researchers have designed increasingly sophisticated bioreactors with dynamic mechanical regimes, but the response of chondrocytes to dynamic compression and shear loading remains poorly characterized due to wide variation in study design, system variables, and outcome measurements. We assessed the literature pertaining to the use of dynamic compressive bioreactors for in vitro generation of cartilaginous tissue from primary and expanded chondrocytes. We used specific search terms to identify relevant publications from the PubMed database and manually sorted the data. It was very challenging to find consensus between studies because of species, age, cell source, and culture differences, coupled with the many loading regimes and the types of analyses used. Early studies that evaluated the response of primary bovine chondrocytes within hydrogels, and that employed dynamic single-axis compression with physiologic loading parameters, reported consistently favorable responses at the tissue level, with upregulation of biochemical synthesis and biomechanical properties. However, they rarely assessed the cellular response with gene expression or mechanotransduction pathway analyses. Later studies that employed increasingly sophisticated biomaterial-based systems, cells derived from different species, and complex loading regimes, did not necessarily corroborate prior positive results. These studies report positive results with respect to very specific conditions for cellular responses to dynamic load but fail to consistently achieve significant positive changes in relevant tissue engineering parameters, particularly collagen content and stiffness. There is a need for standardized methods and analyses of dynamic mechanical loading systems to guide the field of tissue engineering toward building cartilaginous implants that meet the goal of regenerating articular cartilage.

High-frequency microrheology reveals cytoskeleton dynamics in living cells

NASA Astrophysics Data System (ADS)

Rigato, Annafrancesca; Miyagi, Atsushi; Scheuring, Simon; Rico, Felix

2017-08-01

Living cells are viscoelastic materials, dominated by an elastic response on timescales longer than a millisecond. On shorter timescales, the dynamics of individual cytoskeleton filaments are expected to emerge, but active microrheology measurements on cells accessing this regime are scarce. Here, we develop high-frequency microrheology experiments to probe the viscoelastic response of living cells from 1 Hz to 100 kHz. We report the viscoelasticity of different cell types under cytoskeletal drug treatments. On previously inaccessible short timescales, cells exhibit rich viscoelastic responses that depend on the state of the cytoskeleton. Benign and malignant cancer cells revealed remarkably different scaling laws at high frequencies, providing a unique mechanical fingerprint. Microrheology over a wide dynamic range--up to the frequency characterizing the molecular components--provides a mechanistic understanding of cell mechanics.

Fluid mechanics of spinner-flask bioreactors

NASA Astrophysics Data System (ADS)

Sucosky, Philippe; Neitzel, G. Paul

2000-11-01

The dynamic environment within bioreactors used for in vitro tissue growth has been observed to affect the development of mammalian cells. Many studies have shown that moderate mechanical stress enhances growth of some tissues whereas high shear levels and turbulence seem to damage cells. In order to optimize the design and the operating conditions of bioreactors, it is important to understand the fluid-dynamic characteristics and to control the stress levels within these devices. The present research focuses on the characterization of the flow field within a spinner-flask bioreactor. The dynamic properties of the flow are investigated experimentally using particle-image velocimetry with a refractive-index-matched model. Phase-locked ensemble-averaging is employed to provide some information on the turbulence characteristics of the model culture medium in the vicinity of a model tissue construct.

TRITIUM EFFECTS ON DYNAMIC MECHANICAL PROPERTIES OF POLYMERIC MATERIALS

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

Clark, E

2008-11-12

Dynamic mechanical analysis has been used to characterize the effects of tritium gas (initially 1 atm. pressure, ambient temperature) exposure over times up to 2.3 years on several thermoplastics-ultrahigh molecular weight polyethylene (UHMW-PE), polytetrafluoroethylene (PTFE), and Vespel{reg_sign} polyimide, and on several formulations of elastomers based on ethylene propylene diene monomer (EPDM). Tritium exposure stiffened the elastic modulus of UHMW-PE up to about 1 year and then softened it, and reduced the viscous response monotonically with time. PTFE initially stiffened, however the samples became too weak to handle after nine months exposure. The dynamic properties of Vespel{reg_sign} were not affected. Themore » glass transition temperature of the EPDM formulations increased approximately 4 C. following three months tritium exposure.« less

3D fiber-deposited scaffolds for tissue engineering: influence of pores geometry and architecture on dynamic mechanical properties.

PubMed

Moroni, L; de Wijn, J R; van Blitterswijk, C A

2006-03-01

One of the main issues in tissue engineering is the fabrication of scaffolds that closely mimic the biomechanical properties of the tissues to be regenerated. Conventional fabrication techniques are not sufficiently suitable to control scaffold structure to modulate mechanical properties. Within novel scaffold fabrication processes 3D fiber deposition (3DF) showed great potential for tissue engineering applications because of the precision in making reproducible 3D scaffolds, characterized by 100% interconnected pores with different shapes and sizes. Evidently, these features also affect mechanical properties. Therefore, in this study we considered the influence of different structures on dynamic mechanical properties of 3DF scaffolds. Pores were varied in size and shape, by changing fibre diameter, spacing and orientation, and layer thickness. With increasing porosity, dynamic mechanical analysis (DMA) revealed a decrease in elastic properties such as dynamic stiffness and equilibrium modulus, and an increase of the viscous parameters like damping factor and creep unrecovered strain. Furthermore, the Poisson's ratio was measured, and the shear modulus computed from it. Scaffolds showed an adaptable degree of compressibility between sponges and incompressible materials. As comparison, bovine cartilage was tested and its properties fell in the fabricated scaffolds range. This investigation showed that viscoelastic properties of 3DF scaffolds could be modulated to accomplish mechanical requirements for tailored tissue engineered applications.

A combined molecular dynamics/micromechanics/finite element approach for multiscale constitutive modeling of nanocomposites with interface effects

NASA Astrophysics Data System (ADS)

Yang, B. J.; Shin, H.; Lee, H. K.; Kim, H.

2013-12-01

We introduce a multiscale framework based on molecular dynamic (MD) simulation, micromechanics, and finite element method (FEM). A micromechanical model, which considers influences of the interface properties, nanoparticle (NP) size, and microcracks, is developed. Then, we perform MD simulations to characterize the mechanical properties of the nanocomposite system (silica/nylon 6) with varying volume fraction and size of NPs. By comparing the MD with micromechanics results, intrinsic physical properties at interfacial region are derived. Finally, we implement the developed model in the FEM code with the derived interfacial parameters, and predict the mechanical behavior of the nanocomposite at the macroscopic scale.

First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111)

PubMed Central

Zhang, Zhaojun; Liu, Tianhui; Fu, Bina; Yang, Xueming; Zhang, Dong H.

2016-01-01

Despite significant progress made in the past decades, it remains extremely challenging to investigate the dissociative chemisorption dynamics of molecular species on surfaces at a full-dimensional quantum mechanical level, in particular for polyatomic-surface reactions. Here we report, to the best of our knowledge, the first full-dimensional quantum dynamics study for the dissociative chemisorption of H2O on rigid Cu(111) with all the nine molecular degrees of freedom fully coupled, based on an accurate full-dimensional potential energy surface. The full-dimensional quantum mechanical reactivity provides the dynamics features with the highest accuracy, revealing that the excitations in vibrational modes of H2O are more efficacious than increasing the translational energy in promoting the reaction. The enhancement of the excitation in asymmetric stretch is the largest, but that of symmetric stretch becomes comparable at very low energies. The full-dimensional characterization also allows the investigation of the validity of previous reduced-dimensional and approximate dynamical models. PMID:27283908

High-throughput methods for characterizing the mechanical properties of coatings

NASA Astrophysics Data System (ADS)

Siripirom, Chavanin

The characterization of mechanical properties in a combinatorial and high-throughput workflow has been a bottleneck that reduced the speed of the materials development process. High-throughput characterization of the mechanical properties was applied in this research in order to reduce the amount of sample handling and to accelerate the output. A puncture tester was designed and built to evaluate the toughness of materials using an innovative template design coupled with automation. The test is in the form of a circular free-film indentation. A single template contains 12 samples which are tested in a rapid serial approach. Next, the operational principles of a novel parallel dynamic mechanical-thermal analysis instrument were analyzed in detail for potential sources of errors. The test uses a model of a circular bilayer fixed-edge plate deformation. A total of 96 samples can be analyzed simultaneously which provides a tremendous increase in efficiency compared with a conventional dynamic test. The modulus values determined by the system had considerable variation. The errors were observed and improvements to the system were made. A finite element analysis was used to analyze the accuracy given by the closed-form solution with respect to testing geometries, such as thicknesses of the samples. A good control of the thickness of the sample was proven to be crucial to the accuracy and precision of the output. Then, the attempt to correlate the high-throughput experiments and conventional coating testing methods was made. Automated nanoindentation in dynamic mode was found to provide information on the near-surface modulus and could potentially correlate with the pendulum hardness test using the loss tangent component. Lastly, surface characterization of stratified siloxane-polyurethane coatings was carried out with X-ray photoelectron spectroscopy, Rutherford backscattering spectroscopy, transmission electron microscopy, and nanoindentation. The siloxane component segregates to the surface during curing. The distribution of siloxane as a function of thickness into the sample showed differences depending on the formulation parameters. The coatings which had higher siloxane content near the surface were those coatings found to perform well in field tests.

High Gain Antenna System Deployment Mechanism Integration, Characterization, and Lessons Learned

NASA Technical Reports Server (NTRS)

Parong, Fil; Russell, Blair; Garcen, Walter; Rose, Chris; Johnson, Chris; Huber, Craig

2014-01-01

The integration and deployment testing of the High Gain Antenna System (HGAS) for the Global Precipitation Measurement mission is summarized. The HGAS deployment mechanism is described. The gravity negation system configuration and its influence on vertical, ground-based deployment tests are presented with test data and model predictions. A focus is made on the late discovery and resolution of a potentially mission-degrading deployment interference condition. The interaction of the flight deployment mechanism, gravity-negation mechanism, and use of dynamic modeling is described and lessons learned presented

High Gain Antenna System Deployment Mechanism Integration, Characterization, and Lessons Learned

NASA Technical Reports Server (NTRS)

Parong, Fil; Russell, Blair; Garcen, Walter; Rose, Chris; Johnson, Chris; Huber, Craig

2014-01-01

The integration and deployment testing of the High Gain Antenna System for the Global Precipitation Measurement mission is summarized. The HGAS deployment mechanism is described. The gravity negation system configuration and its influence on vertical, ground-based, deployment tests are presented with test data and model predictions. A focus is made on the late discovery and resolution of a potentially mission degrading deployment interference condition. The interaction of the flight deployment mechanism, gravity negation mechanism, and use of dynamic modeling is described and lessons learned presented.

Decorrelation of the static and dynamic length scales in hard-sphere glass formers.

PubMed

Charbonneau, Patrick; Tarjus, Gilles

2013-04-01

We show that, in the equilibrium phase of glass-forming hard-sphere fluids in three dimensions, the static length scales tentatively associated with the dynamical slowdown and the dynamical length characterizing spatial heterogeneities in the dynamics unambiguously decorrelate. The former grow at a much slower rate than the latter when density increases. This observation is valid for the dynamical range that is accessible to computer simulations, which roughly corresponds to that accessible in colloidal experiments. We also find that, in this same range, no one-to-one correspondence between relaxation time and point-to-set correlation length exists. These results point to the coexistence of several relaxation mechanisms in the dynamically accessible regime of three-dimensional hard-sphere glass formers.

Twinning in magnesium under dynamic loading

NASA Astrophysics Data System (ADS)

Dixit, Neha; Hazeli, Kavan; Ramesh, Kaliat T.

2015-09-01

Twinning is an important mode of deformation in magnesium (Mg) and its alloys at high strain rates. Twinning in this material leads to important effects such as mechanical anisotropy, texture evolution, tension-compression asymmetry, and sometimes non-Schmid effects. Extension twins in Mg can accommodate significant plastic deformation as they grow, and thus twinning affects the overall rate of plastic deformation. We use an experimental approach to study the deformation twinning mechanism under dynamic loading. We perform normal plate impact recovery experiments (with microsecond pulse durations) on pure polycrystalline Mg specimens. Estimates of average TB velocity under the known impact stress are obtained by characterization of twin sizes and aspect ratios developed within the target during the loading pulse. The measured average TB velocities in our experiments are of the order of several m s-1. These velocities are several orders of magnitude higher than those so far measured in Mg under quasi-static loading conditions. Electron back-scattered diffraction (EBSD) is then used to characterize the nature of the twins and the microstructural evolution. Detailed crystallographic analysis of the twins enables us to understand twin nucleation and growth of twin variants under dynamic loading.

Unraveling protein catalysis through neutron diffraction

NASA Astrophysics Data System (ADS)

Myles, Dean

Neutron scattering and diffraction are exquisitely sensitive to the location, concentration and dynamics of hydrogen atoms in materials and provide a powerful tool for the characterization of structure-function and interfacial relationships in biological systems. Modern neutron scattering facilities offer access to a sophisticated, non-destructive suite of instruments for biophysical characterization that provide spatial and dynamic information spanning from Angstroms to microns and from picoseconds to microseconds, respectively. Applications range from atomic-resolution analysis of individual hydrogen atoms in enzymes, through to multi-scale analysis of hierarchical structures and assemblies in biological complexes, membranes and in living cells. Here we describe how the precise location of protein and water hydrogen atoms using neutron diffraction provides a more complete description of the atomic and electronic structures of proteins, enabling key questions concerning enzyme reaction mechanisms, molecular recognition and binding and protein-water interactions to be addressed. Current work is focused on understanding how molecular structure and dynamics control function in photosynthetic, cell signaling and DNA repair proteins. We will highlight recent studies that provide detailed understanding of the physiochemical mechanisms through which proteins recognize ligands and catalyze reactions, and help to define and understand the key principles involved.

Field camera measurements of gradient and shim impulse responses using frequency sweeps.

PubMed

Vannesjo, S Johanna; Dietrich, Benjamin E; Pavan, Matteo; Brunner, David O; Wilm, Bertram J; Barmet, Christoph; Pruessmann, Klaas P

2014-08-01

Applications of dynamic shimming require high field fidelity, and characterizing the shim field dynamics is therefore necessary. Modeling the system as linear and time-invariant, the purpose of this work was to measure the impulse response function with optimal sensitivity. Frequency-swept pulses as inputs are analyzed theoretically, showing that the sweep speed is a key factor for the measurement sensitivity. By adjusting the sweep speed it is possible to achieve any prescribed noise profile in the measured system response. Impulse response functions were obtained for the third-order shim system of a 7 Tesla whole-body MR scanner. Measurements of the shim fields were done with a dynamic field camera, yielding also cross-term responses. The measured shim impulse response functions revealed system characteristics such as response bandwidth, eddy currents and specific resonances, possibly of mechanical origin. Field predictions based on the shim characterization were shown to agree well with directly measured fields, also in the cross-terms. Frequency sweeps provide a flexible tool for shim or gradient system characterization. This may prove useful for applications involving dynamic shimming by yielding accurate estimates of the shim fields and a basis for setting shim pre-emphasis. Copyright © 2013 Wiley Periodicals, Inc.

Response of DP 600 products to dynamic impact loads

NASA Astrophysics Data System (ADS)

Clark, Deidra Darcell

The objective of this study was to compare the microstructural response of various DP 600 products subjected to low velocity, dynamic impact tests, typically encountered in a car crash. Since the response of steel is sensitive to its microstructure as controlled by the alloying elements, phase content, and processing; various DP 600 products may respond differently to crashes. The microstructure before and after dynamic impact deformation at 5 and 10 mph was characterized with regards to grain size, morphology, and phase content among vendors A, B, and C to evaluate efficiency in absorbing energy mechanisms during a crash simulated by dynamic impact testing in a drop tower.

Automated Static Culture System Cell Module Mixing Protocol and Computational Fluid Dynamics Analysis

NASA Technical Reports Server (NTRS)

Kleis, Stanley J.; Truong, Tuan; Goodwin, Thomas J,

2004-01-01

This report is a documentation of a fluid dynamic analysis of the proposed Automated Static Culture System (ASCS) cell module mixing protocol. The report consists of a review of some basic fluid dynamics principles appropriate for the mixing of a patch of high oxygen content media into the surrounding media which is initially depleted of oxygen, followed by a computational fluid dynamics (CFD) study of this process for the proposed protocol over a range of the governing parameters. The time histories of oxygen concentration distributions and mechanical shear levels generated are used to characterize the mixing process for different parameter values.

Ultrafast Three-Dimensional X-ray Imaging of Deformation Modes in ZnO Nanocrystals.

PubMed

Cherukara, Mathew J; Sasikumar, Kiran; Cha, Wonsuk; Narayanan, Badri; Leake, Steven J; Dufresne, Eric M; Peterka, Tom; McNulty, Ian; Wen, Haidan; Sankaranarayanan, Subramanian K R S; Harder, Ross J

2017-02-08

Imaging the dynamical response of materials following ultrafast excitation can reveal energy transduction mechanisms and their dissipation pathways, as well as material stability under conditions far from equilibrium. Such dynamical behavior is challenging to characterize, especially operando at nanoscopic spatiotemporal scales. In this letter, we use X-ray coherent diffractive imaging to show that ultrafast laser excitation of a ZnO nanocrystal induces a rich set of deformation dynamics including characteristic "hard" or inhomogeneous and "soft" or homogeneous modes at different time scales, corresponding respectively to the propagation of acoustic phonons and resonant oscillation of the crystal. By integrating the 3D nanocrystal structure obtained from the ultrafast X-ray measurements with a continuum thermo-electro-mechanical finite element model, we elucidate the deformation mechanisms following laser excitation, in particular, a torsional mode that generates a 50% greater electric potential gradient than that resulting from the flexural mode. Understanding of the time-dependence of these mechanisms on ultrafast scales has significant implications for development of new materials for nanoscale power generation.

Ultrafast Three-Dimensional X-ray Imaging of Deformation Modes in ZnO Nanocrystals

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

Cherukara, Mathew J.; Sasikumar, Kiran; Cha, Wonsuk

Imaging the dynamical response of materials following ultrafast excitation can reveal energy transduction mechanisms and their dissipation pathways, as well as material stability under conditions far from equilibrium. Such dynamical behaviour is challenging to characterize, especially operando at nanoscopic spatiotemporal scales. In this letter, we use x-ray coherent diffractive imaging to show that ultrafast laser excitation of a ZnO nanocrystal induces a rich set of deformation dynamics including characteristic ‘hard’ or inhomogeneous and ‘soft’ or homogeneous modes at different time scales, corresponding respectively to the propagation of acoustic phonons and resonant oscillation of the crystal. By integrating the 3D nanocrystalmore » structure obtained from the ultrafast x-ray measurements with a continuum thermo-electro-mechanical finite element model, we elucidate the deformation mechanisms following laser excitation, in particular, a torsional mode that generates a 50% greater electric potential gradient than that resulting from the flexural mode. Furthermore, understanding of the time-dependence of these mechanisms on ultrafast scales has significant implications for development of new materials for nanoscale power generation.« less

Ultrafast Three-Dimensional X-ray Imaging of Deformation Modes in ZnO Nanocrystals

DOE PAGES

Cherukara, Mathew J.; Sasikumar, Kiran; Cha, Wonsuk; ...

2016-12-27

Imaging the dynamical response of materials following ultrafast excitation can reveal energy transduction mechanisms and their dissipation pathways, as well as material stability under conditions far from equilibrium. Such dynamical behaviour is challenging to characterize, especially operando at nanoscopic spatiotemporal scales. In this letter, we use x-ray coherent diffractive imaging to show that ultrafast laser excitation of a ZnO nanocrystal induces a rich set of deformation dynamics including characteristic ‘hard’ or inhomogeneous and ‘soft’ or homogeneous modes at different time scales, corresponding respectively to the propagation of acoustic phonons and resonant oscillation of the crystal. By integrating the 3D nanocrystalmore » structure obtained from the ultrafast x-ray measurements with a continuum thermo-electro-mechanical finite element model, we elucidate the deformation mechanisms following laser excitation, in particular, a torsional mode that generates a 50% greater electric potential gradient than that resulting from the flexural mode. Furthermore, understanding of the time-dependence of these mechanisms on ultrafast scales has significant implications for development of new materials for nanoscale power generation.« less

Structure and dynamics of GeoCyp: a thermophilic cyclophilin with a novel substrate binding mechanism that functions efficiently at low temperatures

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

Holliday, Michael; Camilloni, Carlo; Armstrong, Geoffrey S.

2015-05-26

Thermophilic proteins have found extensive use in research and industrial applications due to their high stability and functionality at elevated temperatures while simultaneously providing valuable insight into our understanding of protein folding, stability, dynamics, and function. Cyclophilins, a ubiquitously expressed family of peptidyl-prolyl isomerases with a range of biological functions and disease associations, have been utilized both for conferring stress tolerances and in exploring the link between conformational dynamics and enzymatic function. To date, however, no active thermophilic cyclophilin has been fully biophysically characterized. Here, we determine the structure of a thermophilic cyclophilin (GeoCyp) from Geobacillus kaustophilus, characterize its dynamicmore » motions over several timescales using an array of methodologies that include chemical shift-based methods and relaxation experiments over a range of temperatures, and measure catalytic activity over a range of temperatures in order to compare structure, dynamics, and function to a mesophilic counterpart, human Cyclophilin A (CypA). Unlike most thermophile/mesophile pairs, GeoCyp catalysis is not substantially impaired at low temperatures as compared to CypA, retaining ~70% of the activity of its mesophilic counterpart. Examination of substrate-bound ensembles reveals a mechanism by which the two cyclophilins may have adapted to their environments through altering dynamic loop motions and a critical residue that acts as a clamp to regulate substrate binding differentially in CypA and GeoCyp. Despite subtle differences in conformational movements, dynamics over fast (ps-ns) and slow (μs) timescales are largely conserved between the two proteins.« less

Conformal piezoelectric systems for clinical and experimental characterization of soft tissue biomechanics

NASA Astrophysics Data System (ADS)

Dagdeviren, Canan; Shi, Yan; Joe, Pauline; Ghaffari, Roozbeh; Balooch, Guive; Usgaonkar, Karan; Gur, Onur; Tran, Phat L.; Crosby, Jessi R.; Meyer, Marcin; Su, Yewang; Chad Webb, R.; Tedesco, Andrew S.; Slepian, Marvin J.; Huang, Yonggang; Rogers, John A.

2015-07-01

Mechanical assessment of soft biological tissues and organs has broad relevance in clinical diagnosis and treatment of disease. Existing characterization methods are invasive, lack microscale spatial resolution, and are tailored only for specific regions of the body under quasi-static conditions. Here, we develop conformal and piezoelectric devices that enable in vivo measurements of soft tissue viscoelasticity in the near-surface regions of the epidermis. These systems achieve conformal contact with the underlying complex topography and texture of the targeted skin, as well as other organ surfaces, under both quasi-static and dynamic conditions. Experimental and theoretical characterization of the responses of piezoelectric actuator-sensor pairs laminated on a variety of soft biological tissues and organ systems in animal models provide information on the operation of the devices. Studies on human subjects establish the clinical significance of these devices for rapid and non-invasive characterization of skin mechanical properties.

Atomistic simulations and network-based modeling of the Hsp90-Cdc37 chaperone binding with Cdk4 client protein: A mechanism of chaperoning kinase clients by exploiting weak spots of intrinsically dynamic kinase domains

PubMed Central

Czemeres, Josh; Buse, Kurt

2017-01-01

A fundamental role of the Hsp90 and Cdc37 chaperones in mediating conformational development and activation of diverse protein kinase clients is essential in signal transduction. There has been increasing evidence that the Hsp90-Cdc37 system executes its chaperoning duties by recognizing conformational instability of kinase clients and modulating their folding landscapes. The recent cryo-electron microscopy structure of the Hsp90-Cdc37-Cdk4 kinase complex has provided a framework for dissecting regulatory principles underlying differentiation and recruitment of protein kinase clients to the chaperone machinery. In this work, we have combined atomistic simulations with protein stability and network-based rigidity decomposition analyses to characterize dynamic factors underlying allosteric mechanism of the chaperone-kinase cycle and identify regulatory hotspots that control client recognition. Through comprehensive characterization of conformational dynamics and systematic identification of stabilization centers in the unbound and client- bound Hsp90 forms, we have simulated key stages of the allosteric mechanism, in which Hsp90 binding can induce instability and partial unfolding of Cdk4 client. Conformational landscapes of the Hsp90 and Cdk4 structures suggested that client binding can trigger coordinated dynamic changes and induce global rigidification of the Hsp90 inter-domain regions that is coupled with a concomitant increase in conformational flexibility of the kinase client. This process is allosteric in nature and can involve reciprocal dynamic exchanges that exert global effect on stability of the Hsp90 dimer, while promoting client instability. The network-based rigidity analysis and emulation of thermal unfolding of the Cdk4-cyclin D complex and Hsp90-Cdc37-Cdk4 complex revealed weak spots of kinase instability that are present in the native Cdk4 structure and are targeted by the chaperone during client recruitment. Our findings suggested that this mechanism may be exploited by the Hsp90-Cdc37 chaperone to recruit and protect intrinsically dynamic kinase clients from degradation. The results of this investigation are discussed and interpreted in the context of diverse experimental data, offering new insights into mechanisms of chaperone regulation and binding. PMID:29267381

Anisotropic polyvinyl alcohol hydrogel phantom for shear wave elastography in fibrous biological soft tissue: a multimodality characterization

NASA Astrophysics Data System (ADS)

Chatelin, Simon; Bernal, Miguel; Deffieux, Thomas; Papadacci, Clément; Flaud, Patrice; Nahas, Amir; Boccara, Claude; Gennisson, Jean-Luc; Tanter, Mickael; Pernot, Mathieu

2014-11-01

Shear wave elastography imaging techniques provide quantitative measurement of soft tissues elastic properties. Tendons, muscles and cerebral tissues are composed of fibers, which induce a strong anisotropic effect on the mechanical behavior. Currently, these tissues cannot be accurately represented by existing elastography phantoms. Recently, a novel approach for orthotropic hydrogel mimicking soft tissues has been developed (Millon et al 2006 J. Biomed. Mater. Res. B 305-11). The mechanical anisotropy is induced in a polyvinyl alcohol (PVA) cryogel by stretching the physical crosslinks of the polymeric chains while undergoing freeze/thaw cycles. In the present study we propose an original multimodality imaging characterization of this new transverse isotropic (TI) PVA hydrogel. Multiple properties were investigated using a large variety of techniques at different scales compared with an isotropic PVA hydrogel undergoing similar imaging and rheology protocols. The anisotropic mechanical (dynamic and static) properties were studied using supersonic shear wave imaging technique, full-field optical coherence tomography (FFOCT) strain imaging and classical linear rheometry using dynamic mechanical analysis. The anisotropic optical and ultrasonic spatial coherence properties were measured by FFOCT volumetric imaging and backscatter tensor imaging, respectively. Correlation of mechanical and optical properties demonstrates the complementarity of these techniques for the study of anisotropy on a multi-scale range as well as the potential of this TI phantom as fibrous tissue-mimicking phantom for shear wave elastographic applications.

Effects of geometry and cell-matrix interactions on the mechanics of 3D engineered microtissues

NASA Astrophysics Data System (ADS)

Bose, Prasenjit; Eyckmans, Jeroen; Chen, Christopher; Reich, Daniel

Approaches to measure and control cell-extracellular matrix (ECM) interactions in a dynamic mechanical environment are important both for studies of mechanobiology and for tissue design for bioengineering applications. We have developed a microtissue-based platform capable of controlling the ECM alignment of 3D engineered microtissues while simultaneously permitting measurement of cellular contractile forces and the tissues' mechanical properties. The tissues self-assemble from cell-laden collagen gels placed in micro-fabricated wells containing sets of flexible elastic pillars. Tissue geometry and ECM alignment are controlled by the pillars' number, shape and location. Optical tracking of the pillars provides readout of the tissues' contractile forces. Magnetic materials bound to selected pillars allow quasi-static or dynamic stretching of the tissue, and together with simultaneous measurements of the tissues' local dynamic strain field, enable characterization of the mechanical properties of the system, including their degree of anisotropy. Results on the effects of symmetry and degree of ECM alignment and organization on the role of cell-ECM interactions in determining tissue mechanical properties will be discussed. This work is supported by NSF CMMI-1463011 and CMMI-1462710.

In vivo dynamical behavior of yeast chromatin modeled as an entangled polymer network with constraint release

NASA Astrophysics Data System (ADS)

Wang, Chenxi; Kilfoil, Maria L.

2013-03-01

The high fidelity segregation of chromatin is the central problem in cell mitosis. The role of mechanics underlying this, however, is undetermined. Work in this area has largely focused on cytoskeletal elements of the process. Preliminary work in our lab suggests the mechanical properties of chromatin are fundamental in this process. Nevertheless, the mechanical properties of chromatin in the cellular context are not well-characterized. For better understanding of the role of mechanics in this cellular process, and of the chromatin mechanics in vivo generally, a systematic dynamical description of chromatin in vivo is required. Accordingly, we label specific sites on chromatin with fluorescent proteins of different wave lengths, enabling us to detect multiple spots separately in 3D and track their displacements in time inside living yeast cells. We analyze the pairwise cross-correlated motion between spots as a function of relative distance along the DNA contour. Comparison between the reptation model and our data serves to test our conjecture that chromatin in the cell is basically an entangled polymer network under constraints to thermal motion, and removal of constraints by non-thermal cellular processes is expected to affect its dynamic behavior.

Detection of plasticity mechanisms in an energetic molecular crystal through shock-like 3D unidirectional compressions: A Molecular Dynamics study

NASA Astrophysics Data System (ADS)

Lafourcade, Paul; Denoual, Christophe; Maillet, Jean-Bernard

2017-06-01

TATB crystal structure consists in graphitic-like sheets arranged in the a-b plane where a, b and c define the edge vectors of the unit cell. This type of stacking provides the TATB monocrystal very anisotropic physical, chemical and mechanical properties. In order to explore which mechanisms are involved in TATB plasticity, we use a Molecular Dynamics code in which the overall deformation is prescribed as a function of time, for any deformation path. Furthermore, a computation of the Green-Lagrange strain tensor is proposed, which helps reveal various defects and plasticity mechanisms. Through prescribed large strain of shock-like deformations, a three-dimensional characterization of TATB monocrystal yield stress has been obtained, confirming the very anisotropic behavior of this energetic material. Various plasticity mechanisms are triggered during these simulations, including counter intuitive defects onset such as gliding along transveral planes containing perfect dislocations and twinning. Gliding in the a-b plane occurs systematically and does not lead to significant plastic behavior, in accordance with a previous study on dislocation core structures for this plane, based on a coupling between the Peierls-Nabarro-Galerkin method and Molecular Dynamics simulations.

Dynamic Imaging of Mouse Embryos and Cardiodynamics in Static Culture.

PubMed

Lopez, Andrew L; Larina, Irina V

2018-01-01

The heart is a dynamic organ that quickly undergoes morphological and mechanical changes through early embryonic development. Characterizing these early moments is important for our understanding of proper embryonic development and the treatment of heart disease. Traditionally, tomographic imaging modalities and fluorescence-based microscopy are excellent approaches to visualize structural features and gene expression patterns, respectively, and connect aberrant gene programs to pathological phenotypes. However, these approaches usually require static samples or fluorescent markers, which can limit how much information we can derive from the dynamic and mechanical changes that regulate heart development. Optical coherence tomography (OCT) is unique in this circumstance because it allows for the acquisition of three-dimensional structural and four-dimensional (3D + time) functional images of living mouse embryos without fixation or contrast reagents. In this chapter, we focus on how OCT can visualize heart morphology at different stages of development and provide cardiodynamic information to reveal mechanical properties of the developing heart.

Dynamics of cochlear nonlinearity: Automatic gain control or instantaneous damping?

PubMed

Altoè, Alessandro; Charaziak, Karolina K; Shera, Christopher A

2017-12-01

Measurements of basilar-membrane (BM) motion show that the compressive nonlinearity of cochlear mechanical responses is not an instantaneous phenomenon. For this reason, the cochlear amplifier has been thought to incorporate an automatic gain control (AGC) mechanism characterized by a finite reaction time. This paper studies the effect of instantaneous nonlinear damping on the responses of oscillatory systems. The principal results are that (i) instantaneous nonlinear damping produces a noninstantaneous gain control that differs markedly from typical AGC strategies; (ii) the kinetics of compressive nonlinearity implied by the finite reaction time of an AGC system appear inconsistent with the nonlinear dynamics measured on the gerbil basilar membrane; and (iii) conversely, those nonlinear dynamics can be reproduced using an harmonic oscillator with instantaneous nonlinear damping. Furthermore, existing cochlear models that include instantaneous gain-control mechanisms capture the principal kinetics of BM nonlinearity. Thus, an AGC system with finite reaction time appears neither necessary nor sufficient to explain nonlinear gain control in the cochlea.

Fundamental limits on quantum dynamics based on entropy change

NASA Astrophysics Data System (ADS)

Das, Siddhartha; Khatri, Sumeet; Siopsis, George; Wilde, Mark M.

2018-01-01

It is well known in the realm of quantum mechanics and information theory that the entropy is non-decreasing for the class of unital physical processes. However, in general, the entropy does not exhibit monotonic behavior. This has restricted the use of entropy change in characterizing evolution processes. Recently, a lower bound on the entropy change was provided in the work of Buscemi, Das, and Wilde [Phys. Rev. A 93(6), 062314 (2016)]. We explore the limit that this bound places on the physical evolution of a quantum system and discuss how these limits can be used as witnesses to characterize quantum dynamics. In particular, we derive a lower limit on the rate of entropy change for memoryless quantum dynamics, and we argue that it provides a witness of non-unitality. This limit on the rate of entropy change leads to definitions of several witnesses for testing memory effects in quantum dynamics. Furthermore, from the aforementioned lower bound on entropy change, we obtain a measure of non-unitarity for unital evolutions.

Combining stress transfer and source directivity: the case of the 2012 Emilia seismic sequence

PubMed Central

Convertito, Vincenzo; Catalli, Flaminia; Emolo, Antonio

2013-01-01

The Emilia seismic sequence (Northern Italy) started on May 2012 and caused 17 casualties, severe damage to dwellings and forced the closure of several factories. The total number of events recorded in one month was about 2100, with local magnitude ranging between 1.0 and 5.9. We investigate potential mechanisms (static and dynamic triggering) that may describe the evolution of the sequence. We consider rupture directivity in the dynamic strain field and observe that, for each main earthquake, its aftershocks and the subsequent large event occurred in an area characterized by higher dynamic strains and corresponding to the dominant rupture direction. We find that static stress redistribution alone is not capable of explaining the locations of subsequent events. We conclude that dynamic triggering played a significant role in driving the sequence. This triggering was also associated with a variation in permeability and a pore pressure increase in an area characterized by a massive presence of fluids. PMID:24177982

Degenerate time-dependent network dynamics anticipate seizures in human epileptic brain.

PubMed

Tauste Campo, Adrià; Principe, Alessandro; Ley, Miguel; Rocamora, Rodrigo; Deco, Gustavo

2018-04-01

Epileptic seizures are known to follow specific changes in brain dynamics. While some algorithms can nowadays robustly detect these changes, a clear understanding of the mechanism by which these alterations occur and generate seizures is still lacking. Here, we provide crossvalidated evidence that such changes are initiated by an alteration of physiological network state dynamics. Specifically, our analysis of long intracranial electroencephalography (iEEG) recordings from a group of 10 patients identifies a critical phase of a few hours in which time-dependent network states become less variable ("degenerate"), and this phase is followed by a global functional connectivity reduction before seizure onset. This critical phase is characterized by an abnormal occurrence of highly correlated network instances and is shown to be particularly associated with the activity of the resected regions in patients with validated postsurgical outcome. Our approach characterizes preseizure network dynamics as a cascade of 2 sequential events providing new insights into seizure prediction and control.

Dynamics of flexible fibers transported in confined viscous flows

NASA Astrophysics Data System (ADS)

Cappello, Jean; Duprat, Camille; Du Roure, Olivia; Nagel, Mathias; Gallaire, François; Lindner, Anke

2017-11-01

The dynamics of elongated objects has been extensively studied in unbounded media as for example the sedimentation of fibers at low Reynolds numbers. It has recently been shown that these transport dynamics are strongly modified by bounding walls. Here we focus on the dynamics of flexible fibers confined by the top and bottom walls of a microchannel and transported in pressure-driven flows. We combine well-controlled microfluidic experiments and simulations using modified Brinkmann equations. We control shape, orientation, and mechanical properties of our fibers using micro-fabrication techniques and in-situ characterization methods. These elastic fibers can be deformed by viscous and pressure forces leading to very rich transport dynamics coupling lateral drift with shape evolution. We show that the bending of a perpendicular fiber is proportional to an elasto-viscous number and we fully characterize the influence of the confinement on the deformation of the fiber. Experiments on parallel flexible fibers reveal the existence of a buckling threshold. The European Research Council is acknowledged for funding the work through a consolidator Grant (ERC PaDyFlow 682367).

Characterization of a Novel Water Pocket Inside the Human Cx26 Hemichannel Structure

PubMed Central

Araya-Secchi, Raul; Perez-Acle, Tomas; Kang, Seung-gu; Huynh, Tien; Bernardin, Alejandro; Escalona, Yerko; Garate, Jose-Antonio; Martínez, Agustin D.; García, Isaac E.; Sáez, Juan C.; Zhou, Ruhong

2014-01-01

Connexins (Cxs) are a family of vertebrate proteins constituents of gap junction channels (GJCs) that connect the cytoplasm of adjacent cells by the end-to-end docking of two Cx hemichannels. The intercellular transfer through GJCs occurs by passive diffusion allowing the exchange of water, ions, and small molecules. Despite the broad interest to understand, at the molecular level, the functional state of Cx-based channels, there are still many unanswered questions regarding structure-function relationships, perm-selectivity, and gating mechanisms. In particular, the ordering, structure, and dynamics of water inside Cx GJCs and hemichannels remains largely unexplored. In this work, we describe the identification and characterization of a believed novel water pocket—termed the IC pocket—located in-between the four transmembrane helices of each human Cx26 (hCx26) monomer at the intracellular (IC) side. Using molecular dynamics (MD) simulations to characterize hCx26 internal water structure and dynamics, six IC pockets were identified per hemichannel. A detailed characterization of the dynamics and ordering of water including conformational variability of residues forming the IC pockets, together with multiple sequence alignments, allowed us to propose a functional role for this cavity. An in vitro assessment of tracer uptake suggests that the IC pocket residue Arg-143 plays an essential role on the modulation of the hCx26 hemichannel permeability. PMID:25099799

Microscale mechanical characterization of materials for extreme environments

NASA Astrophysics Data System (ADS)

Ozerinc, Sezer

Nanocrystalline metals are promising materials for applications that require outstanding strength and stability in extreme environments. Further improvements in the desirable mechanical properties of these materials require a better understanding of the relationship between their microstructure and grain boundary deformation behavior. Previous molecular dynamics simulations suggested that solute additions to grain boundaries can enhance the strength of nanocrystalline metals, but there has been a lack of experimental studies investigating this prediction. This dissertation presents mechanical and microstructural characterization of nanocrystalline Cu alloys and demonstrate that addition of Nb solutes to grain boundaries greatly enhances the strength of Cu. The measured hardness of Cu90Nb10 alloy is 5.6 GPa which is more than double the hardness of nanocrystalline pure Cu. Microstructural characterization through transmission electron microscopy and energy-dispersive X-ray spectroscopy on these alloys indicates a strong correlation between the grain boundary composition and the hardness. Variation of measured hardness with measured grain boundary composition is in very good agreement with previous molecular dynamics simulation predictions. The results of this work provide experimental evidence that grain boundary doping enhances the strength of nanocrystalline Cu far beyond that predicted by classical Hall-Petch strengthening and decreasing grain boundary energy through solute additions is the key to reaching theoretical strength in nanocrystalline metals. Irradiation induced creep is a deformation mechanism that takes place under combined stress and particle bombardment. Effective characterization of this phenomenon on nanostructured materials is crucial for the assessment of their potential use in next generation nuclear power plants. Direct measurements of irradiation induced creep under MeV-heavy ion bombardment have not been feasible until recently due to the requirements of micron-sized specimens, muN-level force sensitivity, and nm-level displacement sensitivity. A recently developed mechanical characterization technique, micropillar compression, has enabled the testing of miniaturized specimens; however, there has been no demonstration of the application of this technique to irradiation induced creep measurements. This dissertation presents the development of an in situ measurement apparatus for compression testing of micron-sized cylindrical specimens under MeV-heavy ion bombardment. The apparatus has a force resolution of 1 muN and a displacement resolution of 1 nm. The apparatus measured irradiation induced creep in four different amorphous materials and the findings clarified the significance of different creep mechanisms in these materials. In amorphous metals and amorphous Si, the measured irradiation induced fluidity is ≈ 3 dpa-1GPa-1 (dpa: displacements per atom). The measured fluidity is in excellent agreement with previous molecular dynamics simulation predictions, providing experimental evidence for point defect mediated plastic flow under ion bombardment. For amorphous SiO2, stress relaxation through thermal spikes further contribute to the creep response, resulting in higher fluidities up to ≈ 83 dpa-1GPa -1. Finally, this dissertation presents the further development of the creep testing apparatus for high temperature measurements. The apparatus demonstrated good thermal and mechanical stability and measured irradiation induced creep of nanocrystalline Cu at 200°C. Resulting irradiation induced fluidity is ≈ 10% of the fluidity of the amorphous metals, in agreement with previous measurements on free-standing films. Understanding the creep behavior of nanostructured metals under heavy ion bombardment at elevated temperatures is important for identifying the governing creep mechanisms in these materials. The developed apparatus provides a new and effective method of accelerated mechanical characterization of such promising materials for their potential use in future nuclear applications.

Dynamical characterization of inactivation path in voltage-gated Na+ ion channel by non-equilibrium response spectroscopy

PubMed Central

Pal, Krishnendu; Gangopadhyay, Gautam

2016-01-01

ABSTRACT Inactivation path of voltage gated sodium channel has been studied here under various voltage protocols as it is the main governing factor for the periodic occurrence and shape of the action potential. These voltage protocols actually serve as non-equilibrium response spectroscopic tools to study the ion channel in non-equilibrium environment. In contrast to a lot of effort in finding the crystal structure based molecular mechanism of closed-state(CSI) and open-state inactivation(OSI); here our approach is to understand the dynamical characterization of inactivation. The kinetic flux as well as energetic contribution of the closed and open- state inactivation path is compared here for voltage protocols, namely constant, pulsed and oscillating. The non-equilibrium thermodynamic quantities used in response to these voltage protocols serve as improved characterization tools for theoretical understanding which not only agrees with the previously known kinetic measurements but also predict the energetically optimum processes to sustain the auto-regulatory mechanism of action potential and the consequent inactivation steps needed. The time dependent voltage pattern governs the population of the conformational states which when couple with characteristic rate parameters, the CSI and OSI selectivity arise dynamically to control the inactivation path. Using constant, pulsed and continuous oscillating voltage protocols we have shown that during depolarization the OSI path is more favored path of inactivation however, in the hyper-polarized situation the CSI is favored. It is also shown that the re-factorisation of inactivated sodium channel to resting state occurs via CSI path. Here we have shown how the subtle energetic and entropic cost due to the change in the depolarization magnitude determines the optimum path of inactivation. It is shown that an efficient CSI and OSI dynamical profile in principle can characterize the open-state drug blocking phenomena. PMID:27367642

Recurrence networks from multivariate signals for uncovering dynamic transitions of horizontal oil-water stratified flows

NASA Astrophysics Data System (ADS)

Gao, Zhong-Ke; Zhang, Xin-Wang; Jin, Ning-De; Donner, Reik V.; Marwan, Norbert; Kurths, Jürgen

2013-09-01

Characterizing the mechanism of drop formation at the interface of horizontal oil-water stratified flows is a fundamental problem eliciting a great deal of attention from different disciplines. We experimentally and theoretically investigate the formation and transition of horizontal oil-water stratified flows. We design a new multi-sector conductance sensor and measure multivariate signals from two different stratified flow patterns. Using the Adaptive Optimal Kernel Time-Frequency Representation (AOK TFR) we first characterize the flow behavior from an energy and frequency point of view. Then, we infer multivariate recurrence networks from the experimental data and investigate the cross-transitivity for each constructed network. We find that the cross-transitivity allows quantitatively uncovering the flow behavior when the stratified flow evolves from a stable state to an unstable one and recovers deeper insights into the mechanism governing the formation of droplets at the interface of stratified flows, a task that existing methods based on AOK TFR fail to work. These findings present a first step towards an improved understanding of the dynamic mechanism leading to the transition of horizontal oil-water stratified flows from a complex-network perspective.

Modeling and Flight Data Analysis of Spacecraft Dynamics with a Large Solar Array Paddle

NASA Technical Reports Server (NTRS)

Iwata, Takanori; Maeda, Ken; Hoshino, Hiroki

2007-01-01

The Advanced Land Observing Satellite (ALOS) was launched on January 24 2006 and has been operated successfully since then. This satellite has the attitude dynamics characterized by three large flexible structures, four large moving components, and stringent attitude/pointing stability requirements. In particular, it has one of the largest solar array paddles. Presented in this paper are flight data analyses and modeling of spacecraft attitude motion induced by the large solar array paddle. On orbit attitude dynamics was first characterized and summarized. These characteristic motions associated with the solar array paddle were identified and assessed. These motions are thermally induced motion, the pitch excitation by the paddle drive, and the role excitation. The thermally induced motion and the pitch excitation by the paddle drive were modeled and simulated to verify the mechanics of the motions. The control law updates implemented to mitigate the attitude vibrations are also reported.

Modeling and Characterization of Electrical Resistivity of Carbon Composite Laminates

NASA Astrophysics Data System (ADS)

Yasuda, Hiromi

Origami has recently received significant interest from the scientific and engineering communities as a method for designing building blocks of engineered structures to enhance their mechanical properties. However, the primary focus has been placed on their kinematic applications by leveraging the compactness and auxeticity of planar origami platforms. In this thesis, we study two different types of volumetric origami structures, Tachi-Miura Polyhedron (TMP) and Triangulated Cylindrical Origami (TCO), hierarchically from a single unit cell level to an assembly of multi-origami cells. We strategically assemble these origami cells into mechanical metamaterials and demonstrate their unique static/dynamic mechanical responses. In particular, these origami structures exhibit tailorable stiffness and strain softening/hardening behaviors, which leads to rich wave dynamics in origami-based architectures such as tunable frequency bands and new types of nonlinear wave propagations. One of the novel waveforms investigated in this thesis is the rarefaction solitary wave arising from strain-softening nature of origami unit cell. This unique wave dynamic mechanism is analyzed in numerical, analytical, and experimental approaches. By leveraging their tailorable folding mechanisms, the origami-based mechanical metamaterials can be used for designing new types of engineering devices and structures, not only for deployable space and disaster relief applications, but also for vibration filtering, impact mitigation, and energy harvesting.

Dynamics of flexible bodies in tree topology - A computer oriented approach

NASA Technical Reports Server (NTRS)

Singh, R. P.; Vandervoort, R. J.; Likins, P. W.

1984-01-01

An approach suited for automatic generation of the equations of motion for large mechanical systems (i.e., large space structures, mechanisms, robots, etc.) is presented. The system topology is restricted to a tree configuration. The tree is defined as an arbitrary set of rigid and flexible bodies connected by hinges characterizing relative translations and rotations of two adjoining bodies. The equations of motion are derived via Kane's method. The resulting equation set is of minimum dimension. Dynamical equations are imbedded in a computer program called TREETOPS. Extensive control simulation capability is built in the TREETOPS program. The simulation is driven by an interactive set-up program resulting in an easy to use analysis tool.

Mechanical properties of MEMS materials: reliability investigations by mechanical- and HRXRD-characterization related to environmental testing

NASA Astrophysics Data System (ADS)

Bandi, T.; Shea, H.; Neels, A.

2014-06-01

The performance and aging of MEMS often rely on the stability of the mechanical properties over time and under harsh conditions. An overview is given on methods to investigate small variations of the mechanical properties of structural MEMS materials by functional characterization, high-resolution x-ray diffraction methods (HR-XRD) and environmental testing. The measurement of the dynamical properties of micro-resonators is a powerful method for the investigation of elasticity variations in structures relevant to microtechnology. X-ray diffraction techniques are used to analyze residual strains and deformations with high accuracy and in a non-destructive manner at surfaces and in buried micro-structures. The influence of elevated temperatures and radiation damage on the performance of resonant microstructures with a focus on quartz and single crystal silicon is discussed and illustrated with examples including work done in our laboratories at CSEM and EPFL.

Fabrication and characterization of an ultrasensitive acousto-optical cantilever

NASA Astrophysics Data System (ADS)

Sievilä, P.; Rytkönen, V.-P.; Hahtela, O.; Chekurov, N.; Kauppinen, J.; Tittonen, I.

2007-05-01

A cantilever-type silicon device for sensing changes in pressure has been designed, fabricated and characterized. The microfabrication process is based on two-sided etching of silicon-on insulator (SOI) wafers. The rectangular cantilevers are 9.5 µm thick, and cover an area of a few square millimeters. The cantilevers are surrounded by thick and tight frames, since on the three free sides there are only narrow, micrometer sized air gaps between the cantilever and the frame. This design and excellent mechanical properties of single crystal silicon enable sensitive detection of time-dependent gas pressure variations, i.e. acoustic waves. The mechanical properties of the cantilever have been characterized by analyzing its dynamic behavior. The resonance frequency and the mechanical vibrational mode patterns have been determined using finite-element method (FEM) simulations and laser interferometry. These results are found to be in good agreement with each other. Initially this mechanical door-like cantilever was designed to be used in ultra-high sensitivity photoacoustic gas sensing, but it can also be applied quite generally in various kinds of sound wave detection schemes.

Characterizing active cytoskeletal dynamics with magnetic microposts

NASA Astrophysics Data System (ADS)

Shi, Yu; Henry, Steven; Crocker, John; Reich, Daniel

Characterization of an active matter system such as the cellular cytoskeleton requires knowledge of three frequency dependent quantities: the dynamic shear modulus, G*(ω) describing its viscoelasticity, the Fourier power spectrum of forces in the material due to internal force generators f (ω) , and the spectrum of the material's active strain fluctuations x(ω) . Via use of PDMS micropost arrays with magnetic nanowires embedded in selected posts, we measure the local complex modulus of cells through mechanical actuation of the magnetic microposts. The micrometer scale microposts are also used as passive probes to measure simultaneously the frequency dependent strain fluctuations. We present data on 3T3 fibroblasts, where we find power law behavior for both the frequency dependence of cells' modulus | G (ω) | ω 0 . 27 and the power spectrum of strain fluctuations |x(ω) | ω-2 . Results for the power spectrum of active cytoskeletal stresses determined from these two measurements, and implications of this mesoscale characterization of cytoskeletal dynamics for cellular biophysics will also be discussed. Supported in part by NIH Grant 1R01HL127087.

Elastic Characterization of Transversely Isotropic Soft Materials by Dynamic Shear and Asymmetric Indentation

PubMed Central

Namani, R.; Feng, Y.; Okamoto, R. J.; Jesuraj, N.; Sakiyama-Elbert, S. E.; Genin, G. M.; Bayly, P. V.

2012-01-01

The mechanical characterization of soft anisotropic materials is a fundamental challenge because of difficulties in applying mechanical loads to soft matter and the need to combine information from multiple tests. A method to characterize the linear elastic properties of transversely isotropic soft materials is proposed, based on the combination of dynamic shear testing (DST) and asymmetric indentation. The procedure was demonstrated by characterizing a nearly incompressible transversely isotropic soft material. A soft gel with controlled anisotropy was obtained by polymerizing a mixture of fibrinogen and thrombin solutions in a high field magnet (B = 11.7 T); fibrils in the resulting gel were predominantly aligned parallel to the magnetic field. Aligned fibrin gels were subject to dynamic (20–40 Hz) shear deformation in two orthogonal directions. The shear storage modulus was 1.08 ± 0. 42 kPa (mean ± std. dev.) for shear in a plane parallel to the dominant fiber direction, and 0.58 ± 0.21 kPa for shear in the plane of isotropy. Gels were indented by a rectangular tip of a large aspect ratio, aligned either parallel or perpendicular to the normal to the plane of transverse isotropy. Aligned fibrin gels appeared stiffer when indented with the long axis of a rectangular tip perpendicular to the dominant fiber direction. Three-dimensional numerical simulations of asymmetric indentation were used to determine the relationship between direction-dependent differences in indentation stiffness and material parameters. This approach enables the estimation of a complete set of parameters for an incompressible, transversely isotropic, linear elastic material. PMID:22757501

Nano-Se: Cheap and easy-to-obtain novel material for all-dielectric nano-photonics

NASA Astrophysics Data System (ADS)

Ivanova, A. K.; Ionin, A. A.; Khmel'nitskii, R. A.; Klevkov, Yu. K.; Kudryashov, S. I.; Levchenko, A. O.; Mel'nik, N. N.; Nastulyavichus, A. A.; Rudenko, A. A.; Saraeva, I. N.; Smirnov, N. A.; Zayarny, D. A.; Gonchukov, S. A.; Tolordava, E. R.; Baranov, A. N.

2017-09-01

Milligram-per-second production of selenium nanoparticles in water sols was realized through few W, kHz-rate nanosecond laser ablation of a solid selenium pellet. High-yield particle formation mechanism and ultimate mass-removal yield were elucidated by optical profilometry and scanning electron microscopy characterization of crater depths and topographies. Deposited particles were inspected by scanning electron microscopy, while optical transmission Raman and dynamic light scattering spectroscopy characterized their hydrosols.

Technology development for cryogenic deployable telescope structures and mechanisms

NASA Astrophysics Data System (ADS)

Atkinson, Charles B.; Gilman, Larry; Reynolds, Paul

2003-12-01

At 6-7 meters in diameter, the James Webb Space Telescope (JWST) will require structures that remain stable to levels that are on the order of 10 nanometers under dynamic and thermal loading while operating at cryogenic temperatures. Moreover, the JWST will be the first telescope in space that is deployed, resulting in an aperture that is not only segmented, but has hinge-lines and the associated joining systems or latches in it. In order to understand the behavior and reduce the risk associated with very large, deployed structures and the stability of the associated structure and latches, we developed and tested the largest cryogenic structure ever built and then characterized its stability. This paper presents a description of the design of the Development Optical Telescope Assembly (DOTA), the testing performed, and the results of the testing performed on it. We discuss the material selection and characterization processes, give a description of the test configurations, describe the metrology equipment and the validation process for it, provide the test results, and summarize the conclusions drawn from the results. The testing and associated results include characterization of the thermal stability of the large-scale structure, characterization of the micro-dynamic stability of the latching system, and measurements of the deployment capability of the mechanisms. We also describe how the DOTA design relates to the JWST design and how the test results relate to the JWST requirements.

Unified quantitative characterization of epithelial tissue development

PubMed Central

Guirao, Boris; Rigaud, Stéphane U; Bosveld, Floris; Bailles, Anaïs; López-Gay, Jesús; Ishihara, Shuji; Sugimura, Kaoru

2015-01-01

Understanding the mechanisms regulating development requires a quantitative characterization of cell divisions, rearrangements, cell size and shape changes, and apoptoses. We developed a multiscale formalism that relates the characterizations of each cell process to tissue growth and morphogenesis. Having validated the formalism on computer simulations, we quantified separately all morphogenetic events in the Drosophila dorsal thorax and wing pupal epithelia to obtain comprehensive statistical maps linking cell and tissue scale dynamics. While globally cell shape changes, rearrangements and divisions all significantly participate in tissue morphogenesis, locally, their relative participations display major variations in space and time. By blocking division we analyzed the impact of division on rearrangements, cell shape changes and tissue morphogenesis. Finally, by combining the formalism with mechanical stress measurement, we evidenced unexpected interplays between patterns of tissue elongation, cell division and stress. Our formalism provides a novel and rigorous approach to uncover mechanisms governing tissue development. DOI: http://dx.doi.org/10.7554/eLife.08519.001 PMID:26653285

Structure, Nanomechanics and Dynamics of Dispersed Surfactant-Free Clay Nanocomposite Films

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Zhao, Jing; Snyder, Chad; Karim, Alamgir; National Institute of Standards; Technology Collaboration

Natural Montmorillonite particles were dispersed as tactoids in thin films of polycaprolactone (PCL) through a flow coating technique assisted by ultra-sonication. Wide angle X-ray scattering (WAXS), Grazing-incidence wide angle X-ray scattering (GI-WAXS), and transmission electron microscopy (TEM) were used to confirm the level of dispersion. These characterization techniques are in conjunction with its nanomechanical properties via strain-induced buckling instability for modulus measurements (SIEBIMM), a high throughput technique to characterize thin film mechanical properties. The linear strengthening trend of the elastic modulus enhancements was fitted with Halpin-Tsai (HT) model, correlating the nanoparticle geometric effects and mechanical behaviors based on continuum theories. The overall aspect ratio of dispersed tactoids obtained through HT model fitting is in reasonable agreement with digital electron microscope image analysis. Moreover, glass transition behaviors of the composites were characterized using broadband dielectric relaxation spectroscopy. The segmental relaxation behaviors indicate that the associated mechanical property changes are due to the continuum filler effect rather than the interfacial confinement effect.

Space-resolved diffusing wave spectroscopy measurements of the macroscopic deformation and the microscopic dynamics in tensile strain tests

NASA Astrophysics Data System (ADS)

Nagazi, Med-Yassine; Brambilla, Giovanni; Meunier, Gérard; Marguerès, Philippe; Périé, Jean-Noël; Cipelletti, Luca

2017-01-01

We couple a laser-based, space-resolved dynamic light scattering apparatus to a universal traction machine for mechanical extensional tests. We perform simultaneous optical and mechanical measurements on polyether ether ketone, a semi-crystalline polymer widely used in the industry. Due to the high turbidity of the sample, light is multiply scattered by the sample and the diffusing wave spectroscopy (DWS) formalism is used to interpret the data. Space-resolved DWS yields spatial maps of the sample strain and of the microscopic dynamics. An excellent agreement is found between the strain maps thus obtained and those measured by a conventional stereo-digital image correlation technique. The microscopic dynamics reveals both affine motion and plastic rearrangements. Thanks to the extreme sensitivity of DWS to displacements as small as 1 nm, plastic activity and its spatial localization can be detected at an early stage of the sample strain, making the technique presented here a valuable complement to existing material characterization methods.

Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework

NASA Astrophysics Data System (ADS)

Ryder, Matthew R.; Van de Voorde, Ben; Civalleri, Bartolomeo; Bennett, Thomas D.; Mukhopadhyay, Sanghamitra; Cinque, Gianfelice; Fernandez-Alonso, Felix; De Vos, Dirk; Rudić, Svemir; Tan, Jin-Chong

2017-06-01

We show clear experimental evidence of cooperative terahertz (THz) dynamics observed below 3 THz (˜100 cm-1 ), for a low-symmetry Zr-based metal-organic framework structure, termed MIL-140A [ZrO (O2C-C 6H4-CO2) ]. Utilizing a combination of high-resolution inelastic neutron scattering and synchrotron radiation far-infrared spectroscopy, we measured low-energy vibrations originating from the hindered rotations of organic linkers, whose energy barriers and detailed dynamics have been elucidated via ab initio density functional theory calculations. The complex pore architecture caused by the THz rotations has been characterized. We discovered an array of soft modes with trampolinelike motions, which could potentially be the source of anomalous mechanical phenomena such as negative thermal expansion. Our results demonstrate coordinated shear dynamics (2.47 THz), a mechanism which we have shown to destabilize the framework structure, in the exact crystallographic direction of the minimum shear modulus (Gmin ).

Dynamic Crushing Response of Closed-cell Aluminium Foam at Variable Strain Rates

NASA Astrophysics Data System (ADS)

Islam, M. A.; Kader, M. A.; Escobedo, J. P.; Hazell, P. J.; Appleby-Thomas, G. J.; Quadir, M. Z.

2015-06-01

The impact response of aluminium foams is essential for assessing their crashworthiness and energy absorption capacity for potential applications. The dynamic compactions of closed-cell aluminium foams (CYMAT) have been tested at variable strain rates. Microstructural characterization has also been carried out. The low strain rate impact test has been carried out using drop weight experiments while the high strain compaction test has been carried out via plate impact experiments. The post impacted samples have been examined using optical and electron microscopy to observe the microstructural changes during dynamic loading. This combination of dynamic deformation during impact and post impact microstructural analysis helped to evaluate the pore collapse mechanism and impact energy absorption characteristics.

A network of molecular switches controls the activation of the two-component response regulator NtrC

NASA Astrophysics Data System (ADS)

Vanatta, Dan K.; Shukla, Diwakar; Lawrenz, Morgan; Pande, Vijay S.

2015-06-01

Recent successes in simulating protein structure and folding dynamics have demonstrated the power of molecular dynamics to predict the long timescale behaviour of proteins. Here, we extend and improve these methods to predict molecular switches that characterize conformational change pathways between the active and inactive state of nitrogen regulatory protein C (NtrC). By employing unbiased Markov state model-based molecular dynamics simulations, we construct a dynamic picture of the activation pathways of this key bacterial signalling protein that is consistent with experimental observations and predicts new mutants that could be used for validation of the mechanism. Moreover, these results suggest a novel mechanistic paradigm for conformational switching.

Characterization of human plasma proteome dynamics using deuterium oxide.

PubMed

Wang, Ding; Liem, David A; Lau, Edward; Ng, Dominic C M; Bleakley, Brian J; Cadeiras, Martin; Deng, Mario C; Lam, Maggie P Y; Ping, Peipei

2014-08-01

High-throughput quantification of human protein turnover via in vivo administration of deuterium oxide ((2) H2 O) is a powerful new approach to examine potential disease mechanisms. Its immediate clinical translation is contingent upon characterizations of the safety and hemodynamic effects of in vivo administration of (2) H2 O to human subjects. We recruited ten healthy human subjects with a broad demographic variety to evaluate the safety, feasibility, efficacy, and reproducibility of (2) H2 O intake for studying protein dynamics. We designed a protocol where each subject orally consumed weight-adjusted doses of 70% (2) H2 O daily for 14 days to enrich body water and proteins with deuterium. Plasma proteome dynamics was measured using a high-resolution MS method we recently developed. This protocol was successfully applied in ten human subjects to characterize the endogenous turnover rates of 542 human plasma proteins, the largest such human dataset to-date. Throughout the study, we did not detect physiological effects or signs of discomfort from (2) H2 O consumption. Our investigation supports the utility of a (2) H2 O intake protocol that is safe, accessible, and effective for clinical investigations of large-scale human protein turnover dynamics. This workflow shows promising clinical translational value for examining plasma protein dynamics in human diseases. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization of human plasma proteome dynamics using deuterium oxide

PubMed Central

Wang, Ding; Liem, David A; Lau, Edward; Ng, Dominic CM; Bleakley, Brian J; Cadeiras, Martin; Deng, Mario C; Lam, Maggie PY; Ping, Peipei

2016-01-01

Purpose High-throughput quantification of human protein turnover via in vivo administration of deuterium oxide (2H2O) is a powerful new approach to examine potential disease mechanisms. Its immediate clinical translation is contingent upon characterizations of the safety and hemodynamic effects of in vivo administration of 2H2O to human subjects. Experimental design We recruited 10 healthy human subjects with a broad demographic variety to evaluate the safety, feasibility, efficacy, and reproducibility of 2H2O intake for studying protein dynamics. We designed a protocol where each subject orally consumed weight-adjusted doses of 70% 2H2O daily for 14 days to enrich body water and proteins with deuterium. Plasma proteome dynamics was measured using a high-resolution MS method we recently developed. Results This protocol was successfully applied in 10 human subjects to characterize the endogenous turnover rates of 542 human plasma proteins, the largest such human dataset to-date. Throughout the study, we did not detect physiological effects or signs of discomfort from 2H2O consumption. Conclusions and clinical relevance Our investigation supports the utility of a 2H2O intake protocol that is safe, accessible, and effective for clinical investigations of large-scale human protein turnover dynamics. This workflow shows promising clinical translational value for examining plasma protein dynamics in human diseases. PMID:24946186

Multistructure index in revealing complexity of regulatory mechanisms of human cardiovascular system at rest and orthostatic stress in healthy humans

NASA Astrophysics Data System (ADS)

Makowiec, Danuta; Graff, Beata; Struzik, Zbigniew R.

2017-02-01

Biological regulation is sufficiently complex to pose an enduring challenge for characterization of both its equilibrium and transient non-equilibrium dynamics. Two univariate but coupled observables, heart rate and systolic blood pressure, are commonly characterized in the benchmark example of the human cardiovascular regulatory system. Asymmetric distributions of accelerations and decelerations of heart rate, as well as rises and falls in systolic blood pressure, recorded in humans during a head-up tilt test provide insights into the dynamics of cardiovascular response to a rapid, controlled deregulation of the system's homeostasis. The baroreflex feedback loop is assumed to be the fundamental physiological mechanism for ensuring homeostatic blood supply to distant organs at rest and during orthostatic stress, captured in a classical beat-to-beat autoregressive model of baroreflex by de Boer et al. (1987). For model corroboration, a multistructure index statistic is proposed, seamlessly evaluating the size spectrum of magnitudes of neural reflexes such as baroreflex, responsible for maintaining the homeostatic dynamics. The multistructure index exposes a distinctly different dynamics of multiscale asymmetry between results obtained from real-life signals recorded from healthy subjects and those simulated using both the classical and perturbed versions of the model. Nonlinear effects observed suggest the pronounced presence of complex mechanisms resulting from baroreflex regulation when a human is at rest, which is aggravated in the system's response to orthostatic stress. Using our methodology of multistructure index, we therefore show a marked difference between model and real-life scenarios, which we attribute to multiscale asymmetry of non-linear origin in real-life signals, which we are not reproducible by the classical model.

Atmospheric circulation of extrasolar giant planets

NASA Astrophysics Data System (ADS)

Showman, A. P.

2012-12-01

Of the many known extrasolar planets, over 100 have orbital semi-major axes less than 0.1 AU, and a significant fraction of these hot Jupiters and Neptunes are known to transit their stars, allowing them to be characterized with the Spitzer, Hubble, and groundbased telescopes. The stellar flux incident on these planets is expected to drive an atmospheric circulation that shapes the day-night temperature difference, infrared light curves, spectra, albedo, and atmospheric composition, and recent Spitzer infrared light curves show evidence for dynamical meteorology in these planets' atmospheres. Here, I will survey basic dynamical ideas and detailed 3D numerical models that illuminate the atmospheric circulation of these exotic, tidally locked planets. These models suggest that, generally, the circulation will be characterized by broad, fast zonal jets, with day-night temperature contrasts at the photosphere that may vary from small in some cases to large in others. I will discuss the dynamical mechanisms for maintaining the fast zonal jets that develop in these models, as well as the mechanisms for controlling the temperature patterns, including the day-night temperature contrasts. These mechanisms help to explain current observations, and they predict regime transitions for how the wind and temperature patterns should vary with the incident stellar flux, strength of atmospheric drag, and other parameters. These transitions are observable and in some cases are already becoming evident in the data. I will also compare the circulation of the hot Jupiters to that of young, massive giant planets being directly imaged around other stars, which will be the subject of a new observational vanguard over the next decade. To emphasize the similarities as well as differences, I will ground this discussion in our understanding of the more familiar atmospheric dynamical regime of Earth, as well as our "local" giant planets Jupiter, Saturn, Uranus, and Neptune.

Atmospheric circulation of extrasolar giant planets

NASA Astrophysics Data System (ADS)

Showman, A. P.

2011-12-01

Of the many known extrasolar planets, nearly 200 have orbital semi-major axes less than 0.1 AU, and a significant fraction of these hot Jupiters and Neptunes are known to transit their stars, allowing them to be characterized with the Spitzer, Hubble, and groundbased telescopes. The stellar flux incident on these planets is expected to drive an atmospheric circulation that shapes the day-night temperature difference, infrared light curves, spectra, albedo, and atmospheric composition, and recent Spitzer infrared light curves show evidence for dynamical meteorology in these planets' atmospheres. Here, I will survey basic dynamical ideas and detailed 3D numerical models that illuminate the atmospheric circulation of these exotic, tidally locked planets. These models suggest that, generally, the circulation will be characterized by broad, fast zonal jets, with day-night temperature contrasts at the photosphere that may vary from small in some cases to large in others. I will discuss the dynamical mechanisms for maintaining the fast zonal jets that develop in these models, as well as the mechanisms for controlling the temperature patterns, including the day-night temperature contrasts. These mechanisms help to explain current observations, and they predict regime transitions for how the wind and temperature patterns should vary with the incident stellar flux, strength of atmospheric drag, and other parameters. These transitions are observable and in some cases are already becoming evident in the data. I will also compare the circulation of the hot Jupiters to that of young, massive giant planets being directly imaged around other stars, which will be the subject of a new observational vanguard over the next decade. To emphasize the similarities as well as differences, I will ground this discussion in our understanding of the more familiar atmospheric dynamical regime of Earth, as well as our "local" giant planets Jupiter, Saturn, Uranus, and Neptune.

Miscibility and thermal behavior of poly (ε-caprolactone)/long-chain ester of cellulose blends

Treesearch

Yuzhi Xu; Chunpeng Wang; Nicole M. Stark; Zhiyong Cai; Fuxiang Chu

2012-01-01

The long-chain cellulose ester (LCCE) cellulose laurate, poly(ε-caprolactone) (PCL) and their blends were characterized by tensile strength, Fourier transform infrared spectroscopy (FTIR), dynamic mechanical thermal analysis, thermogravimetric analysis (TGA), and transmission electron microscopy (TEM). The compatibility of the blends was...

High-Temperature Deformation Behavior of HCP Alloys -- An Internal Variable Approach

DTIC Science & Technology

2006-05-31

successfully to characterize the high temperature deformation behavior of various metallic materials such as Al alloys, Pb-Sn hyper- eutectic alloy, and...implying dynamic recrystallization (DRX) and GBS as the major deformation mechanisms at 523 K and 10-4 /s. Large cavities are observed at the

Motor Cortex Reorganization across the Lifespan

ERIC Educational Resources Information Center

Plowman, Emily K.; Kleim, Jeffrey A.

2010-01-01

The brain is a highly dynamic structure with the capacity for profound structural and functional change. Such neural plasticity has been well characterized within motor cortex and is believed to represent one of the neural mechanisms for acquiring and modifying motor behaviors. A number of behavioral and neural signals have been identified that…

Research in nonlinear structural and solid mechanics

NASA Technical Reports Server (NTRS)

Mccomb, H. G., Jr. (Compiler); Noor, A. K. (Compiler)

1980-01-01

Nonlinear analysis of building structures and numerical solution of nonlinear algebraic equations and Newton's method are discussed. Other topics include: nonlinear interaction problems; solution procedures for nonlinear problems; crash dynamics and advanced nonlinear applications; material characterization, contact problems, and inelastic response; and formulation aspects and special software for nonlinear analysis.

Characterization of Nanocomposites by Thermal Analysis

PubMed Central

Corcione, Carola Esposito; Frigione, Mariaenrica

2012-01-01

In materials research, the development of polymer nanocomposites (PN) is rapidly emerging as a multidisciplinary research field with results that could broaden the applications of polymers to many different industries. PN are polymer matrices (thermoplastics, thermosets or elastomers) that have been reinforced with small quantities of nano-sized particles, preferably characterized by high aspect ratios, such as layered silicates and carbon nanotubes. Thermal analysis (TA) is a useful tool to investigate a wide variety of properties of polymers and it can be also applied to PN in order to gain further insight into their structure. This review illustrates the versatile applications of TA methods in the emerging field of polymer nanomaterial research, presenting some examples of applications of differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), dynamic mechanical thermal analysis (DMTA) and thermal mechanical analysis (TMA) for the characterization of nanocomposite materials.

Computational Materials Research

NASA Technical Reports Server (NTRS)

Hinkley, Jeffrey A. (Editor); Gates, Thomas S. (Editor)

1996-01-01

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.

A Comparative Study of [CaEDTA](2-) and [MgEDTA](2-): Structural and Dynamical Insights from Quantum Mechanical Charge Field Molecular Dynamics.

PubMed

Tirler, Andreas O; Hofer, Thomas S

2015-07-09

Structure and dynamics of [MgEDTA](2-) and [CaEDTA](2-) complexes in aqueous solution have been investigated via quantum mechanical/molecular mechanical (QM/MM) simulations. While for the first a 6-fold octahedral complex has been observed, the presence of an additional coordinating water ligand has been observed in the latter case. Because of rapidly exchanging water molecules, this 7-fold coordination complex was found to form pentagonal bipyramidal as well as capped trigonal prismatic configurations along the simulation interchanging on the picosecond time scale. Also in the case of [MgEDTA](2-) a trigonal prismatic configuration has been observed for a very short time period of approximately 1 ps. This work reports for the first time the presence of trigonal prismatic structures observed in the coordination sphere of [MgEDTA](2-) and [CaEDTA](2-) complexes in aqueous solution. In addition to the detailed characterization of structure and dynamics of the systems, the prediction of the associated infrared spectra indicates that the ion-water vibrational mode found at approximately 250 cm(-1) provides a distinctive measure to experimentally detect the presence of the coordinating water molecule via low-frequency IR setups.

Unsteady flow challenges tracking performance at vortex shedding frequencies without disrupting lift mechanisms

NASA Astrophysics Data System (ADS)

Matthews, Megan; Sponberg, Simon

2017-11-01

Birds, insects, and many animals use unsteady aerodynamic mechanisms to achieve stable hovering flight. Natural environments are often characterized by unsteady flows causing animals to dynamically respond to perturbations while performing complex tasks, such as foraging. Little is known about how unsteady flow around an animal interacts with already unsteady flow in the environment or how this impacts performance. We study how the environment impacts maneuverability to reveal any coupling between body dynamics and aerodynamics for hawkmoths, Manduca sexta,tracking a 3D-printed robotic flower in a wind tunnel. We also observe the leading-edge vortex (LEV), a known lift-generating mechanism for insect flight with smoke visualization. Moths in still and unsteady air exhibit near perfect tracking at low frequencies, but tracking in the flower wake results in larger overshoot at mid-range. Smoke visualization of the flower wake shows that the dominant vortex shedding corresponds to the same frequency band as the increased overshoot. Despite the large effect on flight dynamics, the LEV remains bound to the wing and thorax throughout the wingstroke. In general, unsteady wind seems to decrease maneuverability, but LEV stability seems decoupled from changes in flight dynamics.

Non-equilibrium dynamics due to moving deflagration front at RDX/HTPB interface

NASA Astrophysics Data System (ADS)

Chaudhuri, Santanu; Joshi, Kaushik; Lacevic, Naida

Reactive dissipative particle dynamics (DPD-RX), a promising tool in characterizing the sensitivity and performance of heterogeneous solid propellants like polymer bonded explosives (PSXs), requires further testing for non-equilibrium dynamics. It is important to understand detailed atomistic chemistry for developing coarse grain reactive models needed for the DPD-RX. In order to obtain insights into combustion chemistry of RDX/HTPB binder, we used reactive molecular dynamics (RMD) to obtain energy up-pumping and reaction mechanisms at RDX/HTPB interface when exposed to a self-sustaining deflagration front. Hot spots are ignited near and away from the heterogeneous interface using the thermal pulse. The results show that the hot spot near interface significantly delays the transition from ignition to deflagration. We will present the mechanical response and the combustion chemistry of HTPB when the propagating deflagration front hits the polymer binder. We will discuss our efforts to incorporate this RMD based chemistry into the DPD-RX which will enable us to perform such non-equilibrium dynamics simulations on large-length scale with microstructural heterogeneities. Funding from DTRA Grant Number HDTRA1-15-1-0034 is acknowledged.

Dynamic compression of synthetic diamond windows (final report for LDRD project 93531).

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

Dolan, Daniel H.,

2008-09-01

Diamond is an attractive dynamic compression window for many reasons: high elastic limit,large mechanical impedance, and broad transparency range. Natural diamonds, however, aretoo expensive to be used in destructive experiments. Chemical vapor deposition techniquesare now able to produce large single-crystal windows, opening up many potential dynamiccompression applications. This project studied the behavior of synthetic diamond undershock wave compression. The results suggest that synthetic diamond could be a usefulwindow in this field, though complete characterization proved elusive.3

Application of the time-temperature superposition principle to the mechanical characterization of elastomeric adhesives for crash simulation purposes

NASA Astrophysics Data System (ADS)

Rauh, A.; Hinterhölzl, R.; Drechsler, K.

2012-05-01

In the automotive industry, finite element simulation is widely used to ensure crashworthiness. Mechanical material data over wide strain rate and temperature ranges are required as a basis. This work proposes a method reducing the cost of mechanical material characterization by using the time-temperature superposition principle on elastomeric adhesives. The method is based on the time and temperature interdependence which is characteristic for mechanical properties of polymers. Based on the assumption that polymers behave similarly at high strain rates and at low temperatures, a temperature-dominated test program is suggested, which can be used to deduce strain rate dependent material behavior at different reference temperatures. The temperature shift factor is found by means of dynamic mechanical analysis according to the WLF-equation, named after Williams, Landel and Ferry. The principle is applied to the viscoelastic properties as well as to the failure properties of the polymer. The applicability is validated with high strain rate tests.

Advance of Mechanically Controllable Break Junction for Molecular Electronics.

PubMed

Wang, Lu; Wang, Ling; Zhang, Lei; Xiang, Dong

2017-06-01

Molecular electronics stands for the ultimate size of functional elements, keeping up with an unstoppable trend over the past few decades. As a vital component of molecular electronics, single molecular junctions have attracted significant attention from research groups all over the world. Due to its pronounced superiority, the mechanically controllable break junctions (MCBJ) technique has been widely applied to characterize the dynamic performance of single molecular junctions. This review presents a system analysis for single-molecule junctions and offers an overview of four test-beds for single-molecule junctions, thus offering more insight into the mechanisms of electron transport. We mainly focus on the development of state-of-the-art mechanically controlled break junctions. The three-terminal gated MCBJ approaches are introduced to manipulate the electron transport of molecules, and MCBJs are combined with characterization techniques. Additionally, applications of MCBJs and remarkable properties of single molecules are addressed. Finally, the challenges and perspective for the mechanically controllable break junctions technique are provided.

Unveiling the molecular mechanism of self-healing in a telechelic, supramolecular polymer network

PubMed Central

Yan, Tingzi; Schröter, Klaus; Herbst, Florian; Binder, Wolfgang H.; Thurn-Albrecht, Thomas

2016-01-01

Reversible polymeric networks can show self-healing properties due to their ability to reassemble after application of stress and fracture, but typically the relation between equilibrium molecular dynamics and self-healing kinetics has been difficult to disentangle. Here we present a well-characterized, self-assembled bulk network based on supramolecular assemblies, that allows a clear distinction between chain dynamics and network relaxation. Small angle x-ray scattering and rheological measurements provide evidence for a structurally well-defined, dense network of interconnected aggregates giving mechanical strength to the material. Different from a covalent network, the dynamic character of the supramolecular bonds enables macroscopic flow on a longer time scale and the establishment of an equilibrium structure. A combination of linear and nonlinear rheological measurements clearly identifies the terminal relaxation process as being responsible for the process of self-healing. PMID:27581380

Understanding the barriers to crystal growth: dynamical simulation of the dissolution and growth of urea from aqueous solution.

PubMed

Piana, Stefano; Gale, Julian D

2005-02-16

Both the dissolution and growth of a molecular crystalline material, urea, has been studied using dynamical atomistic simulation. The kinetic steps of dissolution and growth are clearly identified, and the activation energies for each possible step are calculated. Our molecular dynamics simulations indicate that crystal growth on the [001] face is characterized by a nucleation and growth mechanism. Nucleation on the [001] urea crystal face is predicted to occur at a very high rate, followed by rapid propagation of the steps. The rate-limiting step for crystallization is actually found to be the removal of surface defects, rather than the initial formation of the next surface layer. Through kinetic Monte Carlo modeling of the surface growth, it is found that this crystal face evolves via a rough surface topography, rather than a clean layer-by-layer mechanism.

Metal-organic frameworks with dynamic interlocked components

NASA Astrophysics Data System (ADS)

Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.

2012-06-01

The dynamics of mechanically interlocked molecules such as rotaxanes and catenanes have been studied in solution as examples of rudimentary molecular switches and machines, but in this medium, the molecules are randomly dispersed and their motion incoherent. As a strategy for achieving a higher level of molecular organization, we have constructed a metal-organic framework material using a [2]rotaxane as the organic linker and binuclear Cu(II) units as the nodes. Activation of the as-synthesized material creates a void space inside the rigid framework that allows the soft macrocyclic ring of the [2]rotaxane to rotate rapidly, unimpeded by neighbouring molecular components. Variable-temperature 13C and 2H solid-state NMR experiments are used to characterize the nature and rate of the dynamic processes occurring inside this unique material. These results provide a blueprint for the future creation of solid-state molecular switches and molecular machines based on mechanically interlocked molecules.

The Physics of Protoplanetesimal Dust Agglomerates. IX. Mechanical Properties of Dust Aggregates Probed by a Solid-projectile Impact

NASA Astrophysics Data System (ADS)

Katsuragi, Hiroaki; Blum, Jürgen

2017-12-01

Dynamic characterization of mechanical properties of dust aggregates has been one of the most important problems to quantitatively discuss the dust growth in protoplanetary disks. We experimentally investigate the dynamic properties of dust aggregates by low-speed (≤slant 3.2 m s-1) impacts of solid projectiles. Spherical impactors made of glass, steel, or lead are dropped onto a dust aggregate with a packing fraction of ϕ = 0.35 under vacuum conditions. The impact results in cratering or fragmentation of the dust aggregate, depending on the impact energy. The crater shape can be approximated by a spherical segment and no ejecta are observed. To understand the underlying physics of impacts into dust aggregates, the motion of the solid projectile is acquired by a high-speed camera. Using the obtained position data of the impactor, we analyze the drag-force law and dynamic pressure induced by the impact. We find that there are two characteristic strengths. One is defined by the ratio between impact energy and crater volume and is ≃120 kPa. The other strength indicates the fragmentation threshold of dynamic pressure and is ≃10 kPa. The former characterizes the apparent plastic deformation and is consistent with the drag force responsible for impactor deceleration. The latter corresponds to the dynamic tensile strength to create cracks. Using these results, a simple model for the compaction and fragmentation threshold of dust aggregates is proposed. In addition, the comparison of drag-force laws for dust aggregates and loose granular matter reveals the similarities and differences between the two materials.

Development and Characterization of a Parallelizable Perfusion Bioreactor for 3D Cell Culture.

PubMed

Egger, Dominik; Fischer, Monica; Clementi, Andreas; Ribitsch, Volker; Hansmann, Jan; Kasper, Cornelia

2017-05-25

The three dimensional (3D) cultivation of stem cells in dynamic bioreactor systems is essential in the context of regenerative medicine. Still, there is a lack of bioreactor systems that allow the cultivation of multiple independent samples under different conditions while ensuring comprehensive control over the mechanical environment. Therefore, we developed a miniaturized, parallelizable perfusion bioreactor system with two different bioreactor chambers. Pressure sensors were also implemented to determine the permeability of biomaterials which allows us to approximate the shear stress conditions. To characterize the flow velocity and shear stress profile of a porous scaffold in both bioreactor chambers, a computational fluid dynamics analysis was performed. Furthermore, the mixing behavior was characterized by acquisition of the residence time distributions. Finally, the effects of the different flow and shear stress profiles of the bioreactor chambers on osteogenic differentiation of human mesenchymal stem cells were evaluated in a proof of concept study. In conclusion, the data from computational fluid dynamics and shear stress calculations were found to be predictable for relative comparison of the bioreactor geometries, but not for final determination of the optimal flow rate. However, we suggest that the system is beneficial for parallel dynamic cultivation of multiple samples for 3D cell culture processes.

Development and Characterization of a Parallelizable Perfusion Bioreactor for 3D Cell Culture

PubMed Central

Egger, Dominik; Fischer, Monica; Clementi, Andreas; Ribitsch, Volker; Hansmann, Jan; Kasper, Cornelia

2017-01-01

The three dimensional (3D) cultivation of stem cells in dynamic bioreactor systems is essential in the context of regenerative medicine. Still, there is a lack of bioreactor systems that allow the cultivation of multiple independent samples under different conditions while ensuring comprehensive control over the mechanical environment. Therefore, we developed a miniaturized, parallelizable perfusion bioreactor system with two different bioreactor chambers. Pressure sensors were also implemented to determine the permeability of biomaterials which allows us to approximate the shear stress conditions. To characterize the flow velocity and shear stress profile of a porous scaffold in both bioreactor chambers, a computational fluid dynamics analysis was performed. Furthermore, the mixing behavior was characterized by acquisition of the residence time distributions. Finally, the effects of the different flow and shear stress profiles of the bioreactor chambers on osteogenic differentiation of human mesenchymal stem cells were evaluated in a proof of concept study. In conclusion, the data from computational fluid dynamics and shear stress calculations were found to be predictable for relative comparison of the bioreactor geometries, but not for final determination of the optimal flow rate. However, we suggest that the system is beneficial for parallel dynamic cultivation of multiple samples for 3D cell culture processes. PMID:28952530

Self-Assembly Behavior of Amphiphilic Janus Dendrimers in Water: A Combined Experimental and Coarse-Grained Molecular Dynamics Simulation Approach.

PubMed

Elizondo-García, Mariana E; Márquez-Miranda, Valeria; Araya-Durán, Ingrid; Valencia-Gallegos, Jesús A; González-Nilo, Fernando D

2018-04-21

Amphiphilic Janus dendrimers (JDs) are repetitively branched molecules with hydrophilic and hydrophobic components that self-assemble in water to form a variety of morphologies, including vesicles analogous to liposomes with potential pharmaceutical and medical application. To date, the self-assembly of JDs has not been fully investigated thus it is important to gain insight into its mechanism and dependence on JDs’ molecular structure. In this study, the aggregation behavior in water of a second-generation bis-MPA JD was evaluated using experimental and computational methods. Dispersions of JDs in water were carried out using the thin-film hydration and ethanol injection methods. Resulting assemblies were characterized by dynamic light scattering, confocal microscopy, and atomic force microscopy. Furthermore, a coarse-grained molecular dynamics (CG-MD) simulation was performed to study the mechanism of JDs aggregation. The obtaining of assemblies in water with no interdigitated bilayers was confirmed by the experimental characterization and CG-MD simulation. Assemblies with dendrimersome characteristics were obtained using the ethanol injection method. The results of this study establish a relationship between the molecular structure of the JD and the properties of its aggregates in water. Thus, our findings could be relevant for the design of novel JDs with tailored assemblies suitable for drug delivery systems.

Kv1 channels control spike threshold dynamics and spike timing in cortical pyramidal neurones

PubMed Central

Higgs, Matthew H; Spain, William J

2011-01-01

Abstract Previous studies showed that cortical pyramidal neurones (PNs) have a dynamic spike threshold that functions as a high-pass filter, enhancing spike timing in response to high-frequency input. While it is commonly assumed that Na+ channel inactivation is the primary mechanism of threshold accommodation, the possible role of K+ channel activation in fast threshold changes has not been well characterized. The present study tested the hypothesis that low-voltage activated Kv1 channels affect threshold dynamics in layer 2–3 PNs, using α-dendrotoxin (DTX) or 4-aminopyridine (4-AP) to block these conductances. We found that Kv1 blockade reduced the dynamic changes of spike threshold in response to a variety of stimuli, including stimulus-evoked synaptic input, current steps and ramps of varied duration, and noise. Analysis of the responses to noise showed that Kv1 channels increased the coherence of spike output with high-frequency components of the stimulus. A simple model demonstrates that a dynamic spike threshold can account for this effect. Our results show that the Kv1 conductance is a major mechanism that contributes to the dynamic spike threshold and precise spike timing of cortical PNs. PMID:21911608

Birth of an abstraction: a dynamical systems account of the discovery of an elsewhere principle in a category learning task.

PubMed

Tabor, Whitney; Cho, Pyeong W; Dankowicz, Harry

2013-01-01

Human participants and recurrent ("connectionist") neural networks were both trained on a categorization system abstractly similar to natural language systems involving irregular ("strong") classes and a default class. Both the humans and the networks exhibited staged learning and a generalization pattern reminiscent of the Elsewhere Condition (Kiparsky, 1973). Previous connectionist accounts of related phenomena have often been vague about the nature of the networks' encoding systems. We analyzed our network using dynamical systems theory, revealing topological and geometric properties that can be directly compared with the mechanisms of non-connectionist, rule-based accounts. The results reveal that the networks "contain" structures related to mechanisms posited by rule-based models, partly vindicating the insights of these models. On the other hand, they support the one mechanism (OM), as opposed to the more than one mechanism (MOM), view of symbolic abstraction by showing how the appearance of MOM behavior can arise emergently from one underlying set of principles. The key new contribution of this study is to show that dynamical systems theory can allow us to explicitly characterize the relationship between the two perspectives in implemented models. © 2013 Cognitive Science Society, Inc.

Spire and Formin 2 synergize and antagonize in regulating actin assembly in meiosis by a ping-pong mechanism.

PubMed

Montaville, Pierre; Jégou, Antoine; Pernier, Julien; Compper, Christel; Guichard, Bérengère; Mogessie, Binyam; Schuh, Melina; Romet-Lemonne, Guillaume; Carlier, Marie-France

2014-02-01

In mammalian oocytes, three actin binding proteins, Formin 2 (Fmn2), Spire, and profilin, synergistically organize a dynamic cytoplasmic actin meshwork that mediates translocation of the spindle toward the cortex and is required for successful fertilization. Here we characterize Fmn2 and elucidate the molecular mechanism for this synergy, using bulk solution and individual filament kinetic measurements of actin assembly dynamics. We show that by capping filament barbed ends, Spire recruits Fmn2 and facilitates its association with barbed ends, followed by rapid processive assembly and release of Spire. In the presence of actin, profilin, Spire, and Fmn2, filaments display alternating phases of rapid processive assembly and arrested growth, driven by a "ping-pong" mechanism, in which Spire and Fmn2 alternately kick off each other from the barbed ends. The results are validated by the effects of injection of Spire, Fmn2, and their interacting moieties in mouse oocytes. This original mechanism of regulation of a Rho-GTPase-independent formin, recruited by Spire at Rab11a-positive vesicles, supports a model for modulation of a dynamic actin-vesicle meshwork in the oocyte at the origin of asymmetric positioning of the meiotic spindle.

Extreme Mechanical Behavior of Nacre-Mimetic Graphene-Oxide and Silk Nanocomposites.

PubMed

Xie, Wanting; Tadepalli, Sirimuvva; Park, Sang Hyun; Kazemi-Moridani, Amir; Jiang, Qisheng; Singamaneni, Srikanth; Lee, Jae-Hwang

2018-02-14

Biological materials have the ability to withstand extreme mechanical forces due to their unique multilevel hierarchical structure. Here, we fabricated a nacre-mimetic nanocomposite comprised of silk fibroin and graphene oxide that exhibits hybridized dynamic responses arising from alternating high-contrast mechanical properties of the components at the nanoscale. Dynamic mechanical behavior of these nanocomposites is assessed through a microscale ballistic characterization using a 7.6 μm diameter silica sphere moving at a speed of approximately 400 m/s. The volume fraction of graphene oxide in these composites is systematically varied from 0 to 32 vol % to quantify the dynamic effects correlating with the structural morphologies of the graphene oxide flakes. Specific penetration energy of the films rapidly increases as the distribution of graphene oxide flakes evolves from noninteracting, isolated sheets to a partially overlapping continuous sheet. The specific penetration energy of the nanocomposite at the highest graphene oxide content tested here is found to be significantly higher than that of Kevlar fabrics and close to that of pure multilayer graphene. This study evidently demonstrates that the morphologies of nanoscale constituents and their interactions are critical to realize scalable high-performance nanocomposites using typical nanomaterial constituents having finite dimensions.

Slip behaviour of experimental faults subjected to fluid pressure stimulation: carbonates vs. shales

NASA Astrophysics Data System (ADS)

Collettini, C.; Scuderi, M. M.; Marone, C.

2017-12-01

Fluid overpressure is one of the primary mechanisms for triggering tectonic fault slip and human-induced seismicity. This mechanism has been invoked to explain the dramatic increase in seismicity associated with waste water disposal in intra-plate setting, and it is appealing because fluids lubricate the fault and reduce the effective normal stress that holds the fault in place. Although, this basic physical mechanism is well understood, several fundamental questions remain including the apparent delay between fluid injection and seismicity, the role of fault zone rheology, and the relationship between injection volume and earthquake size. Moreover, models of earthquake nucleation predict that a reduction in normal stress, as expected for fluid overpressure, should stabilize fault slip. Here, we address these questions using laboratory experiments, conducted in the double direct shear configuration in a true-triaxial machine on carbonates and shale fault gouges. In particular, we: 1) evaluate frictional strength and permeability, 2) characterize the rate- and state- friction parameters and 3) study fault slip evolution during fluid pressure stimulations. With increasing fluid pressure, when shear and effective normal stresses reach the failure condition, in calcite gouges, characterized by slightly velocity strengthening behaviour, we observe an acceleration of slip that spontaneously evolves into dynamic failure. For shale gouges, with a strong rate-strengthening behaviour, we document complex fault slip behavior characterized by periodic accelerations and decelerations with slip velocity that remains slow (i.e. v 200 µm/s), never approaching dynamic slip rates. Our data indicate that fault rheology and fault stability is controlled by the coupling between fluid pressure and rate- and state- friction parameters suggesting that their comprehensive characterization is fundamental for assessing the role of fluid pressure in natural and human induced earthquakes.

Integrated structural biology to unravel molecular mechanisms of protein-RNA recognition.

PubMed

Schlundt, Andreas; Tants, Jan-Niklas; Sattler, Michael

2017-04-15

Recent advances in RNA sequencing technologies have greatly expanded our knowledge of the RNA landscape in cells, often with spatiotemporal resolution. These techniques identified many new (often non-coding) RNA molecules. Large-scale studies have also discovered novel RNA binding proteins (RBPs), which exhibit single or multiple RNA binding domains (RBDs) for recognition of specific sequence or structured motifs in RNA. Starting from these large-scale approaches it is crucial to unravel the molecular principles of protein-RNA recognition in ribonucleoprotein complexes (RNPs) to understand the underlying mechanisms of gene regulation. Structural biology and biophysical studies at highest possible resolution are key to elucidate molecular mechanisms of RNA recognition by RBPs and how conformational dynamics, weak interactions and cooperative binding contribute to the formation of specific, context-dependent RNPs. While large compact RNPs can be well studied by X-ray crystallography and cryo-EM, analysis of dynamics and weak interaction necessitates the use of solution methods to capture these properties. Here, we illustrate methods to study the structure and conformational dynamics of protein-RNA complexes in solution starting from the identification of interaction partners in a given RNP. Biophysical and biochemical techniques support the characterization of a protein-RNA complex and identify regions relevant in structural analysis. Nuclear magnetic resonance (NMR) is a powerful tool to gain information on folding, stability and dynamics of RNAs and characterize RNPs in solution. It provides crucial information that is complementary to the static pictures derived from other techniques. NMR can be readily combined with other solution techniques, such as small angle X-ray and/or neutron scattering (SAXS/SANS), electron paramagnetic resonance (EPR), and Förster resonance energy transfer (FRET), which provide information about overall shapes, internal domain arrangements and dynamics. Principles of protein-RNA recognition and current approaches are reviewed and illustrated with recent studies. Copyright © 2017 Elsevier Inc. All rights reserved.

Characterization of the dynamics of the atmosphere of Venus with Doppler velocimetry

NASA Astrophysics Data System (ADS)

Machado, Pedro Miguel Borges do Canto Mota

Currently the study of the Venus' atmosphere grows as a theme of major interest among the astrophysics scientific community. The most significant aspect of the general circulation of the atmosphere of Venus is its retrograde super-rotation. A complete characterization of this dynamical phenomenon is crucial for understanding its driving mechanisms. This work participates in the international effort to characterize the atmospheric dynamics of this planet in coordination with orbiter missions, in particular with Venus Express. The objectives of this study are to investigate the nature of the processes governing the super-rotation of the atmosphere of Venus using ground-based observations, thereby complementing measurements by orbiter instruments. This thesis analyzes observations of Venus made with two different instruments and Doppler velocimetry techniques. The data analysis technique allowed an unambiguous characterization of the zonal wind latitudinal profile and its temporal variability, as well as an investigation of large-scale planetary waves signature and their role in the maintenance of the zonal super-rotation, and suggest that detection and investigation of large-scale planetary waves can be carried out with this technique.These studies complement the independent observations of the european space mission Venus Express, in particular as regards the study of atmospheric super-rotation, meridional flow and its variability. (Abstract shortened by ProQuest.).

Extremal flows in Wasserstein space

NASA Astrophysics Data System (ADS)

Conforti, Giovanni; Pavon, Michele

2018-06-01

We develop an intrinsic geometric approach to the calculus of variations in the Wasserstein space. We show that the flows associated with the Schrödinger bridge with general prior, with optimal mass transport, and with the Madelung fluid can all be characterized as annihilating the first variation of a suitable action. We then discuss the implications of this unified framework for stochastic mechanics: It entails, in particular, a sort of fluid-dynamic reconciliation between Bohm's and Nelson's stochastic mechanics.

Hurst exponent: A Brownian approach to characterize the nonlinear behavior of red blood cells deformability

NASA Astrophysics Data System (ADS)

Mancilla Canales, M. A.; Leguto, A. J.; Riquelme, B. D.; León, P. Ponce de; Bortolato, S. A.; Korol, A. M.

2017-12-01

Ektacytometry techniques quantifies red blood cells (RBCs) deformability by measuring the elongation of suspended RBCs subjected to shear stress. Raw shear stress elongation plots are difficult to understand, thus most research papers apply data reduction methods characterizing the relationship between curve fitting. Our approach works with the naturally generated photometrically recorded time series of the diffraction pattern of several million of RBCs subjected to shear stress, and applies nonlinear quantifiers to study the fluctuations of these elongations. The development of new quantitative methods is crucial for restricting the subjectivity in the study of the cells behavior, mainly if they are capable of analyze at the same time biological and mechanical aspects of the cells in flowing conditions and compare their dynamics. A patented optical system called Erythrocyte Rheometer was used to evaluate viscoelastic properties of erythrocytes by Ektacytometry. To analyze cell dynamics we used the technique of Time Delay Coordinates, False Nearest Neighbors, the forecasting procedure proposed by Sugihara and May, and Hurst exponent. The results have expressive meaning on comparing healthy samples with parasite treated samples, suggesting that apparent noise associated with deterministic chaos can be used not only to distinguish but also to characterize biological and mechanical aspects of cells at the same time in flowing conditions.

Peripheral neuropathic pain: a mechanism-related organizing principle based on sensory profiles

PubMed Central

Baron, Ralf; Maier, Christoph; Attal, Nadine; Binder, Andreas; Bouhassira, Didier; Cruccu, Giorgio; Finnerup, Nanna B.; Haanpää, Maija; Hansson, Per; Hüllemann, Philipp; Jensen, Troels S.; Freynhagen, Rainer; Kennedy, Jeffrey D.; Magerl, Walter; Mainka, Tina; Reimer, Maren; Rice, Andrew S.C.; Segerdahl, Märta; Serra, Jordi; Sindrup, Sören; Sommer, Claudia; Tölle, Thomas; Vollert, Jan; Treede, Rolf-Detlef

2016-01-01

Abstract Patients with neuropathic pain are heterogeneous in etiology, pathophysiology, and clinical appearance. They exhibit a variety of pain-related sensory symptoms and signs (sensory profile). Different sensory profiles might indicate different classes of neurobiological mechanisms, and hence subgroups with different sensory profiles might respond differently to treatment. The aim of the investigation was to identify subgroups in a large sample of patients with neuropathic pain using hypothesis-free statistical methods on the database of 3 large multinational research networks (German Research Network on Neuropathic Pain (DFNS), IMI-Europain, and Neuropain). Standardized quantitative sensory testing was used in 902 (test cohort) and 233 (validation cohort) patients with peripheral neuropathic pain of different etiologies. For subgrouping, we performed a cluster analysis using 13 quantitative sensory testing parameters. Three distinct subgroups with characteristic sensory profiles were identified and replicated. Cluster 1 (sensory loss, 42%) showed a loss of small and large fiber function in combination with paradoxical heat sensations. Cluster 2 (thermal hyperalgesia, 33%) was characterized by preserved sensory functions in combination with heat and cold hyperalgesia and mild dynamic mechanical allodynia. Cluster 3 (mechanical hyperalgesia, 24%) was characterized by a loss of small fiber function in combination with pinprick hyperalgesia and dynamic mechanical allodynia. All clusters occurred across etiologies but frequencies differed. We present a new approach of subgrouping patients with peripheral neuropathic pain of different etiologies according to intrinsic sensory profiles. These 3 profiles may be related to pathophysiological mechanisms and may be useful in clinical trial design to enrich the study population for treatment responders. PMID:27893485

Peripheral neuropathic pain: a mechanism-related organizing principle based on sensory profiles.

PubMed

Baron, Ralf; Maier, Christoph; Attal, Nadine; Binder, Andreas; Bouhassira, Didier; Cruccu, Giorgio; Finnerup, Nanna B; Haanpää, Maija; Hansson, Per; Hüllemann, Philipp; Jensen, Troels S; Freynhagen, Rainer; Kennedy, Jeffrey D; Magerl, Walter; Mainka, Tina; Reimer, Maren; Rice, Andrew S C; Segerdahl, Märta; Serra, Jordi; Sindrup, Sören; Sommer, Claudia; Tölle, Thomas; Vollert, Jan; Treede, Rolf-Detlef

2017-02-01

Patients with neuropathic pain are heterogeneous in etiology, pathophysiology, and clinical appearance. They exhibit a variety of pain-related sensory symptoms and signs (sensory profile). Different sensory profiles might indicate different classes of neurobiological mechanisms, and hence subgroups with different sensory profiles might respond differently to treatment. The aim of the investigation was to identify subgroups in a large sample of patients with neuropathic pain using hypothesis-free statistical methods on the database of 3 large multinational research networks (German Research Network on Neuropathic Pain (DFNS), IMI-Europain, and Neuropain). Standardized quantitative sensory testing was used in 902 (test cohort) and 233 (validation cohort) patients with peripheral neuropathic pain of different etiologies. For subgrouping, we performed a cluster analysis using 13 quantitative sensory testing parameters. Three distinct subgroups with characteristic sensory profiles were identified and replicated. Cluster 1 (sensory loss, 42%) showed a loss of small and large fiber function in combination with paradoxical heat sensations. Cluster 2 (thermal hyperalgesia, 33%) was characterized by preserved sensory functions in combination with heat and cold hyperalgesia and mild dynamic mechanical allodynia. Cluster 3 (mechanical hyperalgesia, 24%) was characterized by a loss of small fiber function in combination with pinprick hyperalgesia and dynamic mechanical allodynia. All clusters occurred across etiologies but frequencies differed. We present a new approach of subgrouping patients with peripheral neuropathic pain of different etiologies according to intrinsic sensory profiles. These 3 profiles may be related to pathophysiological mechanisms and may be useful in clinical trial design to enrich the study population for treatment responders.

Dynamic mechanical oscillations during metamorphosis of the monarch butterfly

PubMed Central

Pelling, Andrew E; Wilkinson, Paul R; Stringer, Richard; Gimzewski, James K

2008-01-01

The mechanical oscillation of the heart is fundamental during insect metamorphosis, but it is unclear how morphological changes affect its mechanical dynamics. Here, the micromechanical heartbeat with the monarch chrysalis (Danaus plexippus) during metamorphosis is compared with the structural changes observed through in vivo magnetic resonance imaging (MRI). We employ a novel ultra-sensitive detection approach, optical beam deflection, in order to measure the microscale motions of the pupae during the course of metamorphosis. We observed very distinct mechanical contractions occurring at regular intervals, which we ascribe to the mechanical function of the heart organ. Motion was observed to occur in approximately 15 min bursts of activity with frequencies in the 0.4–1.0 Hz range separated by periods of quiescence during the first 83 per cent of development. In the final stages, the beating was found to be uninterrupted until the adult monarch butterfly emerged. Distinct stages of development were characterized by changes in frequency, amplitude, mechanical quality factor and de/repolarization times of the mechanical pulsing. The MRI revealed that the heart organ remains functionally intact throughout metamorphosis but undergoes morphological changes that are reflected in the mechanical oscillation. PMID:18682363

Characterization of the Vajont landslide (North-Eastern Italy) by means of reflection and surface wave seismics

NASA Astrophysics Data System (ADS)

Petronio, Lorenzo; Boaga, Jacopo; Cassiani, Giorgio

2016-05-01

The mechanisms of the disastrous Vajont rockslide (North-Eastern Italy, October 9, 1963) have been studied in great detail over the past five decades. Nevertheless, the reconstruction of the rockslide dynamics still presents several uncertainties, including those related to the accurate estimation of the actual landslide mass. This work presents the results of a geophysical characterization of the Vajont landslide body in terms of material properties and buried geometry. Both aspects add new information to the existing dataset and will help a better understanding of the rockslide failure mechanisms and dynamics. In addition, some general considerations concerning the intricacies of landslide characterization can be drawn, with due attention to potential pitfalls. The employed techniques are: (i) high resolution P-wave reflection, (ii) high resolution SH-wave reflection, (iii) controlled source surface wave analysis. We adopted as a seismic source a vibrator both for P waves and SH waves, using vertical and horizontal geophones respectively. For the surface wave seismic survey we used a heavy drop-weight source and low frequency receivers. Despite the high noise level caused by the fractured conditions of the large rock body, a common situation in landslide studies, we managed to achieve a satisfying imaging quality of the landslide structure thanks to the large number of active channels, the short receiver interval and the test of appropriate seismic sources. The joint use of different seismic techniques help focus the investigation on the rock mass mechanical properties. Results are in good agreement with the available borehole data, the geological sections and the mechanical properties of the rockmass estimated by other studies. In general the proposed approach is likely to be applicable successfully to similar situations where scattering and other noise sources are a typical bottleneck to geophysical data acquisition on landslide bodies.

Optical characterization of high speed microscanners based on static slit profiling method

NASA Astrophysics Data System (ADS)

Alaa Elhady, A.; Sabry, Yasser M.; Khalil, Diaa

2017-01-01

Optical characterization of high-speed microscanners is a challenging task that usually requires special high speed, extremely expensive camera systems. This paper presents a novel simple method to characterize the scanned beam spot profile and size in high-speed optical scanners under operation. It allows measuring the beam profile and the spot sizes at different scanning angles. The method is analyzed theoretically and applied experimentally on the characterization of a Micro Electro Mechanical MEMS scanner operating at 2.6 kHz. The variation of the spot size versus the scanning angle, up to ±15°, is extracted and the dynamic bending curvature effect of the micromirror is predicted.

Dynamic calibration of a wheelchair dynamometer.

PubMed

DiGiovine, C P; Cooper, R A; Boninger, M L

2001-01-01

The inertia and resistance of a wheelchair dynamometer must be determined in order to compare the results of one study to another, independent of the type of device used. The purpose of this study was to describe and implement a dynamic calibration test for characterizing the electro-mechanical properties of a dynamometer. The inertia, the viscous friction, the kinetic friction, the motor back-electromotive force constant, and the motor constant were calculated using three different methods. The methodology based on a dynamic calibration test along with a nonlinear regression analysis produced the best results. The coefficient of determination comparing the dynamometer model output to the measured angular velocity and torque was 0.999 for a ramp input and 0.989 for a sinusoidal input. The inertia and resistance were determined for the rollers and the wheelchair wheels. The calculation of the electro-mechanical parameters allows for the complete description of the propulsive torque produced by an individual, given only the angular velocity and acceleration. The measurement of the electro-mechanical properties of the dynamometer as well as the wheelchair/human system provides the information necessary to simulate real-world conditions.

Dynamics of Intact MexAB-OprM Efflux Pump: Focusing on the MexA-OprM Interface

DOE PAGES

Lopez, Cesar A.; Travers, Timothy; Pos, Klaas M.; ...

2017-11-28

Antibiotic efflux is one of the most critical mechanisms leading to bacterial multidrug resistance. Antibiotics are effluxed out of the bacterial cell by a tripartite efflux pump, a complex machinery comprised of outer membrane, periplasmic adaptor, and inner membrane protein components. Understanding the mechanism of efflux pump assembly and its dynamics could facilitate discovery of novel approaches to counteract antibiotic resistance in bacteria. We built here an intact atomistic model of the Pseudomonas aeruginosa MexAB-OprM pump in a Gram-negative membrane model that contained both inner and outer membranes separated by a periplasmic space. All-atom molecular dynamics (MD) simulations confirm thatmore » the fully assembled pump is stable in the microsecond timescale. Using a combination of all-atom and coarse-grained MD simulations and sequence covariation analysis, we characterized the interface between MexA and OprM in the context of the entire efflux pump. These analyses suggest a plausible mechanism by which OprM is activated via opening of its periplasmic aperture through a concerted interaction with MexA.« less

Dynamics of Intact MexAB-OprM Efflux Pump: Focusing on the MexA-OprM Interface

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

Lopez, Cesar A.; Travers, Timothy; Pos, Klaas M.

Antibiotic efflux is one of the most critical mechanisms leading to bacterial multidrug resistance. Antibiotics are effluxed out of the bacterial cell by a tripartite efflux pump, a complex machinery comprised of outer membrane, periplasmic adaptor, and inner membrane protein components. Understanding the mechanism of efflux pump assembly and its dynamics could facilitate discovery of novel approaches to counteract antibiotic resistance in bacteria. We built here an intact atomistic model of the Pseudomonas aeruginosa MexAB-OprM pump in a Gram-negative membrane model that contained both inner and outer membranes separated by a periplasmic space. All-atom molecular dynamics (MD) simulations confirm thatmore » the fully assembled pump is stable in the microsecond timescale. Using a combination of all-atom and coarse-grained MD simulations and sequence covariation analysis, we characterized the interface between MexA and OprM in the context of the entire efflux pump. These analyses suggest a plausible mechanism by which OprM is activated via opening of its periplasmic aperture through a concerted interaction with MexA.« less

4D optical coherence tomography of aortic valve dynamics in a murine mouse model ex vivo

NASA Astrophysics Data System (ADS)

Schnabel, Christian; Jannasch, Anett; Faak, Saskia; Waldow, Thomas; Koch, Edmund

2015-07-01

The heart and its mechanical components, especially the heart valves and leaflets, are under enormous strain during lifetime. Like all highly stressed materials, also these biological components undergo fatigue and signs of wear, which impinge upon cardiac output and in the end on health and living comfort of affected patients. Thereby pathophysiological changes of the aortic valve leading to calcific aortic valve stenosis (AVS) as most frequent heart valve disease in humans are of particular interest. The knowledge about changes of the dynamic behavior during the course of this disease and the possibility of early stage diagnosis could lead to the development of new treatment strategies and drug-based options of prevention or therapy. ApoE-/- mice as established model of AVS versus wildtype mice were introduced in an ex vivo artificially stimulated heart model. 4D optical coherence tomography (OCT) in combination with high-speed video microscopy were applied to characterize dynamic behavior of the murine aortic valve and to characterize dynamic properties during artificial stimulation. OCT and high-speed video microscopy with high spatial and temporal resolution represent promising tools for the investigation of dynamic behavior and their changes in calcific aortic stenosis disease models in mice.

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

Song, Bo; Nelson, Kevin; Jin, Helena

Iridium alloys have been utilized as structural materials for certain high-temperature applications, due to their superior strength and ductility at elevated temperatures. The mechanical properties, including failure response at high strain rates and elevated temperatures of the iridium alloys need to be characterized to better understand high-speed impacts at elevated temperatures. A DOP-26 iridium alloy has been dynamically characterized in compression at elevated temperatures with high-temperature Kolsky compression bar techniques. However, the dynamic high-temperature compression tests were not able to provide sufficient dynamic high-temperature failure information of the iridium alloy. In this study, we modified current room-temperature Kolsky tension barmore » techniques for obtaining dynamic tensile stress-strain curves of the DOP-26 iridium alloy at two different strain rates (~1000 and ~3000 s-1) and temperatures (~750°C and ~1030°C). The effects of strain rate and temperature on the tensile stress-strain response of the iridium alloy were determined. The DOP-26 iridium alloy exhibited high ductility in stress-strain response that strongly depended on both strain rate and temperature.« less

Vacuolar and cytoskeletal dynamics during elicitor-induced programmed cell death in tobacco BY-2 cells.

PubMed

Higaki, Takumi; Kadota, Yasuhiro; Goh, Tatsuaki; Hayashi, Teruyuki; Kutsuna, Natsumaro; Sano, Toshio; Hasezawa, Seiichiro; Kuchitsu, Kazuyuki

2008-09-01

Responses of plant cells to environmental stresses often involve morphological changes, differentiation and redistribution of various organelles and cytoskeletal network. Tobacco BY-2 cells provide excellent model system for in vivo imaging of these intracellular events. Treatment of the cell cycle-synchronized BY-2 cells with a proteinaceous oomycete elicitor, cryptogein, induces highly synchronous programmed cell death (PCD) and provide a model system to characterize vacuolar and cytoskeletal dynamics during the PCD. Sequential observation revealed dynamic reorganization of the vacuole and actin microfilaments during the execution of the PCD. We further characterized the effects cryptogein on mitotic microtubule organization in cell cycle-synchronized cells. Cryptogein treatment at S phase inhibited formation of the preprophase band, a cortical microtubule band that predicts the cell division site. Cortical microtubules kept their random orientation till their disruption that gradually occurred during the execution of the PCD twelve hours after the cryptogein treatment. Possible molecular mechanisms and physiological roles of the dynamic behavior of the organelles and cytoskeletal network in the pathogenic signal-induced PCD are discussed.

The effect of deformation temperature on the microstructure evolution of Inconel 625 superalloy

NASA Astrophysics Data System (ADS)

Guo, Qingmiao; Li, Defu; Guo, Shengli; Peng, Haijian; Hu, Jie

2011-07-01

Hot compression tests of Inconel 625 superalloy were conducted using a Gleeble-1500 simulator between 900 °C and 1200 °C with different true strains and a strain rate of 0.1 s -1. Scanning electron microscope (SEM) and electron backscatter diffraction technique (EBSD) were employed to investigate the effect of deformation temperature on the microstructure evolution and nucleation mechanisms of dynamic recrystallization (DRX). It is found that the relationship between the DRX grain size and the peak stress can be expressed by a power law function. Significant influence of deformation temperatures on the nucleation mechanisms of DRX are observed at different deformation stages. At lower deformation temperatures, continuous dynamic recrystallization (CDRX) characterized by progressive subgrain rotation is considered as the main mechanism of DRX at the early deformation stage. However, discontinuous dynamic recrystallization (DDRX) with bulging of the original grain boundaries becomes the operating mechanism of DRX at the later deformation stage. At higher deformation temperatures, DDRX is the primary mechanism of DRX, while CDRX can only be considered as an assistant mechanism at the early deformation stage. Nucleation of DRX can also be activated by the twinning formation. With increasing the deformation temperature, the effect of DDRX accompanied with twinning formation grows stronger, while the effect of CDRX grows weaker. Meanwhile, the position of subgrain formation shifts gradually from the interior of original grains to the vicinity of the original boundaries.

Application of humidity-controlled dynamic mechanical analysis (DMA-RH) to moisture-sensitive edible casein films for use in food packaging

USDA-ARS?s Scientific Manuscript database

Protein-based and other hydrophilic thin films are promising materials for the manufacture of edible food packaging and other food and non-food applications. Calcium caseinate (CaCas) films are highly hygroscopic and physical characterization under broad environmental conditions is critical to appli...

Integrated Modeling and Experiments to Characterize Coupled Thermo-hydro-geomechanical-chemical processes in Hydraulic Fracturing

NASA Astrophysics Data System (ADS)

Viswanathan, H. S.; Carey, J. W.; Karra, S.; Porter, M. L.; Rougier, E.; Kang, Q.; Makedonska, N.; Hyman, J.; Jimenez Martinez, J.; Frash, L.; Chen, L.

2015-12-01

Hydraulic fracturing phenomena involve fluid-solid interactions embedded within coupled thermo-hydro-mechanical-chemical (THMC) processes over scales from microns to tens of meters. Feedbacks between processes result in complex dynamics that must be unraveled if one is to predict and, in the case of unconventional resources, facilitate fracture propagation, fluid flow, and interfacial transport processes. The proposed work is part of a broader class of complex systems involving coupled fluid flow and fractures that are critical to subsurface energy issues, such as shale oil, geothermal, carbon sequestration, and nuclear waste disposal. We use unique LANL microfluidic and triaxial core flood experiments integrated with state-of-the-art numerical simulation to reveal the fundamental dynamics of fracture-fluid interactions to characterize the key coupled processes that impact hydrocarbon production. We are also comparing CO2-based fracturing and aqueous fluids to enhance production, greatly reduce waste water, while simultaneously sequestering CO2. We will show pore, core and reservoir scale simulations/experiments that investigate the contolling mechanisms that control hydrocarbon production.

Electromechanical modelling for piezoelectric flextensional actuators

NASA Astrophysics Data System (ADS)

Liu, Jinghang; O'Connor, William J.; Ahearne, Eamonn; Byrne, Gerald

2014-02-01

The piezoelectric flextensional actuator investigated in this paper comprises three pre-stressed piezoceramic lead zirconate titanate (PZT) stacks and an external, flexure-hinged, mechanical amplifier configuration. An electromechanical model is used to relate the electrical and mechanical domains, comprising the PZT stacks and the flexure mechanism, with the dynamic characteristics of the latter represented by a multiple degree-of-freedom dynamic model. The Maxwell resistive capacitive model is used to describe the nonlinear relationship between charge and voltage within the PZT stacks. The actuator model parameters and the electromechanical couplings of the PZT stacks, which describe the energy transfer between the electrical and mechanical domains, are experimentally identified without disassembling the embedded piezoceramic stacks. To verify the electromechanical model, displacement and frequency experiments are performed. There was good agreement between modelled and experimental results, with less than 1.5% displacement error. This work outlines a general process by which other pre-stressed piezoelectric flextensional actuators can be characterized, modelled and identified in a non-destructive way.

Characterization of structural connections using free and forced response test data

NASA Technical Reports Server (NTRS)

Lawrence, Charles; Huckelbridge, Arthur A.

1989-01-01

The accurate prediction of system dynamic response often has been limited by deficiencies in existing capabilities to characterize connections adequately. Connections between structural components often are complex mechanically, and difficult to accurately model analytically. Improved analytical models for connections are needed to improve system dynamic preditions. A procedure for identifying physical connection properties from free and forced response test data is developed, then verified utilizing a system having both a linear and nonlinear connection. Connection properties are computed in terms of physical parameters so that the physical characteristics of the connections can better be understood, in addition to providing improved input for the system model. The identification procedure is applicable to multi-degree of freedom systems, and does not require that the test data be measured directly at the connection locations.

Shape Mode Analysis Exposes Movement Patterns in Biology: Flagella and Flatworms as Case Studies

PubMed Central

Werner, Steffen; Rink, Jochen C.; Riedel-Kruse, Ingmar H.; Friedrich, Benjamin M.

2014-01-01

We illustrate shape mode analysis as a simple, yet powerful technique to concisely describe complex biological shapes and their dynamics. We characterize undulatory bending waves of beating flagella and reconstruct a limit cycle of flagellar oscillations, paying particular attention to the periodicity of angular data. As a second example, we analyze non-convex boundary outlines of gliding flatworms, which allows us to expose stereotypic body postures that can be related to two different locomotion mechanisms. Further, shape mode analysis based on principal component analysis allows to discriminate different flatworm species, despite large motion-associated shape variability. Thus, complex shape dynamics is characterized by a small number of shape scores that change in time. We present this method using descriptive examples, explaining abstract mathematics in a graphic way. PMID:25426857

Utilizing dynamic light scattering as a process analytical technology for protein folding and aggregation monitoring in vaccine manufacturing.

PubMed

Yu, Zhou; Reid, Jennifer C; Yang, Yan-Ping

2013-12-01

Protein aggregation is a common challenge in the manufacturing of biological products. It is possible to minimize the extent of aggregation through timely measurement and in-depth characterization of aggregation. In this study, we demonstrated the use of dynamic light scattering (DLS) to monitor inclusion body (IB) solubilization, protein refolding, and aggregation near the production line of a recombinant protein-based vaccine candidate. Our results were in good agreement with those measured by size-exclusion chromatography. DLS was also used to characterize the mechanism of aggregation. As DLS is a quick, nonperturbing technology, it can potentially be used as an at-line process analytical technology to ensure complete IB solubilization and aggregate-free refolding. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association.

How Is Acetylcholinesterase Phosphonylated by Soman? An Ab Initio QM/MM Molecular Dynamics Study

PubMed Central

2015-01-01

Acetylcholinesterase (AChE) is a crucial enzyme in the cholinergic nerve system that hydrolyzes acetylcholine (ACh) and terminates synaptic signals by reducing the effective concentration of ACh in the synaptic clefts. Organophosphate compounds irreversibly inhibit AChEs, leading to irreparable damage to nerve cells. By employing Born–Oppenheimer ab initio QM/MM molecular dynamics simulations with umbrella sampling, a state-of-the-art approach to simulate enzyme reactions, we have characterized the covalent inhibition mechanism between AChE and the nerve toxin soman and determined its free energy profile for the first time. Our results indicate that phosphonylation of the catalytic serine by soman employs an addition–elimination mechanism, which is highly associative and stepwise: in the initial addition step, which is also rate-limiting, His440 acts as a general base to facilitate the nucleophilic attack of Ser200 on the soman’s phosphorus atom to form a trigonal bipyrimidal pentacovalent intermediate; in the subsequent elimination step, Try121 of the catalytic gorge stabilizes the leaving fluorine atom prior to its dissociation from the active site. Together with our previous characterization of the aging mechanism of soman inhibited AChE, our simulations have revealed detailed molecular mechanistic insights into the damaging function of the nerve agent soman. PMID:24786171

Narrative review of the in vivo mechanics of the cervical spine after anterior arthrodesis as revealed by dynamic biplane radiography.

PubMed

Anderst, William

2016-01-01

Arthrodesis is the standard of care for numerous pathologic conditions of the cervical spine and is performed over 150,000 times annually in the United States. The primary long-term concern after this surgery is adjacent segment disease (ASD), defined as new clinical symptoms adjacent to a previous fusion. The incidence of adjacent segment disease is approximately 3% per year, meaning that within 10 years of the initial surgery, approximately 25% of cervical arthrodesis patients require a second procedure to address symptomatic adjacent segment degeneration. Despite the high incidence of ASD, until recently, there was little data available to characterize in vivo adjacent segment mechanics during dynamic motion. This manuscript reviews recent advances in our knowledge of adjacent segment mechanics after cervical arthrodesis that have been facilitated by the use of dynamic biplane radiography. The primary observations from these studies are that current in vitro test paradigms often fail to replicate in vivo spine mechanics before and after arthrodesis, that intervertebral mechanics vary among cervical motion segments, and that joint arthrokinematics (i.e., the interactions between adjacent vertebrae) are superior to traditional kinematics measurements for identifying altered adjacent segment mechanics after arthrodesis. Future research challenges are identified, including improving the biofidelity of in vitro tests, determining the natural history of in vivo spine mechanics, conducting prospective longitudinal studies on adjacent segment kinematics and arthrokinematics after single and multiple-level arthrodesis, and creating subject-specific computational models to accurately estimate muscle forces and tissue loading in the spine during dynamic activities. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

True Triaxial Experimental Study of Rockbursts Induced By Ramp and Cyclic Dynamic Disturbances

NASA Astrophysics Data System (ADS)

Su, Guoshao; Hu, Lihua; Feng, Xiating; Yan, Liubin; Zhang, Gangliang; Yan, Sizhou; Zhao, Bin; Yan, Zhaofu

2018-04-01

A modified rockburst testing system was utilized to reproduce rockbursts induced by ramp and cyclic dynamic disturbances with a low-intermediate strain rate of 2 × 10-3-5 × 10-3 s-1 in the laboratory. The experimental results show that both the ramp and cyclic dynamic disturbances play a significant role in inducing rockbursts. In the tests of rockbursts induced by a ramp dynamic disturbance, as the static stress before the dynamic disturbance increases, both the strength of specimens and the kinetic energy of the ejected fragments first increase and then decrease. In the tests of rockbursts induced by a cyclic dynamic disturbance, there exists a rockburst threshold of the static stress and the dynamic disturbance amplitude, and the kinetic energy of the ejected fragments first increases and then decreases as the cyclic dynamic disturbance frequency increases. The main differences between rockbursts induced by ramp dynamic disturbances and those induced by cyclic dynamic disturbances are as follows: the rockburst development process of the former is characterized by an impact failure feature, while that of the latter is characterized by a fatigue failure feature; the damage evolution curve of the specimen of the former has a leap-developing form with a significant catastrophic feature, while that of the latter has an inverted S-shape with a remarkable fatigue damage characteristic; the energy mechanism of the former involves the ramp dynamic disturbance giving extra elastic strain energy to rocks, while that of the latter involves the cyclic dynamic disturbance decreasing the ultimate energy storage capacity of rocks.

EBSD characterization of low temperature deformation mechanisms in modern alloys

NASA Astrophysics Data System (ADS)

Kozmel, Thomas S., II

For structural applications, grain refinement has been shown to enhance mechanical properties such as strength, fatigue resistance, and fracture toughness. Through control of the thermos-mechanical processing parameters, dynamic recrystallization mechanisms were used to produce microstructures consisting of sub-micron grains in 9310 steel, 4140 steel, and Ti-6Al-4V. In both 9310 and 4140 steel, the distribution of carbides throughout the microstructure affected the ability of the material to dynamically recrystallize and determined the size of the dynamically recrystallized grains. Processing the materials at lower temperatures and higher strain rates resulted in finer dynamically recrystallized grains. Microstructural process models that can be used to estimate the resulting microstructure based on the processing parameters were developed for both 9310 and 4140 steel. Heat treatment studies performed on 9310 steel showed that the sub-micron grain size obtained during deformation could not be retained due to the low equilibrium volume fraction of carbides. Commercially available aluminum alloys were investigated to explain their high strain rate deformation behavior. Alloys such as 2139, 2519, 5083, and 7039 exhibit strain softening after an ultimate strength is reached, followed by a rapid degradation of mechanical properties after a critical strain level has been reached. Microstructural analysis showed that the formation of shear bands typically preceded this rapid degradation in properties. Shear band boundary misorientations increased as a function of equivalent strain in all cases. Precipitation behavior was found to greatly influence the microstructural response of the alloys. Additionally, precipitation strengthened alloys were found to exhibit similar flow stress behavior, whereas solid solution strengthened alloys exhibited lower flow stresses but higher ductility during dynamic loading. Schmid factor maps demonstrated that shear band formation behavior was influenced by texturing in these alloys.

Dynamics of networks of excitatory and inhibitory neurons in response to time-dependent inputs.

PubMed

Ledoux, Erwan; Brunel, Nicolas

2011-01-01

We investigate the dynamics of recurrent networks of excitatory (E) and inhibitory (I) neurons in the presence of time-dependent inputs. The dynamics is characterized by the network dynamical transfer function, i.e., how the population firing rate is modulated by sinusoidal inputs at arbitrary frequencies. Two types of networks are studied and compared: (i) a Wilson-Cowan type firing rate model; and (ii) a fully connected network of leaky integrate-and-fire (LIF) neurons, in a strong noise regime. We first characterize the region of stability of the "asynchronous state" (a state in which population activity is constant in time when external inputs are constant) in the space of parameters characterizing the connectivity of the network. We then systematically characterize the qualitative behaviors of the dynamical transfer function, as a function of the connectivity. We find that the transfer function can be either low-pass, or with a single or double resonance, depending on the connection strengths and synaptic time constants. Resonances appear when the system is close to Hopf bifurcations, that can be induced by two separate mechanisms: the I-I connectivity and the E-I connectivity. Double resonances can appear when excitatory delays are larger than inhibitory delays, due to the fact that two distinct instabilities exist with a finite gap between the corresponding frequencies. In networks of LIF neurons, changes in external inputs and external noise are shown to be able to change qualitatively the network transfer function. Firing rate models are shown to exhibit the same diversity of transfer functions as the LIF network, provided delays are present. They can also exhibit input-dependent changes of the transfer function, provided a suitable static non-linearity is incorporated.

Minireview: DNA Replication in Plant Mitochondria

PubMed Central

Cupp, John D.; Nielsen, Brent L.

2014-01-01

Higher plant mitochondrial genomes exhibit much greater structural complexity as compared to most other organisms. Unlike well-characterized metazoan mitochondrial DNA (mtDNA) replication, an understanding of the mechanism(s) and proteins involved in plant mtDNA replication remains unclear. Several plant mtDNA replication proteins, including DNA polymerases, DNA primase/helicase, and accessory proteins have been identified. Mitochondrial dynamics, genome structure, and the complexity of dual-targeted and dual-function proteins that provide at least partial redundancy suggest that plants have a unique model for maintaining and replicating mtDNA when compared to the replication mechanism utilized by most metazoan organisms. PMID:24681310

The Dynamic Brain: From Spiking Neurons to Neural Masses and Cortical Fields

PubMed Central

Deco, Gustavo; Jirsa, Viktor K.; Robinson, Peter A.; Breakspear, Michael; Friston, Karl

2008-01-01

The cortex is a complex system, characterized by its dynamics and architecture, which underlie many functions such as action, perception, learning, language, and cognition. Its structural architecture has been studied for more than a hundred years; however, its dynamics have been addressed much less thoroughly. In this paper, we review and integrate, in a unifying framework, a variety of computational approaches that have been used to characterize the dynamics of the cortex, as evidenced at different levels of measurement. Computational models at different space–time scales help us understand the fundamental mechanisms that underpin neural processes and relate these processes to neuroscience data. Modeling at the single neuron level is necessary because this is the level at which information is exchanged between the computing elements of the brain; the neurons. Mesoscopic models tell us how neural elements interact to yield emergent behavior at the level of microcolumns and cortical columns. Macroscopic models can inform us about whole brain dynamics and interactions between large-scale neural systems such as cortical regions, the thalamus, and brain stem. Each level of description relates uniquely to neuroscience data, from single-unit recordings, through local field potentials to functional magnetic resonance imaging (fMRI), electroencephalogram (EEG), and magnetoencephalogram (MEG). Models of the cortex can establish which types of large-scale neuronal networks can perform computations and characterize their emergent properties. Mean-field and related formulations of dynamics also play an essential and complementary role as forward models that can be inverted given empirical data. This makes dynamic models critical in integrating theory and experiments. We argue that elaborating principled and informed models is a prerequisite for grounding empirical neuroscience in a cogent theoretical framework, commensurate with the achievements in the physical sciences. PMID:18769680

Automated fiber tracking and tissue characterization of the anterior cruciate ligament with optical coherence tomography

NASA Astrophysics Data System (ADS)

Balasubramanian, Priya S.; Guo, Jiaqi; Yao, Xinwen; Qu, Dovina; Lu, Helen H.; Hendon, Christine P.

2017-02-01

The directionality of collagen fibers across the anterior cruciate ligament (ACL) as well as the insertion of this key ligament into bone are important for understanding the mechanical integrity and functionality of this complex tissue. Quantitative analysis of three-dimensional fiber directionality is of particular interest due to the physiological, mechanical, and biological heterogeneity inherent across the ACL-to-bone junction, the behavior of the ligament under mechanical stress, and the usefulness of this information in designing tissue engineered grafts. We have developed an algorithm to characterize Optical Coherence Tomography (OCT) image volumes of the ACL. We present an automated algorithm for measuring ligamentous fiber angles, and extracting attenuation and backscattering coefficients of ligament, interface, and bone regions within mature and immature bovine ACL insertion samples. Future directions include translating this algorithm for real time processing to allow three-dimensional volumetric analysis within dynamically moving samples.

Temperature effect on mechanical and tribological characterization of Mg-SiC nanocomposite fabricated by high rate compaction

NASA Astrophysics Data System (ADS)

Majzoobi, G. H.; Rahmani, K.; Atrian, A.

2018-01-01

In this paper, dynamic compaction is employed to produce Mg-SiC nanocomposite samples using a mechanical drop hammer. Different volume fractions of SiC nano reinforcement and magnesium (Mg) micron-size powder as the matrix are mechanically milled and consolidated at different temperatures. It is found that with the increase of temperature the sintering requirements is satisfied and higher quality samples are fabricated. The density, hardness, compressive strength and the wear resistance of the compacted specimens are characterized in this work. It was found that by increasing the content of nano reinforcement, the relative density of the compacted samples decreases, whereas, the micro-hardness and the strength of the samples enhance. Furthermore, higher densification temperatures lead to density increase and hardness reduction. Additionally, it is found that the wear rate of the nanocomposite is increased remarkably by increasing the SiC nano reinforcement.

Carrier dynamics in silicon nanowires studied using optical-pump terahertz-probe spectroscopy

NASA Astrophysics Data System (ADS)

Beaudoin, Alexandre; Salem, Bassem; Baron, Thierry; Gentile, Pascal; Morris, Denis

2014-03-01

The advance of non-contact measurements involving pulsed terahertz radiation presents great interests for characterizing electrical properties of a large ensemble of nanowires. In this work, N-doped and undoped silicon nanowires (SiNWs) grown by chemical vapour deposition (CVD) on quartz substrate were characterized using optical-pump terahertz probe (OPTP) transmission experiments. Our results show that defects and ionized impurities introduced by N-doping the CVD-grown SiNWs tend to reduce the photoexcited carrier lifetime and degrade their conductivity properties. Capture mechanisms by the surface trap states play a key role on the photocarrier dynamics in theses small diameters' (~100 nm) SiNWs and the doping level is found to alter this dynamics. We propose convincing capture and recombination scenarios that explain our OPTP measurements. Fits of our photoconductivity data curves, from 0.5 to 2 THz, using a Drude-plasmon conductivity model allow determining photocarrier mobility values of 190 and 70 cm2/V .s, for the undoped and N-doped NWs samples, respectively.

Correlative live and super-resolution imaging reveals the dynamic structure of replication domains.

PubMed

Xiang, Wanqing; Roberti, M Julia; Hériché, Jean-Karim; Huet, Sébastien; Alexander, Stephanie; Ellenberg, Jan

2018-06-04

Chromosome organization in higher eukaryotes controls gene expression, DNA replication, and DNA repair. Genome mapping has revealed the functional units of chromatin at the submegabase scale as self-interacting regions called topologically associating domains (TADs) and showed they correspond to replication domains (RDs). A quantitative structural and dynamic description of RD behavior in the nucleus is, however, missing because visualization of dynamic subdiffraction-sized RDs remains challenging. Using fluorescence labeling of RDs combined with correlative live and super-resolution microscopy in situ, we determined biophysical parameters to characterize the internal organization, spacing, and mechanical coupling of RDs. We found that RDs are typically 150 nm in size and contain four co-replicating regions spaced 60 nm apart. Spatially neighboring RDs are spaced 300 nm apart and connected by highly flexible linker regions that couple their motion only <550 nm. Our pipeline allows a robust quantitative characterization of chromosome structure in situ and provides important biophysical parameters to understand general principles of chromatin organization. © 2018 Xiang et al.

Full-length model of the human galectin-4 and insights into dynamics of inter-domain communication

NASA Astrophysics Data System (ADS)

Rustiguel, Joane K.; Soares, Ricardo O. S.; Meisburger, Steve P.; Davis, Katherine M.; Malzbender, Kristina L.; Ando, Nozomi; Dias-Baruffi, Marcelo; Nonato, Maria Cristina

2016-09-01

Galectins are proteins involved in diverse cellular contexts due to their capacity to decipher and respond to the information encoded by β-galactoside sugars. In particular, human galectin-4, normally expressed in the healthy gastrointestinal tract, displays differential expression in cancerous tissues and is considered a potential drug target for liver and lung cancer. Galectin-4 is a tandem-repeat galectin characterized by two carbohydrate recognition domains connected by a linker-peptide. Despite their relevance to cell function and pathogenesis, structural characterization of full-length tandem-repeat galectins has remained elusive. Here, we investigate galectin-4 using X-ray crystallography, small- and wide-angle X-ray scattering, molecular modelling, molecular dynamics simulations, and differential scanning fluorimetry assays and describe for the first time a structural model for human galectin-4. Our results provide insight into the structural role of the linker-peptide and shed light on the dynamic characteristics of the mechanism of carbohydrate recognition among tandem-repeat galectins.

Physicochemical Characterization of Functional Lignin–Silica Hybrid Fillers for Potential Application in Abrasive Tools

PubMed Central

Strzemiecka, Beata; Klapiszewski, Łukasz; Jamrozik, Artur; Szalaty, Tadeusz J.; Matykiewicz, Danuta; Sterzyński, Tomasz; Voelkel, Adam; Jesionowski, Teofil

2016-01-01

Functional lignin–SiO2 hybrid fillers were prepared for potential application in binders for phenolic resins, and their chemical structure was characterized. The properties of these fillers and of composites obtained from them with phenolic resin were compared with those of systems with lignin or silica alone. The chemical structure of the materials was investigated by Fourier transform infrared spectroscopy (FT-IR) and carbon-13 nuclear magnetic resonance spectroscopy (13C CP MAS NMR). The thermal stability of the new functional fillers was examined by thermogravimetric analysis–mass spectrometry (TG-MS). Thermo-mechanical properties of the lignin–silica hybrids and resin systems were investigated by dynamic mechanical thermal analysis (DMTA). The DMTA results showed that abrasive composites with lignin–SiO2 fillers have better thermo-mechanical properties than systems with silica alone. Thus, fillers based on lignin might provide new, promising properties for the abrasive industry, combining the good properties of lignin as a plasticizer and of silica as a filler improving mechanical properties. PMID:28773639

Analysis and testing of a space crane articulating joint testbed

NASA Technical Reports Server (NTRS)

Sutter, Thomas R.; Wu, K. Chauncey

1992-01-01

The topics are presented in viewgraph form and include: space crane concept with mobile base; mechanical versus structural articulating joint; articulating joint test bed and reference truss; static and dynamic characterization completed for space crane reference truss configuration; improved linear actuators reduce articulating joint test bed backlash; 1-DOF space crane slew maneuver; boom 2 tip transient response finite element dynamic model; boom 2 tip transient response shear-corrected component modes torque driver profile; peak root member force vs. slew time torque driver profile; and open loop control of space crane motion.

Reconstruction of dynamical systems from resampled point processes produced by neuron models

NASA Astrophysics Data System (ADS)

Pavlova, Olga N.; Pavlov, Alexey N.

2018-04-01

Characterization of dynamical features of chaotic oscillations from point processes is based on embedding theorems for non-uniformly sampled signals such as the sequences of interspike intervals (ISIs). This theoretical background confirms the ability of attractor reconstruction from ISIs generated by chaotically driven neuron models. The quality of such reconstruction depends on the available length of the analyzed dataset. We discuss how data resampling improves the reconstruction for short amount of data and show that this effect is observed for different types of mechanisms for spike generation.

Nonlinear dynamic theory for photorefractive phase hologram formation

NASA Technical Reports Server (NTRS)

Kim, D. M.; Shah, R. R.; Rabson, T. A.; Tittle, F. K.

1976-01-01

A nonlinear dynamic theory is developed for the formation of photorefractive volume phase holograms. A feedback mechanism existing between the photogenerated field and free-electron density, treated explicitly, yields the growth and saturation of the space-charge field in a time scale characterized by the coupling strength between them. The expression for the field reduces in the short-time limit to previous theories and approaches in the long-time limit the internal or photovoltaic field. Additionally, the phase of the space charge field is shown to be time-dependent.

Mechanisms of amyloid formation revealed by solution NMR

PubMed Central

Karamanos, Theodoros K.; Kalverda, Arnout P.; Thompson, Gary S.; Radford, Sheena E.

2015-01-01

Amyloid fibrils are proteinaceous elongated aggregates involved in more than fifty human diseases. Recent advances in electron microscopy and solid state NMR have allowed the characterization of fibril structures to different extents of refinement. However, structural details about the mechanism of fibril formation remain relatively poorly defined. This is mainly due to the complex, heterogeneous and transient nature of the species responsible for assembly; properties that make them difficult to detect and characterize in structural detail using biophysical techniques. The ability of solution NMR spectroscopy to investigate exchange between multiple protein states, to characterize transient and low-population species, and to study high molecular weight assemblies, render NMR an invaluable technique for studies of amyloid assembly. In this article we review state-of-the-art solution NMR methods for investigations of: (a) protein dynamics that lead to the formation of aggregation-prone species; (b) amyloidogenic intrinsically disordered proteins; and (c) protein–protein interactions on pathway to fibril formation. Together, these topics highlight the power and potential of NMR to provide atomic level information about the molecular mechanisms of one of the most fascinating problems in structural biology. PMID:26282197

Ultrasonic assisted production of starch nanoparticles: Structural characterization and mechanism of disintegration.

PubMed

Boufi, Sami; Bel Haaj, Sihem; Magnin, Albert; Pignon, Frédéric; Impéror-Clerc, Marianne; Mortha, Gérard

2018-03-01

In this paper, the disintegration of starch (waxy and standard starch) granules into nanosized particles under the sole effect of high power ultrasonication treatment in water/isopropanol is investigated, by using wide methods of analysis. The present work aims at a fully characterization of the starch nanoparticles produced by ultrasonication, in terms of size, morphology and structural properties, and the proposition of a possible mechanism explaining the top-down generation of starch nanoparticles (SNPs) via high intensity ultrasonication. Dynamic light scattering measurements have indicated a leveling of the particle size to about 40nm after 75min of ultrasonication. The WAXD, DSC and Raman have revealed the amorphous character of the SNPs. FE-SEM. AFM observations have confirmed the size measured by DLS and suggested that SNPs exhibited 2D morphology of platelet-like shapes. This morphology is further supported by SAXS. On the basis of data collected from the different characterization techniques, a possible mechanism explaining the disintegration process of starch granules into NPs is proposed. Copyright © 2017 Elsevier B.V. All rights reserved.

Deciphering dynamics of clathrin-mediated endocytosis in a living organism

PubMed Central

Heidotting, Spencer P.; Huber, Scott D.

2016-01-01

Current understanding of clathrin-mediated endocytosis (CME) dynamics is based on detection and tracking of fluorescently tagged clathrin coat components within cultured cells. Because of technical limitations inherent to detection and tracking of single fluorescent particles, CME dynamics is not characterized in vivo, so the effects of mechanical cues generated during development of multicellular organisms on formation and dissolution of clathrin-coated structures (CCSs) have not been directly observed. Here, we use growth rates of fluorescence signals obtained from short CCS intensity trace fragments to assess CME dynamics. This methodology does not rely on determining the complete lifespan of individual endocytic assemblies. Therefore, it allows for real-time monitoring of spatiotemporal changes in CME dynamics and is less prone to errors associated with particle detection and tracking. We validate the applicability of this approach to in vivo systems by demonstrating the reduction of CME dynamics during dorsal closure of Drosophila melanogaster embryos. PMID:27458134

Random Evolution of Idiotypic Networks: Dynamics and Architecture

NASA Astrophysics Data System (ADS)

Brede, Markus; Behn, Ulrich

The paper deals with modelling a subsystem of the immune system, the so-called idiotypic network (INW). INWs, conceived by N.K. Jerne in 1974, are functional networks of interacting antibodies and B cells. In principle, Jernes' framework provides solutions to many issues in immunology, such as immunological memory, mechanisms for antigen recognition and self/non-self discrimination. Explaining the interconnection between the elementary components, local dynamics, network formation and architecture, and possible modes of global system function appears to be an ideal playground of statistical mechanics. We present a simple cellular automaton model, based on a graph representation of the system. From a simplified description of idiotypic interactions, rules for the random evolution of networks of occupied and empty sites on these graphs are derived. In certain biologically relevant parameter ranges the resultant dynamics leads to stationary states. A stationary state is found to correspond to a specific pattern of network organization. It turns out that even these very simple rules give rise to a multitude of different kinds of patterns. We characterize these networks by classifying `static' and `dynamic' network-patterns. A type of `dynamic' network is found to display many features of real INWs.

Functional connectivity dynamically evolves on multiple time-scales over a static structural connectome: Models and mechanisms.

PubMed

Cabral, Joana; Kringelbach, Morten L; Deco, Gustavo

2017-10-15

Over the last decade, we have observed a revolution in brain structural and functional Connectomics. On one hand, we have an ever-more detailed characterization of the brain's white matter structural connectome. On the other, we have a repertoire of consistent functional networks that form and dissipate over time during rest. Despite the evident spatial similarities between structural and functional connectivity, understanding how different time-evolving functional networks spontaneously emerge from a single structural network requires analyzing the problem from the perspective of complex network dynamics and dynamical system's theory. In that direction, bottom-up computational models are useful tools to test theoretical scenarios and depict the mechanisms at the genesis of resting-state activity. Here, we provide an overview of the different mechanistic scenarios proposed over the last decade via computational models. Importantly, we highlight the need of incorporating additional model constraints considering the properties observed at finer temporal scales with MEG and the dynamical properties of FC in order to refresh the list of candidate scenarios. Copyright © 2017 Elsevier Inc. All rights reserved.

Force Dynamics During T Cell Activation

NASA Astrophysics Data System (ADS)

Garcia, David A.; Upadhyaya, Arpita

T cell activation is an essential step in the adaptive immune response. The binding of the T cell receptor (TCR) with antigen triggers signaling cascades and cell spreading. Physical forces exerted on the TCR by the cytoskeleton have been shown to induce signaling events. While cellular forces are known to depend on the mechanical properties of the cytoskeleton, the biophysical mechanisms underlying force induced activation of TCR-antigen interactions unknown. Here, we use traction force microscopy to measure the force dynamics of activated Jurkat T cells. The movements of beads embedded in an elastic gel serve as a non-invasive reporter of cytoskeletal and molecular motor dynamics. We examined the statistical structure of the force profiles throughout the cell during signaling activation. We found two spatially distinct active regimes of force generation characterized by different time scales. Typically, the interior of the cells was found to be more active than the periphery. Inhibition of myosin motor activity altered the correlation time of the bead displacements indicating additional sources of stochastic force generation. Our results indicate a complex interaction between myosin activity and actin polymerization dynamics in producing cellular forces in immune cells.

Characterizing the Free-Energy Landscape of MDM2 Protein-Ligand Interactions by Steered Molecular Dynamics Simulations.

PubMed

Hu, Guodong; Xu, Shicai; Wang, Jihua

2015-12-01

Inhibition of p53-MDM2 interaction by small molecules is considered to be a promising approach to re-activate wild-type p53 for tumor suppression. Several inhibitors of the MDM2-p53 interaction were designed and studied by the experimental methods and the molecular dynamics simulation. However, the unbinding mechanism was still unclear. The steered molecular dynamics simulations combined with Brownian dynamics fluctuation-dissipation theorem were employed to obtain the free-energy landscape of unbinding between MDM2 and their four ligands. It was shown that compounds 4 and 8 dissociate faster than compounds 5 and 7. The absolute binding free energies for these four ligands are in close agreement with experimental results. The open movement of helix II and helix IV in the MDM2 protein-binding pocket upon unbinding is also consistent with experimental MDM2-unbound conformation. We further found that different binding mechanisms among different ligands are associated with H-bond with Lys51 and Glu25. These mechanistic results may be useful for improving ligand design. © 2015 John Wiley & Sons A/S.

The impact of intraglottal vortices on vocal fold dynamics

NASA Astrophysics Data System (ADS)

Erath, Byron; Pirnia, Alireza; Peterson, Sean

2016-11-01

During voiced speech a critical pressure is produced in the lungs that separates the vocal folds and creates a passage (the glottis) for airflow. As air passes through the vocal folds the resulting aerodynamic loading, coupled with the tissue properties of the vocal folds, produces self-sustained oscillations. Throughout each cycle a complex flow field develops, characterized by a plethora of viscous flow phenomena. Air passing through the glottis creates a jet, with periodically-shed vortices developing due to flow separation and the Kelvin-Helmholtz instability in the shear layer. These vortices have been hypothesized to be a crucial mechanism for producing vocal fold vibrations. In this study the effect of vortices on the vocal fold dynamics is investigated experimentally by passing a vortex ring over a flexible beam with the same non-dimensional mechanical properties as the vocal folds. Synchronized particle image velocimetry data are acquired in tandem with the beam dynamics. The resulting impact of the vortex ring loading on vocal fold dynamics is discussed in detail. This work was supported by the National Science Foundation Grant CBET #1511761.

Direct design of an energy landscape with bistable DNA origami mechanisms.

PubMed

Zhou, Lifeng; Marras, Alexander E; Su, Hai-Jun; Castro, Carlos E

2015-03-11

Structural DNA nanotechnology provides a feasible technique for the design and fabrication of complex geometries even exhibiting controllable dynamic behavior. Recently we have demonstrated the possibility of implementing macroscopic engineering design approaches to construct DNA origami mechanisms (DOM) with programmable motion and tunable flexibility. Here, we implement the design of compliant DNA origami mechanisms to extend from prescribing motion to prescribing an energy landscape. Compliant mechanisms facilitate motion via deformation of components with tunable stiffness resulting in well-defined mechanical energy stored in the structure. We design, fabricate, and characterize a DNA origami nanostructure with an energy landscape defined by two stable states (local energy minima) separated by a designed energy barrier. This nanostructure is a four-bar bistable mechanism with two undeformed states. Traversing between those states requires deformation, and hence mechanical energy storage, in a compliant arm of the linkage. The energy barrier for switching between two states was obtained from the conformational distribution based on a Boltzmann probability function and closely follows a predictive mechanical model. Furthermore, we demonstrated the ability to actuate the mechanism into one stable state via additional DNA inputs and then release the actuation via DNA strand displacement. This controllable multistate system establishes a foundation for direct design of energy landscapes that regulate conformational dynamics similar to biomolecular complexes.

Dynamic characterization of contact interactions of micro-robotic leg structures

NASA Astrophysics Data System (ADS)

Ryou, Jeong Hoon; Oldham, Kenn Richard

2014-05-01

Contact dynamics of microelectromechanical systems (MEMS) are typically complicated and it is consequently difficult to model all dynamic characteristics observed in time-domain responses involving impact. This issue becomes worse when a device, such as a mobile micro-robot, is not clamped to a substrate and has a complex mechanical structure. To characterize such a contact interaction situation, two walking micro-robot prototypes are tested having intentionally simple structures with different dimensions (21.2 mm × 16.3 mm × 0.75 mm and 32 mm × 25.4 mm × 4.1 mm) and weights (0.16 and 2.7 g). Contact interaction behaviors are characterized by analyzing experimental data under various excitation signals. A numerical approach was used to derive a novel contact model consisting of a coefficient of restitution matrix that uses modal vibration information. Experimental validation of the simulation model shows that it captures various dynamic features of the contact interaction when simulating leg behavior more accurately than previous contact models, such as single-point coefficient of restitution or compliant ground models. In addition, this paper shows that small-scale forces can be added to the simulation to improve model accuracy, resulting in average errors across driving conditions on the order of 2-6% for bounce frequency, maximum foot height, and average foot height, although there is substantial variation from case to case.

Nonholonomic diffusion of a stochastic sled

NASA Astrophysics Data System (ADS)

Jung, Peter; Marchegiani, Giampiero; Marchesoni, Fabio

2016-01-01

A sled is a stylized mechanical model of a system which is constrained to move in space in a specific orientation, i.e., in the direction of the runners of the sled or a blade. The negation of motion transverse to the runners renders the sled a nonholonomic mechanical system. In this paper we report on the unexpected and fascinating richness of the dynamics of such a sled if it is subject to random forces. Specifically we show that the ensuing random dynamics is characterized by relatively smooth sections of motion interspersed by episodes of persistent tumbling (change of orientation) and sharp reversals resembling the random walks of bacterial cells. In the presence of self-propulsion, the diffusivity of the sled can be enhanced and suppressed depending on the directionality and strength of the propulsive force.

Crystalline molecular machines: Encoding supramolecular dynamics into molecular structure

PubMed Central

Garcia-Garibay, Miguel A.

2005-01-01

Crystalline molecular machines represent an exciting new branch of crystal engineering and materials science with important implications to nanotechnology. Crystalline molecular machines are crystals built with molecules that are structurally programmed to respond collectively to mechanic, electric, magnetic, or photonic stimuli to fulfill specific functions. One of the main challenges in their construction derives from the picometric precision required for their mechanic operation within the close-packed, self-assembled environment of crystalline solids. In this article, we outline some of the general guidelines for their design and apply them for the construction of molecular crystals with units intended to emulate macroscopic gyroscopes and compasses. Recent advances in the preparation, crystallization, and dynamic characterization of these interesting systems offer a foothold to the possibilities and help highlight some avenues for future experimentation. PMID:16046543

Aircraft landing dynamics facility carriage weld test program

NASA Technical Reports Server (NTRS)

Lawson, A. G.

1984-01-01

A welded tubular structure constructed of low alloy high strength quenched and tempered steel was tested. The consistency of the mechanical strengths and chemical composition and the degree of difficulty of obtaining full strength welds with these steels is characterized. The results of constructing and testing two typical connections which are used in the structure design are reported.

A novel biobased plasticizer of epoxidized cardanol glycidylether: Synthesis and application in soft poly(vinyl chloride) films

USDA-ARS?s Scientific Manuscript database

A novel plasticizer derived from cardanol, epoxied cardanol glycidyl ether (ECGE), was synthesized and characterized by 1H-NMR and 13C-NMR. Effects of the ECGE combined with dioctyl phthalate (DOP), a commercial plasticizer, in soft poly(vinyl chloride) (PVC) films were studied. Dynamic mechanical a...

Development and Advanced Analysis of Dynamic and Static Casing Strain Monitoring to Characterize the Orientation and Dimensions of Hydraulic Fractures

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

Bruno, Michael; Ramos, Juan; Lao, Kang

Horizontal wells combined with multi-stage hydraulic fracturing have been applied to significantly increase production from low permeability formations, contributing to expanded total US production of oil and gas. Not all applications are successful, however. Field observations indicate that poorly designed or placed fracture stages in horizontal wells can result in significant well casing deformation and damage. In some instances, early fracture stages have deformed the casing enough so that it is not possible to drill out plugs in order to complete subsequent fracture stages. Improved fracture characterization techniques are required to identify potential problems early in the development of themore » field. Over the past decade, several new technologies have been presented as alternatives to characterize the fracture geometry for unconventional reservoirs. Monitoring dynamic casing strain and deformation during hydraulic fracturing represents one of these new techniques. The objective of this research is to evaluate dynamic and static strains imposed on a well casing by single and multiple stage fractures, and to use that information in combination with numerical inversion techniques to estimate fracture characteristics such as length, orientation and post treatment opening. GeoMechanics Technologies, working in cooperation with the Department of Energy, Small Business Innovation Research through DOE SBIR Grant No: DE-SC-0017746, is conducting a research project to complete an advanced analysis of dynamic and static casing strain monitoring to characterize the orientation and dimensions of hydraulic fractures. This report describes our literature review and technical approach. The following conclusions summarize our review and simulation results to date: A literature review was performed related to the fundamental theoretical and analytical developments of stress and strain imposed by hydraulic fracturing along casing completions and deformation monitoring techniques. Analytical solutions have been developed to understand the mechanisms responsible for casing deformation induced by hydraulic fracturing operations. After reviewing a range of casing deformation techniques, including fiber optic sensors, borehole ultrasonic tools and electromagnetic tools, we can state that challenges in deployment, data acquisition and interpretation must still be overcome to ensure successful application of strain measurement and inversion techniques to characterize hydraulic fractures in the field. Numerical models were developed to analyze induced strain along casing, cement and formation interfaces. The location of the monitoring sensor around the completion, mechanical properties of the cement and its condition in the annular space can impact the strain measurement. Field data from fiber optic sensors were evaluated to compare against numerical models. A reasonable match for the fracture height characterization was obtained. Discrepancies in the strain magnitude between the field data and the numerical model was observed and can be caused by temperature effects, the cement condition in the well and the perturbation at the surface during injection. To avoid damage in the fiber optic cable during the perforation (e.g. when setting up multi stage HF scenarios), oriented perforation technologies are suggested. This issue was evidenced in the analyzed field data, where it was not possible to obtain strain measurement below the top of the perforation. This presented a limitation to characterize the entire fracture geometry. The comparison results from numerical modeling and field data for fracture characterization shows that the proposed methodology should be validated with alternative field demonstration techniques using measurements in an offset observation well to monitor and measure the induced strain. We propose to expand on this research in Phase II with a further study of multi-fracture characterization and field demonstration for horizontal wells.« less

Mechanical, dielectric, and physicochemical properties of impregnating resin based on unsaturated polyesterimides

NASA Astrophysics Data System (ADS)

Fetouhi, Louiza; Petitgas, Benoit; Dantras, Eric; Martinez-Vega, Juan

2017-10-01

This work aims to characterize the dielectric and the mechanical properties of a resin based on an unsaturated polyesterimide diluted in methacrylate reactive diluents used in the impregnation of rotating machines. The broadband dielectric spectrometry and the dynamic mechanical analysis were used to quantify the changes in dielectric and mechanical properties of the network PEI resin, as a function of temperature and frequency. The network characterizations highlight the presence of two main relaxations, α and α', confirmed by the differential scanning calorimetry analysis, showing the complexity of the chemical composition of this resin. The dielectric spectroscopy shows a significant increase in the dielectric values due to an increase of the material conductivity, while the mechanical spectroscopy shows an important decrease of the polymer rigidity and viscosity expressed by an important decrease in the storage modulus. The PEI resin shows a high reactivity when it is submitted in successive heating ramps, which involves in a post-cross-linking reaction. Contribution to the topical issue "Electrical Engineering Symposium (SGE 2016)", edited by Adel Razek

Strain rate sensitivity of autoclaved aerated concrete from quasi-static regime to shock loading

NASA Astrophysics Data System (ADS)

Mespoulet, Jérôme; Plassard, Fabien; Hereil, Pierre Louis

2015-09-01

The quasi-static mechanical behavior of autoclaved aerated concrete is well-known and can be expressed as a function of its density. There are however not much studies dealing with its dynamic behavior and its damping ability when subjected to a mechanical shock or a blast. This study presents experimental results obtained at the Shock Physics Laboratory of THIOT INGENIERIE company. The test specimens are made of YTONG(TM ) cellular concrete with porosity in the range of 75 to 80%. Experimental tests cover a large strain rate amplitude (higher than 104 s-1) for specimens up to 250 mm. They were carried out with a small compression press and with two facilities dedicated to dynamic material characterization: JUPITER dynamic large press (2 MN, 3 ms rising time) and TITAN multi-caliber single-stage gas gun. Results in un-confined conditions show an increase of the compressive strength when strain rate increases (45% increase at 5.102 s-1) but dynamic tests induce damage early in the experiment. This competition between dynamic strength raise and specimen fracture makes the complete compaction curve determination not to be done in unconfined dynamic condition. A 25% increase of the compressive strength has been observed between unconfined and confined condition in Q.S. regime.

The role of shear and tensile failure in dynamically triggered landslides

USGS Publications Warehouse

Gipprich, T.L.; Snieder, R.K.; Jibson, R.W.; Kimman, W.

2008-01-01

Dynamic stresses generated by earthquakes can trigger landslides. Current methods of landslide analysis such as pseudo-static analysis and Newmark's method focus on the effects of earthquake accelerations on the landslide mass to characterize dynamic landslide behaviour. One limitation of these methods is their use Mohr-Coulomb failure criteria, which only accounts for shear failure, but the role of tensile failure is not accounted for. We develop a limit-equilibrium model to investigate the dynamic stresses generated by a given ground motion due to a plane wave and use this model to assess the role of shear and tensile failure in the initiation of slope instability. We do so by incorporating a modified Griffith failure envelope, which combines shear and tensile failure into a single criterion. Tests of dynamic stresses in both homogeneous and layered slopes demonstrate that two modes of failure exist, tensile failure in the uppermost meters of a slope and shear failure at greater depth. Further, we derive equations that express the dynamic stress in the near-surface in the acceleration measured at the surface. These equations are used to approximately define the depth range for each mechanism of failure. The depths at which these failure mechanisms occur suggest that shear and tensile failure might collaborate in generating slope failure. ?? 2007 The Authors Journal compilation ?? 2007 RAS.

Static and Dynamic Moduli of Malm Carbonate: A Poroelastic Correlation

NASA Astrophysics Data System (ADS)

Hassanzadegan, Alireza; Guérizec, Romain; Reinsch, Thomas; Blöcher, Guido; Zimmermann, Günter; Milsch, Harald

2016-08-01

The static and poroelastic moduli of a porous rock, e.g., the drained bulk modulus, can be derived from stress-strain curves in rock mechanical tests, and the dynamic moduli, e.g., dynamic Poisson's ratio, can be determined by acoustic velocity and bulk density measurements. As static and dynamic elastic moduli are different, a correlation is often required to populate geomechanical models. A novel poroelastic approach is introduced to correlate static and dynamic bulk moduli of outcrop analogues samples, representative of Upper-Malm reservoir rock in the Molasse basin, southwestern Germany. Drained and unjacketed poroelastic experiments were performed at two different temperature levels (30 and 60°C). For correlating the static and dynamic elastic moduli, a drained acoustic velocity ratio is introduced, corresponding to the drained Poisson's ratio in poroelasticity. The strength of poroelastic coupling, i.e., the product of Biot and Skempton coefficients here, was the key parameter. The value of this parameter decreased with increasing effective pressure by about 56 ~% from 0.51 at 3 MPa to 0.22 at 73 MPa. In contrast, the maximum change in P- and S-wave velocities was only 3 % in this pressure range. This correlation approach can be used in characterizing underground reservoirs, and can be employed to relate seismicity and geomechanics (seismo-mechanics).

Molecular inspired models for prediction and control of directional FSO/RF wireless networks

NASA Astrophysics Data System (ADS)

Llorca, Jaime; Milner, Stuart D.; Davis, Christopher C.

2010-08-01

Directional wireless networks using FSO and RF transmissions provide wireless backbone support for mobile communications in dynamic environments. The heterogeneous and dynamic nature of such networks challenges their robustness and requires self-organization mechanisms to assure end-to-end broadband connectivity. We developed a framework based on the definition of a potential energy function to characterize robustness in communication networks and the study of first and second order variations of the potential energy to provide prediction and control strategies for network performance optimization. In this paper, we present non-convex molecular potentials such as the Morse Potential, used to describe the potential energy of bonds within molecules, for the characterization of communication links in the presence of physical constraints such as the power available at the network nodes. The inclusion of the Morse Potential translates into adaptive control strategies where forces on network nodes drive the release, retention or reconfiguration of communication links for network performance optimization. Simulation results show the effectiveness of our self-organized control mechanism, where the physical topology reorganizes to maximize the number of source to destination communicating pairs. Molecular Normal Mode Analysis (NMA) techniques for assessing network performance degradation in dynamic networks are also presented. Preliminary results show correlation between peaks in the eigenvalues of the Hessian of the network potential and network degradation.

The NBS: Processing/Microstructure/Property Relationships in 2024 Aluminum Alloy Plates

NASA Technical Reports Server (NTRS)

Ives, L. K.; Swartzendruber, W. J.; Boettinger, W. J.; Rosen, M.; Ridder, S. D.

1983-01-01

As received plates of 2024 aluminum alloy were examined. Topics covered include: solidification segregation studies; microsegregation and macrosegregation in laboratory and commercially cast ingots; C-curves and nondestructive evaluation; time-temperature precipitation diagrams and the relationships between mechanical properties and NDE measurements; transmission electron microscopy studies; the relationship between microstructure and properties; ultrasonic characterization; eddy-current conductivity characterization; the study of aging process by means of dynamic eddy current measurements; and Heat flow-property predictions, property degradations due to improve quench from the solution heat treatment temperature.

Dynamic characterization of viscoelastic polymer solutions in a lubricated cylinder - Plate apparatus

NASA Technical Reports Server (NTRS)

Doremus, P.; Piau, J. M.; Altman, R. L.

1987-01-01

The characterization of several viscoelastic lubricants which are oil or water based has been studied in an apparatus consisting of a lubricated cylinder-plate contact. The friction loads were measured as a function of speed. The experimental results show the influence of the molecular weight and of the concentration of the polymeric additive as well as the influence of the viscosity of the oil-base on the load and friction coefficient. Also a test for mechanical degradation was performed on the polymer solutions. Several additives can favor a viscoelastic lubrication.

Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states

PubMed Central

Marggi Poullain, Sonia; Chicharro, David V.; Zanchet, Alexandre; González, Marta G.; Rubio-Lago, Luis; Senent, María L.; García-Vela, Alberto; Bañares, Luis

2016-01-01

The photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states have been studied using velocity map and slice ion imaging in combination with pump-probe nanosecond laser pulses. The reported translational energy and angular distributions of the H(2S) photofragment detected by (2+1) REMPI highlight different dissociation mechanisms for the 3s and 3pz Rydberg states. A narrow peak in the translational energy distribution and an anisotropic angular distribution characterizes the fast 3s photodissociation, while for the 3pz state Boltzmann-type translational energy and isotropic angular distributions are found. High level ab initio calculations have been performed in order to elucidate the photodissociation mechanisms from the two Rydberg states and to rationalize the experimental results. The calculated potential energy curves highlight a typical predissociation mechanism for the 3s state, characterized by the coupling between the 3s Rydberg state and a valence repulsive state. On the other hand, the photodissociation on the 3pz state is initiated by a predissociation process due to the coupling between the 3pz Rydberg state and a valence repulsive state and constrained, later on, by two conical intersections that allow the system to relax to lower electronic states. Such mechanism opens different reaction pathways leading to CH2 photofragments in different electronic states and inducing a transfer of energy between translational and internal modes. PMID:27296907

Spire and Formin 2 Synergize and Antagonize in Regulating Actin Assembly in Meiosis by a Ping-Pong Mechanism

PubMed Central

Montaville, Pierre; Jégou, Antoine; Pernier, Julien; Compper, Christel; Guichard, Bérengère; Mogessie, Binyam; Schuh, Melina; Romet-Lemonne, Guillaume; Carlier, Marie-France

2014-01-01

In mammalian oocytes, three actin binding proteins, Formin 2 (Fmn2), Spire, and profilin, synergistically organize a dynamic cytoplasmic actin meshwork that mediates translocation of the spindle toward the cortex and is required for successful fertilization. Here we characterize Fmn2 and elucidate the molecular mechanism for this synergy, using bulk solution and individual filament kinetic measurements of actin assembly dynamics. We show that by capping filament barbed ends, Spire recruits Fmn2 and facilitates its association with barbed ends, followed by rapid processive assembly and release of Spire. In the presence of actin, profilin, Spire, and Fmn2, filaments display alternating phases of rapid processive assembly and arrested growth, driven by a “ping-pong” mechanism, in which Spire and Fmn2 alternately kick off each other from the barbed ends. The results are validated by the effects of injection of Spire, Fmn2, and their interacting moieties in mouse oocytes. This original mechanism of regulation of a Rho-GTPase–independent formin, recruited by Spire at Rab11a-positive vesicles, supports a model for modulation of a dynamic actin-vesicle meshwork in the oocyte at the origin of asymmetric positioning of the meiotic spindle. PMID:24586110

Fluctuations of global energy release and crackling in nominally brittle heterogeneous fracture.

PubMed

Barés, J; Hattali, M L; Dalmas, D; Bonamy, D

2014-12-31

The temporal evolution of mechanical energy and spatially averaged crack speed are both monitored in slowly fracturing artificial rocks. Both signals display an irregular burstlike dynamics, with power-law distributed fluctuations spanning a broad range of scales. Yet, the elastic power released at each time step is proportional to the global velocity all along the process, which enables defining a material-constant fracture energy. We characterize the intermittent dynamics by computing the burst statistics. This latter displays the scale-free features signature of crackling dynamics, in qualitative but not quantitative agreement with the depinning interface models derived for fracture problems. The possible sources of discrepancies are pointed out and discussed.

Crystallization dynamics on curved surfaces

NASA Astrophysics Data System (ADS)

García, Nicolás A.; Register, Richard A.; Vega, Daniel A.; Gómez, Leopoldo R.

2013-07-01

We study the evolution from a liquid to a crystal phase in two-dimensional curved space. At early times, while crystal seeds grow preferentially in regions of low curvature, the lattice frustration produced in regions with high curvature is rapidly relaxed through isolated defects. Further relaxation involves a mechanism of crystal growth and defect annihilation where regions with high curvature act as sinks for the diffusion of domain walls. The pinning of grain boundaries at regions of low curvature leads to the formation of a metastable structure of defects, characterized by asymptotically slow dynamics of ordering and activation energies dictated by the largest curvatures of the system. These glassylike ordering dynamics may completely inhibit the appearance of the ground-state structures.

Reactive Molecular Dynamics Simulations to Understand Mechanical Response of Thaumasite under Temperature and Strain Rate Effects.

PubMed

Hajilar, Shahin; Shafei, Behrouz; Cheng, Tao; Jaramillo-Botero, Andres

2017-06-22

Understanding the structural, thermal, and mechanical properties of thaumasite is of great interest to the cement industry, mainly because it is the phase responsible for the aging and deterioration of civil infrastructures made of cementitious materials attacked by external sources of sulfate. Despite the importance, effects of temperature and strain rate on the mechanical response of thaumasite had remained unexplored prior to the current study, in which the mechanical properties of thaumasite are fully characterized using the reactive molecular dynamics (RMD) method. With employing a first-principles based reactive force field, the RMD simulations enable the description of bond dissociation and formation under realistic conditions. From the stress-strain curves of thaumasite generated in the x, y, and z directions, the tensile strength, Young's modulus, and fracture strain are determined for the three orthogonal directions. During the course of each simulation, the chemical bonds undergoing tensile deformations are monitored to reveal the bonds responsible for the mechanical strength of thaumasite. The temperature increase is found to accelerate the bond breaking rate and consequently the degradation of mechanical properties of thaumasite, while the strain rate only leads to a slight enhancement of them for the ranges considered in this study.

The dynamics of temperature and light on the growth of phytoplankton.

PubMed

Chen, Ming; Fan, Meng; Liu, Rui; Wang, Xiaoyu; Yuan, Xing; Zhu, Huaiping

2015-11-21

Motivated by some lab and field observations of the hump shaped effects of water temperature and light on the growth of phytoplankton, a bottom-up nutrient phytoplankton model, which incorporates the combined effects of temperature and light, is proposed and analyzed to explore the dynamics of phytoplankton bloom. The population growth model reasonably captures such observed dynamics qualitatively. An ecological reproductive index is defined to characterize the growth of the phytoplankton which also allows a comprehensive analysis of the role of temperature and light on the growth and reproductive characteristics of phytoplankton in general. The model provides a framework to study the mechanisms of phytoplankton dynamics in shallow lake and may even be employed to study the controlled phytoplankton bloom. Copyright © 2015 Elsevier Ltd. All rights reserved.

Dynamics at a Peptide-TiO2 Anatase (101) Interface.

PubMed

Polimeni, Marco; Petridis, Loukas; Smith, Jeremy C; Arcangeli, Caterina

2017-09-28

The interface between biological matter and inorganic materials is a widely investigated research topic due to possible applications in biomedicine and nanotechnology. In this context, the molecular level adsorption mechanism that drives specific recognition between small peptide sequences and inorganic surfaces represents an important topic likely to provide much information useful for designing bioderived materials. Here, we investigate the dynamics at the interface between a Ti-binding peptide sequence (AMRKLPDAPGMHC) and a TiO 2 anatase surface by using molecular dynamics (MD) simulations. In the simulations the adsorption mechanism is characterized by diffusion of the peptide from the bulk water phase toward the TiO 2 surface, followed by the anchoring of the peptide to the surface. The anchoring is mediated by the interfacial water layers by means of the charged groups of the side chains of the peptide. The peptide samples anchored and dissociated states from the surface and its conformation is not affected by the surface when anchored.

Dynamics at a Peptide–TiO 2 Anatase (101) Interface

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

Polimeni, Marco; Petridis, Loukas; Smith, Jeremy C.

The interface between biological matter and inorganic materials is a widely investigated research topic due to possible applications in biomedicine and nanotechnology. In this context, the molecular level adsorption mechanism that drives specific recognition between small peptide sequences and inorganic surfaces represents an important topic likely to provide much information useful for designing bioderived materials. In this paper, we investigate the dynamics at the interface between a Ti-binding peptide sequence (AMRKLPDAPGMHC) and a TiO 2 anatase surface by using molecular dynamics (MD) simulations. In the simulations the adsorption mechanism is characterized by diffusion of the peptide from the bulk watermore » phase toward the TiO 2 surface, followed by the anchoring of the peptide to the surface. The anchoring is mediated by the interfacial water layers by means of the charged groups of the side chains of the peptide. Finally, the peptide samples anchored and dissociated states from the surface and its conformation is not affected by the surface when anchored.« less

Cyclic trimer of human cystatin C, an amyloidogenic protein - molecular dynamics and experimental studies

NASA Astrophysics Data System (ADS)

Chrabåszczewska, Magdalena; Maszota-Zieleniak, Martyna; Pietralik, Zuzanna; Taube, Michał; Rodziewicz-Motowidło, Sylwia; Szymańska, Aneta; Szutkowski, Kosma; Clemens, Daniel; Grubb, Anders; Kozak, Maciej

2018-05-01

Human cystatin C (HCC) is a cysteine protease inhibitor that takes a series of oligomeric forms in solution (e.g., dimers, trimers, tetramers, decamers, dodecamers, and other higher oligomers). The best-known form of cystatin C is the dimer, which arises as a result of a domain swapping mechanism. The formation of the HCC oligomeric forms, which is most likely due to this domain swapping mechanism, is associated with the aggregation of HCC into amyloid fibrils and deposits. To investigate the structure of a specific HCC oligomer, we developed a covalently stabilized trimer of HCC. An atomic model of this HCC trimer was proposed on the basis of molecular docking and molecular dynamics simulations. The most stable model of the HCC trimer obtained from the molecular dynamics simulations is characterized by a well-preserved secondary structure. The molecular size and structural parameters of the HCC trimer in solution were also confirmed by Small Angle Neutron Scattering and Nuclear Magnetic Resonance Diffusometry.

Dynamics at a Peptide–TiO 2 Anatase (101) Interface

DOE PAGES

Polimeni, Marco; Petridis, Loukas; Smith, Jeremy C.; ...

2017-08-29

The interface between biological matter and inorganic materials is a widely investigated research topic due to possible applications in biomedicine and nanotechnology. In this context, the molecular level adsorption mechanism that drives specific recognition between small peptide sequences and inorganic surfaces represents an important topic likely to provide much information useful for designing bioderived materials. In this paper, we investigate the dynamics at the interface between a Ti-binding peptide sequence (AMRKLPDAPGMHC) and a TiO 2 anatase surface by using molecular dynamics (MD) simulations. In the simulations the adsorption mechanism is characterized by diffusion of the peptide from the bulk watermore » phase toward the TiO 2 surface, followed by the anchoring of the peptide to the surface. The anchoring is mediated by the interfacial water layers by means of the charged groups of the side chains of the peptide. Finally, the peptide samples anchored and dissociated states from the surface and its conformation is not affected by the surface when anchored.« less

Dynamic shear deformation in high purity Fe

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

Cerreta, Ellen K; Bingert, John F; Trujillo, Carl P

2009-01-01

The forced shear test specimen, first developed by Meyer et al. [Meyer L. et al., Critical Adiabatic Shear Strength of Low Alloyed Steel Under Compressive Loading, Metallurgical Applications of Shock Wave and High Strain Rate Phenomena (Marcel Decker, 1986), 657; Hartmann K. et al., Metallurgical Effects on Impact Loaded Materials, Shock Waves and High Strain rate Phenomena in Metals (Plenum, 1981), 325-337.], has been utilized in a number of studies. While the geometry of this specimen does not allow for the microstructure to exactly define the location of shear band formation and the overall mechanical response of a specimen ismore » highly sensitive to the geometry utilized, the forced shear specimen is useful for characterizing the influence of parameters such as strain rate, temperature, strain, and load on the microstructural evolution within a shear band. Additionally, many studies have utilized this geometry to advance the understanding of shear band development. In this study, by varying the geometry, specifically the ratio of the inner hole to the outer hat diameter, the dynamic shear localization response of high purity Fe was examined. Post mortem characterization was performed to quantify the width of the localizations and examine the microstructural and textural evolution of shear deformation in a bcc metal. Increased instability in mechanical response is strongly linked with development of enhanced intergranular misorientations, high angle boundaries, and classical shear textures characterized through orientation distribution functions.« less

Shock Mitigation in Open-Celled TiNi Foams

NASA Astrophysics Data System (ADS)

Jardine, A. Peter

2018-05-01

High-energy shock events generated by impacts are effectively mitigated by Nitinol materials. Initial evidence of this capability was suggested by the dramatically superior cavitation-erosion performance of Nitinol coatings made by plasma spray processes, over steels and brasses. A fast acting hysteretic stress-strain response mechanism was proposed to explain this result, transforming the shock energy into heat. Extending this work to bulk TiNi, dynamic load characterization using Split Rod Hopkinson Bar techniques on solid porous TiNi confirmed that the mechanical response to high strain rates below 4200 s-1 were indeed hysteretic. This paper reports on dynamical load characterization on TiNi foams made by Self-Propagating High-Temperature Synthesis (SHS) using Split Rod Hopkinson Bar and gas-gun impact characterization to compare these foams to alternative materials. This work verified that SHS-derived TiNi foams were indeed hysteretic at strain rates from 180 to 2300 s-1. In addition, Shock Spectrum Analysis demonstrated that TiNi foams were very effective in mitigating the shock spectrum range below 5 kHz, and that increasing porosity increased the amount of shock attenuation in that spectral range. Finally under impact loading, 55% porous TiNi foams were a factor of 7 superior to steel and a factor of 4 better than Al 6061 or Cu in mitigating peak g-loads and this attenuation improved with bilayer structures of 57 and 73% porous TiNi foam article.

Electro-mechanical dynamics of spiral waves in a discrete 2D model of human atrial tissue.

PubMed

Brocklehurst, Paul; Ni, Haibo; Zhang, Henggui; Ye, Jianqiao

2017-01-01

We investigate the effect of mechano-electrical feedback and atrial fibrillation induced electrical remodelling (AFER) of cellular ion channel properties on the dynamics of spiral waves in a discrete 2D model of human atrial tissue. The tissue electro-mechanics are modelled using the discrete element method (DEM). Millions of bonded DEM particles form a network of coupled atrial cells representing 2D cardiac tissue, allowing simulations of the dynamic behaviour of electrical excitation waves and mechanical contraction in the tissue. In the tissue model, each cell is modelled by nine particles, accounting for the features of individual cellular geometry; and discrete inter-cellular spatial arrangement of cells is also considered. The electro-mechanical model of a human atrial single-cell was constructed by strongly coupling the electrophysiological model of Colman et al. to the mechanical myofilament model of Rice et al., with parameters modified based on experimental data. A stretch-activated channel was incorporated into the model to simulate the mechano-electrical feedback. In order to investigate the effect of mechano-electrical feedback on the dynamics of spiral waves, simulations of spiral waves were conducted in both the electromechanical model and the electrical-only model in normal and AFER conditions, to allow direct comparison of the results between the models. Dynamics of spiral waves were characterized by tracing their tip trajectories, stability, excitation frequencies and meandering range of tip trajectories. It was shown that the developed DEM method provides a stable and efficient model of human atrial tissue with considerations of the intrinsically discrete and anisotropic properties of the atrial tissue, which are challenges to handle in traditional continuum mechanics models. This study provides mechanistic insights into the complex behaviours of spiral waves and the genesis of atrial fibrillation by showing an important role of the mechano-electrical feedback in facilitating and promoting atrial fibrillation.

Electro-mechanical dynamics of spiral waves in a discrete 2D model of human atrial tissue

PubMed Central

Zhang, Henggui

2017-01-01

We investigate the effect of mechano-electrical feedback and atrial fibrillation induced electrical remodelling (AFER) of cellular ion channel properties on the dynamics of spiral waves in a discrete 2D model of human atrial tissue. The tissue electro-mechanics are modelled using the discrete element method (DEM). Millions of bonded DEM particles form a network of coupled atrial cells representing 2D cardiac tissue, allowing simulations of the dynamic behaviour of electrical excitation waves and mechanical contraction in the tissue. In the tissue model, each cell is modelled by nine particles, accounting for the features of individual cellular geometry; and discrete inter-cellular spatial arrangement of cells is also considered. The electro-mechanical model of a human atrial single-cell was constructed by strongly coupling the electrophysiological model of Colman et al. to the mechanical myofilament model of Rice et al., with parameters modified based on experimental data. A stretch-activated channel was incorporated into the model to simulate the mechano-electrical feedback. In order to investigate the effect of mechano-electrical feedback on the dynamics of spiral waves, simulations of spiral waves were conducted in both the electromechanical model and the electrical-only model in normal and AFER conditions, to allow direct comparison of the results between the models. Dynamics of spiral waves were characterized by tracing their tip trajectories, stability, excitation frequencies and meandering range of tip trajectories. It was shown that the developed DEM method provides a stable and efficient model of human atrial tissue with considerations of the intrinsically discrete and anisotropic properties of the atrial tissue, which are challenges to handle in traditional continuum mechanics models. This study provides mechanistic insights into the complex behaviours of spiral waves and the genesis of atrial fibrillation by showing an important role of the mechano-electrical feedback in facilitating and promoting atrial fibrillation. PMID:28510575

A novel approach to determine the thermal transition of gum powder/hydro-gels using dynamic mechanical analysis

NASA Astrophysics Data System (ADS)

Nagamadhu, M.; Jeyaraj, P.; Kumar, G. C. Mohan

2018-04-01

The dynamic characterization of materials plays a major role in the present area. The many researchers are worked on solid materials and its characterization, it can be tested using dynamic mechanical analyzer (DMA), however, no such work on powder a semiliquid samples. The powder and liquid samples can also easily characterization as like solid samples using DMA. These powder samples are analyzed with a material pocket method which can be used to accurately determine very low levels of variation in powder properties, due to the high sensitivity of DMA to glass transitions. No such DMA studies on hydrogel and Gum powders. The gum powders are used in various applications start from food industries, pharmacy, natural gums paste, biomedical applications etc. among all this applications gum Ghatti is one of the powders using for varies applications. Around 50 milligrams of Ghatti powders are placed inside material pocket and analyzed storage modulus (G'), loss modulus (G″) and tan delta (δ). Also, understand the curing and glass transition effect using water, glycerin and superplastic from room temperature to 200°C. The result shows that storage modulus decreases with increase in temperature in pure Ghatti powder. The surprising improvement in storage modulus was found with an increase in temperature with addition of water, glycerin, and superplastic. However, loss modulus and tan delta are also having very significant influence and also shows a clear peak of the tan delta. The loss modulus results were found to be improved by adding solidifying agents, along with this water and superplastic better influence. But glycerine found to be hydrogel in nature and thermodynamic properties are much influenced by frequency.

Topological Principles of Control in Dynamical Networks

NASA Astrophysics Data System (ADS)

Kim, Jason; Pasqualetti, Fabio; Bassett, Danielle

Networked biological systems, such as the brain, feature complex patterns of interactions. To predict and correct the dynamic behavior of such systems, it is imperative to understand how the underlying topological structure affects and limits the function of the system. Here, we use network control theory to extract topological features that favor or prevent network controllability, and to understand the network-wide effect of external stimuli on large-scale brain systems. Specifically, we treat each brain region as a dynamic entity with real-valued state, and model the time evolution of all interconnected regions using linear, time-invariant dynamics. We propose a simplified feed-forward scheme where the effect of upstream regions (drivers) on the connected downstream regions (non-drivers) is characterized in closed-form. Leveraging this characterization of the simplified model, we derive topological features that predict the controllability properties of non-simplified networks. We show analytically and numerically that these predictors are accurate across a large range of parameters. Among other contributions, our analysis shows that heterogeneity in the network weights facilitate controllability, and allows us to implement targeted interventions that profoundly improve controllability. By assuming an underlying dynamical mechanism, we are able to understand the complex topology of networked biological systems in a functionally meaningful way.

Protection of cortex by overlying meninges tissue during dynamic indentation of the adolescent brain.

PubMed

MacManus, David B; Pierrat, Baptiste; Murphy, Jeremiah G; Gilchrist, Michael D

2017-07-15

Traumatic brain injury (TBI) has become a recent focus of biomedical research with a growing international effort targeting material characterization of brain tissue and simulations of trauma using computer models of the head and brain to try to elucidate the mechanisms and pathogenesis of TBI. The meninges, a collagenous protective tri-layer, which encloses the entire brain and spinal cord has been largely overlooked in these material characterization studies. This has resulted in a lack of accurate constitutive data for the cranial meninges, particularly under dynamic conditions such as those experienced during head impacts. The work presented here addresses this lack of data by providing for the first time, in situ large deformation material properties of the porcine dura-arachnoid mater composite under dynamic indentation. It is demonstrated that this tissue is substantially stiffer (shear modulus, μ=19.10±8.55kPa) and relaxes at a slower rate (τ 1 =0.034±0.008s, τ 2 =0.336±0.077s) than the underlying brain tissue (μ=6.97±2.26kPa, τ 1 =0.021±0.007s, τ 2 =0.199±0.036s), reducing the magnitudes of stress by 250% and 65% for strains that arise during indentation-type deformations in adolescent brains. We present the first mechanical analysis of the protective capacity of the cranial meninges using in situ micro-indentation techniques. Force-relaxation tests are performed on in situ meninges and cortex tissue, under large strain dynamic micro-indentation. A quasi-linear viscoelastic model is used subsequently, providing time-dependent mechanical properties of these neural tissues under loading conditions comparable to what is experienced in TBI. The reported data highlights the large differences in mechanical properties between these two tissues. Finite element simulations of the indentation experiments are also performed to investigate the protective capacity of the meninges. These simulations show that the meninges protect the underlying brain tissue by reducing the overall magnitude of stress by 250% and up to 65% for strains. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

From cognitive networks to seizures: Stimulus evoked dynamics in a coupled cortical network

NASA Astrophysics Data System (ADS)

Lee, Jaejin; Ermentrout, Bard; Bodner, Mark

2013-12-01

Epilepsy is one of the most common neuropathologies worldwide. Seizures arising in epilepsy or in seizure disorders are characterized generally by uncontrolled spread of excitation and electrical activity to a limited region or even over the entire cortex. While it is generally accepted that abnormal excessive firing and synchronization of neuron populations lead to seizures, little is known about the precise mechanisms underlying human epileptic seizures, the mechanisms of transitions from normal to paroxysmal activity, or about how seizures spread. Further complication arises in that seizures do not occur with a single type of dynamics but as many different phenotypes and genotypes with a range of patterns, synchronous oscillations, and time courses. The concept of preventing, terminating, or modulating seizures and/or paroxysmal activity through stimulation of brain has also received considerable attention. The ability of such stimulation to prevent or modulate such pathological activity may depend on identifiable parameters. In this work, firing rate networks with inhibitory and excitatory populations were modeled. Network parameters were chosen to model normal working memory behaviors. Two different models of cognitive activity were developed. The first model consists of a single network corresponding to a local area of the brain. The second incorporates two networks connected through sparser recurrent excitatory connectivity with transmission delays ranging from approximately 3 ms within local populations to 15 ms between populations residing in different cortical areas. The effect of excitatory stimulation to activate working memory behavior through selective persistent activation of populations is examined in the models, and the conditions and transition mechanisms through which that selective activation breaks down producing spreading paroxysmal activity and seizure states are characterized. Specifically, we determine critical parameters and architectural changes that produce the different seizure dynamics in the networks. This provides possible mechanisms for seizure generation. Because seizures arise as attractors in a multi-state system, the system may possibly be returned to its baseline state through some particular stimulation. The ability of stimulation to terminate seizure dynamics in the local and distributed models is studied. We systematically examine when this may occur and the form of the stimulation necessary for the range of seizure dynamics. In both the local and distributed network models, termination is possible for all seizure types observed by stimulation possessing some particular configuration of spatial and temporal characteristics.

Quantitative Live Imaging of Human Embryonic Stem Cell Derived Neural Rosettes Reveals Structure-Function Dynamics Coupled to Cortical Development.

PubMed

Ziv, Omer; Zaritsky, Assaf; Yaffe, Yakey; Mutukula, Naresh; Edri, Reuven; Elkabetz, Yechiel

2015-10-01

Neural stem cells (NSCs) are progenitor cells for brain development, where cellular spatial composition (cytoarchitecture) and dynamics are hypothesized to be linked to critical NSC capabilities. However, understanding cytoarchitectural dynamics of this process has been limited by the difficulty to quantitatively image brain development in vivo. Here, we study NSC dynamics within Neural Rosettes--highly organized multicellular structures derived from human pluripotent stem cells. Neural rosettes contain NSCs with strong epithelial polarity and are expected to perform apical-basal interkinetic nuclear migration (INM)--a hallmark of cortical radial glial cell development. We developed a quantitative live imaging framework to characterize INM dynamics within rosettes. We first show that the tendency of cells to follow the INM orientation--a phenomenon we referred to as radial organization, is associated with rosette size, presumably via mechanical constraints of the confining structure. Second, early forming rosettes, which are abundant with founder NSCs and correspond to the early proliferative developing cortex, show fast motions and enhanced radial organization. In contrast, later derived rosettes, which are characterized by reduced NSC capacity and elevated numbers of differentiated neurons, and thus correspond to neurogenesis mode in the developing cortex, exhibit slower motions and decreased radial organization. Third, later derived rosettes are characterized by temporal instability in INM measures, in agreement with progressive loss in rosette integrity at later developmental stages. Finally, molecular perturbations of INM by inhibition of actin or non-muscle myosin-II (NMII) reduced INM measures. Our framework enables quantification of cytoarchitecture NSC dynamics and may have implications in functional molecular studies, drug screening, and iPS cell-based platforms for disease modeling.

A bifractal nature of reticular patterns induced by oxygen plasma on polymer films

NASA Astrophysics Data System (ADS)

Bae, Junwan; Lee, I. J.

2015-05-01

Plasma etching was demonstrated to be a promising tool for generating self-organized nano-patterns on various commercial films. Unfortunately, dynamic scaling approach toward fundamental understanding of the formation and growth of the plasma-induced nano-structure has not always been straightforward. The temporal evolution of self-aligned nano-patterns may often evolve with an additional scale-invariance, which leads to breakdown of the well-established dynamic scaling law. The concept of a bifractal interface is successfully applied to reticular patterns induced by oxygen plasma on the surface of polymer films. The reticular pattern, composed of nano-size self-aligned protuberances and underlying structure, develops two types of anomalous dynamic scaling characterized by super-roughening and intrinsic anomalous scaling, respectively. The diffusion and aggregation of short-cleaved chains under the plasma environment are responsible for the regular distribution of the nano-size protuberances. Remarkably, it is uncovered that the dynamic roughening of the underlying structure is governed by a relaxation mechanism described by the Edwards-Wilkinson universality class with a conservative noise. The evidence for the basic phase, characterized by the negative roughness and growth exponents, has been elusive since its first theoretical consideration more than two decades ago.

Noise, chaos, and (ɛ, τ)-entropy per unit time

NASA Astrophysics Data System (ADS)

Gaspard, Pierre; Wang, Xiao-Jing

1993-12-01

The degree of dynamical randomness of different time processes is characterized in terms of the (ε, τ)-entropy per unit time. The (ε, τ)-entropy is the amount of information generated per unit time, at different scales τ of time and ε of the observables. This quantity generalizes the Kolmogorov-Sinai entropy per unit time from deterministic chaotic processes, to stochastic processes such as fluctuations in mesoscopic physico-chemical phenomena or strong turbulence in macroscopic spacetime dynamics. The random processes that are characterized include chaotic systems, Bernoulli and Markov chains, Poisson and birth-and-death processes, Ornstein-Uhlenbeck and Yaglom noises, fractional Brownian motions, different regimes of hydrodynamical turbulence, and the Lorentz-Boltzmann process of nonequilibrium statistical mechanics. We also extend the (ε, τ)-entropy to spacetime processes like cellular automata, Conway's game of life, lattice gas automata, coupled maps, spacetime chaos in partial differential equations, as well as the ideal, the Lorentz, and the hard sphere gases. Through these examples it is demonstrated that the (ε, τ)-entropy provides a unified quantitative measure of dynamical randomness to both chaos and noises, and a method to detect transitions between dynamical states of different degrees of randomness as a parameter of the system is varied.

Structural and Dynamical Patterns on Online Social Networks: The Spanish May 15th Movement as a Case Study

PubMed Central

Borge-Holthoefer, Javier; Rivero, Alejandro; García, Iñigo; Cauhé, Elisa; Ferrer, Alfredo; Ferrer, Darío; Francos, David; Iñiguez, David; Pérez, María Pilar; Ruiz, Gonzalo; Sanz, Francisco; Serrano, Fermín; Viñas, Cristina; Tarancón, Alfonso; Moreno, Yamir

2011-01-01

The number of people using online social networks in their everyday life is continuously growing at a pace never saw before. This new kind of communication has an enormous impact on opinions, cultural trends, information spreading and even in the commercial success of new products. More importantly, social online networks have revealed as a fundamental organizing mechanism in recent country-wide social movements. In this paper, we provide a quantitative analysis of the structural and dynamical patterns emerging from the activity of an online social network around the ongoing May 15th (15M) movement in Spain. Our network is made up by users that exchanged tweets in a time period of one month, which includes the birth and stabilization of the 15M movement. We characterize in depth the growth of such dynamical network and find that it is scale-free with communities at the mesoscale. We also find that its dynamics exhibits typical features of critical systems such as robustness and power-law distributions for several quantities. Remarkably, we report that the patterns characterizing the spreading dynamics are asymmetric, giving rise to a clear distinction between information sources and sinks. Our study represents a first step towards the use of data from online social media to comprehend modern societal dynamics. PMID:21886834

The brain as a dynamic physical system.

PubMed

McKenna, T M; McMullen, T A; Shlesinger, M F

1994-06-01

The brain is a dynamic system that is non-linear at multiple levels of analysis. Characterization of its non-linear dynamics is fundamental to our understanding of brain function. Identifying families of attractors in phase space analysis, an approach which has proven valuable in describing non-linear mechanical and electrical systems, can prove valuable in describing a range of behaviors and associated neural activity including sensory and motor repertoires. Additionally, transitions between attractors may serve as useful descriptors for analysing state changes in neurons and neural ensembles. Recent observations of synchronous neural activity, and the emerging capability to record the spatiotemporal dynamics of neural activity by voltage-sensitive dyes and electrode arrays, provide opportunities for observing the population dynamics of neural ensembles within a dynamic systems context. New developments in the experimental physics of complex systems, such as the control of chaotic systems, selection of attractors, attractor switching and transient states, can be a source of powerful new analytical tools and insights into the dynamics of neural systems.

Unsteady flowfield in an integrated rocket ramjet engine and combustion dynamics of a gas turbine swirl-stabilized injector

NASA Astrophysics Data System (ADS)

Sung, Hong-Gye

This research focuses on the time-accurate simulation and analysis of the unsteady flowfield in an integrated rocket-ramjet engine (IRR) and combustion dynamics of a swirl-stabilized gas turbine engine. The primary objectives are: (1) to establish a unified computational framework for studying unsteady flow and flame dynamics in ramjet propulsion systems and gas turbine combustion chambers, and (2) to investigate the parameters and mechanisms responsible for driving flow oscillations. The first part of the thesis deals with a complete axi-symmetric IRR engine. The domain of concern includes a supersonic inlet diffuser, a combustion chamber, and an exhaust nozzle. This study focused on the physical mechanism of the interaction between the oscillatory terminal shock in the inlet diffuser and the flame in the combustion chamber. In addition, the flow and ignition transitions from the booster to the sustainer phase were analyzed comprehensively. Even though the coupling between the inlet dynamics and the unsteady motions of flame shows that they are closely correlated, fortunately, those couplings are out of phase with a phase lag of 90 degrees, which compensates for the amplification of the pressure fluctuation in the inlet. The second part of the thesis treats the combustion dynamics of a lean-premixed gas turbine swirl injector. A three-dimensional computation method utilizing the message passing interface (MPI) Parallel architecture and large-eddy-simulation technique was applied. Vortex breakdown in the swirling flow is clearly visualized and explained on theoretical bases. The unsteady turbulent flame dynamics are carefully simulated so that the flow motion can be characterized in detail. It was observed that some fuel lumps escape from the primary combustion zone, and move downstream and consequently produce hot spots and large vortical structures in the azimuthal direction. The correlation between pressure oscillation and unsteady heat release is examined by both the spatial and temporal Rayleigh parameters. In addition, basis modes of the unsteady turbulent flame are characterized using proper orthogonal decomposition (POD) analysis.

Processing and Characterization of Cellulose Nanocrystals/Polylactic Acid Nanocomposite Films

PubMed Central

Sullivan, Erin M.; Moon, Robert J.; Kalaitzidou, Kyriaki

2015-01-01

The focus of this study is to examine the effect of cellulose nanocrystals (CNC) on the properties of polylactic acid (PLA) films. The films are fabricated via melt compounding and melt fiber spinning followed by compression molding. Film fracture morphology, thermal properties, crystallization behavior, thermo-mechanical behavior, and mechanical behavior were determined as a function of CNC content using scanning electron microscopy, differential scanning calorimetry, X-ray diffraction, dynamic mechanical analysis, and tensile testing. Film crystallinity increases with increasing CNC content indicating CNC act as nucleating agents, promoting crystallization. Furthermore, the addition of CNC increased the film storage modulus and slightly broadened the glass transition region. PMID:28793701

Responses of bistable piezoelectric-composite energy harvester by means of recurrences

NASA Astrophysics Data System (ADS)

Syta, Arkadiusz; Bowen, Christopher R.; Kim, H. Alicia; Rysak, Andrzej; Litak, Grzegorz

2016-08-01

In this paper we examine the modal response of a bistable electro-mechanical energy harvesting device based on characterization of the experimental time-series. A piezoelectric element attached to a vibrating bistable carbon-fibre reinforced polymer laminate plate was used for the conversion of mechanical vibrations to electrical energy under harmonic excitations at a variety of frequencies and amplitudes. The inherent bistability of the mechanical resonator and snap-through phenomenon between stable states were exploited for energy harvesting. To identify the dynamics of the response of the studied harvesting structure and the associated output power generation we used the Fourier spectrum and Recurrence Quantification Analysis (RQA).

Concepts and techniques for ultrasonic evaluation of material mechanical properties

NASA Technical Reports Server (NTRS)

Vary, A.

1980-01-01

Ultrasonic methods that can be used for material strength are reviewed. Emergency technology involving advanced ultrasonic techniques and associated measurements is described. It is shown that ultrasonic NDE is particularly useful in this area because it involves mechanical elastic waves that are strongly modulated by morphological factors that govern mechanical strength and also dynamic failure modes. These aspects of ultrasonic NDE are described in conjunction with advanced approaches and theoretical concepts for signal acquisition and analysis for materials characterization. It is emphasized that the technology is in its infancy and that much effort is still required before the techniques and concepts can be transferred from laboratory to field conditions.

Kinetics and mechanics of clot contraction are governed by the molecular and cellular composition of the blood.

PubMed

Tutwiler, Valerie; Litvinov, Rustem I; Lozhkin, Andrey P; Peshkova, Alina D; Lebedeva, Tatiana; Ataullakhanov, Fazoil I; Spiller, Kara L; Cines, Douglas B; Weisel, John W

2016-01-07

Platelet-driven blood clot contraction (retraction) is thought to promote wound closure and secure hemostasis while preventing vascular occlusion. Notwithstanding its importance, clot contraction remains a poorly understood process, partially because of the lack of methodology to quantify its dynamics and requirements. We used a novel automated optical analyzer to continuously track in vitro changes in the size of contracting clots in whole blood and in variously reconstituted samples. Kinetics of contraction was complemented with dynamic rheometry to characterize the viscoelasticity of contracting clots. This combined approach enabled investigation of the coordinated mechanistic impact of platelets, including nonmuscle myosin II, red blood cells (RBCs), fibrin(ogen), factor XIIIa (FXIIIa), and thrombin on the kinetics and mechanics of the contraction process. Clot contraction is composed of 3 sequential phases, each characterized by a distinct rate constant. Thrombin, Ca(2+), the integrin αIIbβ3, myosin IIa, FXIIIa cross-linking, and platelet count all promote 1 or more phases of the clot contraction process. In contrast, RBCs impair contraction and reduce elasticity, while increasing the overall contractile stress generated by the platelet-fibrin meshwork. A better understanding of the mechanisms by which blood cells, fibrin(ogen), and platelet-fibrin interactions modulate clot contraction may generate novel approaches to reveal and to manage thrombosis and hemostatic disorders. © 2016 by The American Society of Hematology.

Kinetics and mechanics of clot contraction are governed by the molecular and cellular composition of the blood

PubMed Central

Tutwiler, Valerie; Litvinov, Rustem I.; Lozhkin, Andrey P.; Peshkova, Alina D.; Lebedeva, Tatiana; Ataullakhanov, Fazoil I.; Spiller, Kara L.; Cines, Douglas B.

2016-01-01

Platelet-driven blood clot contraction (retraction) is thought to promote wound closure and secure hemostasis while preventing vascular occlusion. Notwithstanding its importance, clot contraction remains a poorly understood process, partially because of the lack of methodology to quantify its dynamics and requirements. We used a novel automated optical analyzer to continuously track in vitro changes in the size of contracting clots in whole blood and in variously reconstituted samples. Kinetics of contraction was complemented with dynamic rheometry to characterize the viscoelasticity of contracting clots. This combined approach enabled investigation of the coordinated mechanistic impact of platelets, including nonmuscle myosin II, red blood cells (RBCs), fibrin(ogen), factor XIIIa (FXIIIa), and thrombin on the kinetics and mechanics of the contraction process. Clot contraction is composed of 3 sequential phases, each characterized by a distinct rate constant. Thrombin, Ca2+, the integrin αIIbβ3, myosin IIa, FXIIIa cross-linking, and platelet count all promote 1 or more phases of the clot contraction process. In contrast, RBCs impair contraction and reduce elasticity, while increasing the overall contractile stress generated by the platelet-fibrin meshwork. A better understanding of the mechanisms by which blood cells, fibrin(ogen), and platelet-fibrin interactions modulate clot contraction may generate novel approaches to reveal and to manage thrombosis and hemostatic disorders. PMID:26603837

High-strain rate tensile characterization of graphite platelet reinforced vinyl ester based nanocomposites using split-Hopkinson pressure bar

NASA Astrophysics Data System (ADS)

Pramanik, Brahmananda

The dynamic response of exfoliated graphite nanoplatelet (xGnP) reinforced and carboxyl terminated butadiene nitrile (CTBN) toughened vinyl ester based nanocomposites are characterized under both dynamic tensile and compressive loading. Dynamic direct tensile tests are performed applying the reverse impact Split Hopkinson Pressure Bar (SHPB) technique. The specimen geometry for tensile test is parametrically optimized by Finite Element Analysis (FEA) using ANSYS Mechanical APDLRTM. Uniform stress distribution within the specimen gage length has been verified using high-speed digital photography. The on-specimen strain gage installation is substituted by a non-contact Laser Occlusion Expansion Gage (LOEG) technique for infinitesimal dynamic tensile strain measurements. Due to very low transmitted pulse signal, an alternative approach based on incident pulse is applied for obtaining the stress-time history. Indirect tensile tests are also performed combining the conventional SHPB technique with Brazilian disk test method for evaluating cylindrical disk specimens. The cylindrical disk specimen is held snugly in between two concave end fixtures attached to the incident and transmission bars. Indirect tensile stress is estimated from the SHPB pulses, and diametrical transverse tensile strain is measured using LOEG. Failure diagnosis using high-speed digital photography validates the viability of utilizing this indirect test method for characterizing the tensile properties of the candidate vinyl ester based nanocomposite system. Also, quasi-static indirect tensile response agrees with previous investigations conducted using the traditional dog-bone specimen in quasi-static direct tensile tests. Investigation of both quasi-static and dynamic indirect tensile test responses show the strain rate effect on the tensile strength and energy absorbing capacity of the candidate materials. Finally, the conventional compressive SHPB tests are performed. It is observed that both strength and energy absorbing capacity of these candidate material systems are distinctively less under dynamic tension than under compressive loading. Nano-reinforcement appears to marginally improve these properties for pure vinyl ester under dynamic tension, although it is found to be detrimental under dynamic compression.

Quantitative ultrasonic evaluation of engineering properties in metals, composites and ceramics

NASA Technical Reports Server (NTRS)

Vary, A.

1980-01-01

Ultrasonic technology from the perspective of nondestructive evaluation approaches to material strength prediction and property verification is reviewed. Emergent advanced technology involving quantitative ultrasonic techniques for materials characterization is described. Ultrasonic methods are particularly useful in this area because they involve mechanical elastic waves that are strongly modulated by the same morphological factors that govern mechanical strength and dynamic failure processes. It is emphasized that the technology is in its infancy and that much effort is still required before all the available techniques can be transferred from laboratory to industrial environments.

Structure and Dynamics of Dinucleosomes Assessed by Atomic Force Microscopy

DOE PAGES

Filenko, Nina A.; Palets, Dmytro B.; Lyubchenko, Yuri L.

2012-01-01

Dynamics of nucleosomes and their interactions are important for understanding the mechanism of chromatin assembly. Internucleosomal interaction is required for the formation of higher-order chromatin structures. Although H1 histone is critically involved in the process of chromatin assembly, direct internucleosomal interactions contribute to this process as well. To characterize the interactions of nucleosomes within the nucleosome array, we designed a dinucleosome and performed direct AFM imaging. The analysis of the AFM data showed dinucleosomes are very dynamic systems, enabling the nucleosomes to move in a broad range along the DNA template. Di-nucleosomes in close proximity were observed, but their populationmore » was low. The use of the zwitterionic detergent, CHAPS, increased the dynamic range of the di-nucleosome, facilitating the formation of tight di-nucleosomes. The role of CHAPS and similar natural products in chromatin structure and dynamics is also discussed.« less

Robotic joint experiments under ultravacuum

NASA Technical Reports Server (NTRS)

Borrien, A.; Petitjean, L.

1988-01-01

First, various aspects of a robotic joint development program, including gearbox technology, electromechanical components, lubrication, and test results, are discussed. Secondly, a test prototype of the joint allowing simulation of robotic arm dynamic effects is presented. This prototype is tested under vacuum with different types of motors and sensors to characterize the functional parameters: angular position error, mechanical backlash, gearbox efficiency, and lifetime.

Symposium II: Mechanochemistry in Materials Science, MRS Fall Meeting, Nov 30-Dec 4, 2009, Boston, MA

DTIC Science & Technology

2010-09-02

Dynamic Mechanical Analysis (DMA). The fracture behavior of the mechanophore-linked polymer is also examined through the Double Cleavage Drilled ...multinary complex structures. Structural, microstructural, and chemical characterizations were explored by metrological tools to support this...simple hydrocarbons in order to quantitatively define structure-property relationships for reacting materials under shock compression. Embedded gauge

Dynamic Mechanical Analysis (DMA) to Help Characterize Vespel SP-211 Polyimide Material for Use as a 750 F Valve Seal on the Ares I Upper Stage J-2X Engine

NASA Technical Reports Server (NTRS)

Wingard, Doug

2013-01-01

DuPont (TM) Vespel (R) SP-211 polyimide was selected as the top candidate seal material for use in the Oxidizer Turbine Bypass Valve (OTBV) on NASA's Ares I Upper Stage J-2X engine. In the OTBV, the seal material would get exposed to temperatures up to 750degF for approx 10 minutes at a time. Although the J-2X engine is not reusable, the valve material could be exposed to multiple temperature cycles up to 750 F during engine operation. The Constellation Program that included the Ares I rocket was eventually cancelled, but the J-2X engine was chosen for continued use for development of NASA's Space Launch System (SLS). The SLS is a heavy-lift launch vehicle that will have capability of taking astronauts and hardware to the Moon, Mars and asteroids. Dynamic mechanical analysis (DMA) was one of several test techniques used to characterize Vespel SP-211 to help prove its worthiness for use on the OTBV of the J-2X engine.

Dynamic Mechanical Analysis (DMA) to Help Characterize Vespel SP-211 Polyimide Material for Use as a 750 F Valve Seal on the Ares I Upper Stage J-2X Engine

NASA Technical Reports Server (NTRS)

Wingard, Doug

2013-01-01

DuPont(tm) Vespel(R) SP-211 polyimide was selected as the top candidate seal material for use in the Oxidizer Turbine Bypass Valve (OTBV) on NASA's Ares I Upper Stage J-2X engine. In the OTBV, the seal material would get exposed to temperatures up to 750degF for approx 10 minutes at a time. Although the J-2X engine is not reusable, the valve material could be exposed to multiple temperature cycles up to 750degF during engine operation. The Constellation Program that included the Ares I rocket was eventually cancelled, but the J-2X engine was chosen for continued use for development of NASA's Space Launch System (SLS). The SLS is a heavy-lift launch vehicle that will have capability of taking astronauts and hardware to the Moon, Mars and asteroids. Dynamic mechanical analysis (DMA) was one of several test techniques used to characterize Vespel SP-211 to help prove its worthiness for use on the OTBV of the J-2X engine.

How Accurate Are Transition States from Simulations of Enzymatic Reactions?

PubMed Central

2015-01-01

The rate expression of traditional transition state theory (TST) assumes no recrossing of the transition state (TS) and thermal quasi-equilibrium between the ground state and the TS. Currently, it is not well understood to what extent these assumptions influence the nature of the activated complex obtained in traditional TST-based simulations of processes in the condensed phase in general and in enzymes in particular. Here we scrutinize these assumptions by characterizing the TSs for hydride transfer catalyzed by the enzyme Escherichia coli dihydrofolate reductase obtained using various simulation approaches. Specifically, we compare the TSs obtained with common TST-based methods and a dynamics-based method. Using a recently developed accurate hybrid quantum mechanics/molecular mechanics potential, we find that the TST-based and dynamics-based methods give considerably different TS ensembles. This discrepancy, which could be due equilibrium solvation effects and the nature of the reaction coordinate employed and its motion, raises major questions about how to interpret the TSs determined by common simulation methods. We conclude that further investigation is needed to characterize the impact of various TST assumptions on the TS phase-space ensemble and on the reaction kinetics. PMID:24860275

Synaptic augmentation in a cortical circuit model reproduces serial dependence in visual working memory

PubMed Central

D’Esposito, Mark

2017-01-01

Recent work has established that visual working memory is subject to serial dependence: current information in memory blends with that from the recent past as a function of their similarity. This tuned temporal smoothing likely promotes the stability of memory in the face of noise and occlusion. Serial dependence accumulates over several seconds in memory and deteriorates with increased separation between trials. While this phenomenon has been extensively characterized in behavior, its neural mechanism is unknown. In the present study, we investigate the circuit-level origins of serial dependence in a biophysical model of cortex. We explore two distinct kinds of mechanisms: stable persistent activity during the memory delay period and dynamic “activity-silent” synaptic plasticity. We find that networks endowed with both strong reverberation to support persistent activity and dynamic synapses can closely reproduce behavioral serial dependence. Specifically, elevated activity drives synaptic augmentation, which biases activity on the subsequent trial, giving rise to a spatiotemporally tuned shift in the population response. Our hybrid neural model is a theoretical advance beyond abstract mathematical characterizations, offers testable hypotheses for physiological research, and demonstrates the power of biological insights to provide a quantitative explanation of human behavior. PMID:29244810

Ca2+-associated triphasic pH changes in mitochondria during brown adipocyte activation.

PubMed

Hou, Yanyan; Kitaguchi, Tetsuya; Kriszt, Rókus; Tseng, Yu-Hua; Raghunath, Michael; Suzuki, Madoka

2017-08-01

Brown adipocytes (BAs) are endowed with a high metabolic capacity for energy expenditure due to their high mitochondria content. While mitochondrial pH is dynamically regulated in response to stimulation and, in return, affects various metabolic processes, how mitochondrial pH is regulated during adrenergic stimulation-induced thermogenesis is unknown. We aimed to reveal the spatial and temporal dynamics of mitochondrial pH in stimulated BAs and the mechanisms behind the dynamic pH changes. A mitochondrial targeted pH-sensitive protein, mito-pHluorin, was constructed and transfected to BAs. Transfected BAs were stimulated by an adrenergic agonist, isoproterenol. The pH changes in mitochondria were characterized by dual-color imaging with indicators that monitor mitochondrial membrane potential and heat production. The mechanisms of pH changes were studied by examining the involvement of electron transport chain (ETC) activity and Ca 2+ profiles in mitochondria and the intracellular Ca 2+ store, the endoplasmic reticulum (ER). A triphasic mitochondrial pH change in BAs upon adrenergic stimulation was revealed. In comparison to a thermosensitive dye, we reveal that phases 1 and 2 of the pH increase precede thermogenesis, while phase 3, characterized by a pH decrease, occurs during thermogenesis. The mechanism of pH increase is partially related to ETC. In addition, the pH increase occurs concurrently with an increase in mitochondrial Ca 2+ . This Ca 2+ increase is contributed to by an influx from the ER, and it is further involved in mitochondrial pH regulation. We demonstrate that an increase in mitochondrial pH is implicated as an early event in adrenergically stimulated BAs. We further suggest that this pH increase may play a role in the potentiation of thermogenesis.

In situ dynamic TEM characterization of unsteady crystallization during laser processing of amorphous germanium

DOE PAGES

Egan, Garth C.; Li, Tian T.; Roehling, John D.; ...

2017-10-03

The unsteady propagation mechanism for the crystallization of amorphous germanium (a-Ge) was studied with in situ movie-mode dynamic transmission electron microscopy (MM-DTEM). We used short laser pulses to heat sputter-deposited a-Ge films and the resulting crystallization process was imaged with up to 16 sequential 50 ns long electron pulses separated by a controlled delay that was varied between 0.5 and 5 μs. The unsteady crystallization in the radial, net-growth direction was observed to occur at a decreasing rate of ~1.5–0.2 m/s through a mechanism involving the formation of discrete ~1.1 μm wide bands that grew with velocities of 9–12 m/smore » perpendicular to the radial direction and along the perimeter of the crystallized area. The crystallization rate and resulting microstructure were consistent with a liquid-mediated growth mechanism, which suggests that locally the band front reaches the amorphous melting temperature of Ge. Furthermore, a mechanism based on the notion of a critical temperature is proposed to explain the unsteady, banded behavior.« less

The linear and non-linear characterization of dust ion acoustic mode in complex plasma in presence of dynamical charging of dust

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

Bhattacharjee, Saurav, E-mail: sauravtsk.bhattacharjee@gmail.com; Das, Nilakshi

2015-10-15

A systematic theoretical investigation has been carried out on the role of dust charging dynamics on the nature and stability of DIA (Dust Ion Acoustic) mode in complex plasma. The study has been made for both linear and non-linear scale regime of DIA mode. The observed results have been characterized in terms of background plasma responses towards dust surface responsible for dust charge fluctuation, invoking important dusty plasma parameters, especially the ion flow speed and dust size. The linear analyses confirm the nature of instability in DIA mode in presence of dust charge fluctuation. The instability shows a damping ofmore » DIA mode in subsonic flow regime followed by a gradual growth in instability in supersonic limit of ion flow. The strength of non-linearity and their existence domain is found to be driven by different dusty plasma parameters. As dust is ubiquitous in interstellar medium with plasma background, the study also addresses the possible effect of dust charging dynamics in gravito-electrostatic characterization and the stability of dust molecular clouds especially in proto-planetary disc. The observations are influential and interesting towards the understanding of dust settling mechanism and formation of dust environments in different regions in space.« less

Crack stability in a representative piping system under combined inertial and seismic/dynamic displacement-controlled stresses. Subtask 1.3 final report

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

Scott, P.; Olson, R.; Wilkowski, O.G.

1997-06-01

This report presents the results from Subtask 1.3 of the International Piping Integrity Research Group (IPIRG) program. The objective of Subtask 1.3 is to develop data to assess analysis methodologies for characterizing the fracture behavior of circumferentially cracked pipe in a representative piping system under combined inertial and displacement-controlled stresses. A unique experimental facility was designed and constructed. The piping system evaluated is an expansion loop with over 30 meters of 16-inch diameter Schedule 100 pipe. The experimental facility is equipped with special hardware to ensure system boundary conditions could be appropriately modeled. The test matrix involved one uncracked andmore » five cracked dynamic pipe-system experiments. The uncracked experiment was conducted to evaluate piping system damping and natural frequency characteristics. The cracked-pipe experiments evaluated the fracture behavior, pipe system response, and stability characteristics of five different materials. All cracked-pipe experiments were conducted at PWR conditions. Material characterization efforts provided tensile and fracture toughness properties of the different pipe materials at various strain rates and temperatures. Results from all pipe-system experiments and material characterization efforts are presented. Results of fracture mechanics analyses, dynamic finite element stress analyses, and stability analyses are presented and compared with experimental results.« less

Vibrations of bioionic liquids by ab initio molecular dynamics and vibrational spectroscopy.

PubMed

Tanzi, Luana; Benassi, Paola; Nardone, Michele; Ramondo, Fabio

2014-12-26

Density functional theory and vibrational spectroscopy are used to investigate a class of bioionic liquids consisting of a choline cation and carboxylate anions. Through quantum mechanical studies of motionless ion pairs and molecular dynamics of small portions of the liquid, we have characterized important structural features of the ionic liquid. Hydrogen bonding produces stable ion pairs in the liquid and induces vibrational features of the carboxylate groups comparable with experimental results. Infrared and Raman spectra of liquids have been measured, and main bands have been assigned on the basis of theoretical spectra.

Thermal evaluation of advanced solar dynamic heat receiver performance

NASA Technical Reports Server (NTRS)

Crane, Roger A.

1989-01-01

The thermal performance of a variety of concepts for thermal energy storage as applied to solar dynamic applications is discussed. It is recognized that designs providing large thermal gradients or large temperature swings during orbit are susceptible to early mechanical failure. Concepts incorporating heat pipe technology may encounter operational limitations over sufficiently large ranges. By reviewing the thermal performance of basic designs, the relative merits of the basic concepts are compared. In addition the effect of thermal enhancement and metal utilization as applied to each design provides a partial characterization of the performance improvements to be achieved by developing these technologies.

Signal analysis techniques for incipient failure detection in turbomachinery

NASA Technical Reports Server (NTRS)

Coffin, T.

1985-01-01

Signal analysis techniques for the detection and classification of incipient mechanical failures in turbomachinery were developed, implemented and evaluated. Signal analysis techniques available to describe dynamic measurement characteristics are reviewed. Time domain and spectral methods are described, and statistical classification in terms of moments is discussed. Several of these waveform analysis techniques were implemented on a computer and applied to dynamic signals. A laboratory evaluation of the methods with respect to signal detection capability is described. Plans for further technique evaluation and data base development to characterize turbopump incipient failure modes from Space Shuttle main engine (SSME) hot firing measurements are outlined.

STARD6 on steroids: solution structure, multiple timescale backbone dynamics and ligand binding mechanism

NASA Astrophysics Data System (ADS)

Létourneau, Danny; Bédard, Mikaël; Cabana, Jérôme; Lefebvre, Andrée; Lehoux, Jean-Guy; Lavigne, Pierre

2016-06-01

START domain proteins are conserved α/β helix-grip fold that play a role in the non-vesicular and intracellular transport of lipids and sterols. The mechanism and conformational changes permitting the entry of the ligand into their buried binding sites is not well understood. Moreover, their functions and the identification of cognate ligands is still an active area of research. Here, we report the solution structure of STARD6 and the characterization of its backbone dynamics on multiple time-scales through 15N spin-relaxation and amide exchange studies. We reveal for the first time the presence of concerted fluctuations in the Ω1 loop and the C-terminal helix on the microsecond-millisecond time-scale that allows for the opening of the binding site and ligand entry. We also report that STARD6 binds specifically testosterone. Our work represents a milestone for the study of ligand binding mechanism by other START domains and the elucidation of the biological function of STARD6.

Atomic and vibrational origins of mechanical toughness in bioactive cement during setting

PubMed Central

Tian, Kun V.; Yang, Bin; Yue, Yuanzheng; Bowron, Daniel T.; Mayers, Jerry; Donnan, Robert S.; Dobó-Nagy, Csaba; Nicholson, John W.; Fang, De-Cai; Greer, A. Lindsay; Chass, Gregory A.; Greaves, G. Neville

2015-01-01

Bioactive glass ionomer cements (GICs) have been in widespread use for ∼40 years in dentistry and medicine. However, these composites fall short of the toughness needed for permanent implants. Significant impediment to improvement has been the requisite use of conventional destructive mechanical testing, which is necessarily retrospective. Here we show quantitatively, through the novel use of calorimetry, terahertz (THz) spectroscopy and neutron scattering, how GIC's developing fracture toughness during setting is related to interfacial THz dynamics, changing atomic cohesion and fluctuating interfacial configurations. Contrary to convention, we find setting is non-monotonic, characterized by abrupt features not previously detected, including a glass–polymer coupling point, an early setting point, where decreasing toughness unexpectedly recovers, followed by stress-induced weakening of interfaces. Subsequently, toughness declines asymptotically to long-term fracture test values. We expect the insight afforded by these in situ non-destructive techniques will assist in raising understanding of the setting mechanisms and associated dynamics of cementitious materials. PMID:26548704

Microstructural Characteristic of the Al-Fe-Cu Alloy During High-Speed Repetitive Continuous Extrusion Forming

NASA Astrophysics Data System (ADS)

Hu, Jiamin; Teng, Jie; Ji, Xiankun; Kong, Xiangxin; Jiang, Fulin; Zhang, Hui

2016-11-01

High-speed repetitive continuous extrusion forming process (R-Conform process) was performed on the Al-Fe-Cu alloy. The microstructural evolution and mechanical properties were studied by x-ray diffraction, electron backscatter diffraction, transmission electron microscopy and tensile testing. The results show that a significant improvement of tensile ductility concurs with a considerable loss of tensile strength before four passes, after that the process on mechanical properties variation tends to be steady, indicating an accelerated mechanical softening occurs when comparing to low-speed R-Conform process. Microstructure characterization indicates that the accumulated strain promotes the transformation of low angle boundaries to high angle boundaries, thus leading to the acceleration of continuous dynamic recrystallization process, and the precipitates are broken, spheroidized and homogeneously distribute in Al matrix as increasing R-Conform passes. Massive microshear bands are observed after initial passes of R-Conform process, which may promote continuous dynamic recrystallization and further grain refinement during high-speed R-Conform process.

Power electromagnetic strike machine for engineering-geological surveys

NASA Astrophysics Data System (ADS)

Usanov, K. M.; Volgin, A. V.; Chetverikov, E. A.; Kargin, V. A.; Moiseev, A. P.; Ivanova, Z. I.

2017-10-01

When implementing the processes of dynamic sensing of soils and pulsed nonexplosive seismic exploration, the most common and effective method is the strike one, which is provided by a variety of structure and parameters of pneumatic, hydraulic, electrical machines of strike action. The creation of compact portable strike machines which do not require transportation and use of mechanized means is important. A promising direction in the development of strike machines is the use of pulsed electromagnetic actuator characterized by relatively low energy consumption, relatively high specific performance and efficiency, and providing direct conversion of electrical energy into mechanical work of strike mass with linear movement trajectory. The results of these studies allowed establishing on the basis of linear electromagnetic motors the electromagnetic pulse machines with portable performance for dynamic sensing of soils and land seismic pulse of small depths.

Chemical modification of Nafion membranes by protic ionic liquids: the key role of ionomer-cation interactions.

PubMed

Lu, Fei; Gao, Xinpei; Xie, Shuting; Sun, Nan; Zheng, Liqiang

2014-10-21

Chemically modified Nafion composite membranes were successfully fabricated using five kinds of protic ionic liquids (PILs) with different cations, 1-butylammonium methanesulfonate (BA-MS), tributylammonium methanesulfonate (TBA-MS), 2,4,6-trimethylphenylammonium methanesulfonate (TMA-MS), butane-1,4-diammonium methanesulfonate (BDA-MS), and N-(2-aminoethyl)ethane-1,2-diammonium methanesulfonate (DETA-MS). The PIL incorporated Nafion composite membranes were characterized by impedance spectroscopy, small-angle X-ray scattering (SAXS), dynamic-mechanical analysis (DMA) and thermogravimetric analysis (TGA). In general, the Nafion/PIL composite membranes exhibit a significant increase in the ionic conductivities than Nafion under anhydrous conditions. The interactions between the Nafion ionomer and different geometric cations of PILs were also discussed by the comparison of nanostructures, dynamic-mechanical properties and thermal stabilities of the Nafion/PIL composite membranes.

Oxygen plasma etching of graphene: A first-principles dynamical inspection of the reaction mechanisms and related activation barriers

NASA Astrophysics Data System (ADS)

Koizumi, Kenichi; Boero, Mauro; Shigeta, Yasuteru; Oshiyama, Atsushi; Dept. of Applied Physics Team; Institute of Physics and Chemistry of Strasbourg (IPCMS) Collaboration; Department Of Materials Engineering Science Collaboration

2013-03-01

Oxygen plasma etching is a crucial step in the fabrication of electronic circuits and has recently received a renovated interest in view of the realization of carbon-based nanodevices. In an attempt at unraveling the atomic-scale details and to provide guidelines for the control of the etching processes mechanisms, we inspected the possible reaction pathways via reactive first principles simulations. These processes involve breaking and formation of several chemical bonds and are characterized by different free-energy barriers. Free-energy sampling techniques (metadynamics and blue moon), used to enhance the standard Car-Parrinello molecular dynamics, provide us a detailed microscopic picture of the etching of graphene surfaces and a comprehensive scenario of the activation barriers involved in the various steps. MEXT, Japan - contract N. 22104005

Characterizing fluid dynamics in a bubble column aimed for the determination of reactive mass transfer

NASA Astrophysics Data System (ADS)

Kováts, Péter; Thévenin, Dominique; Zähringer, Katharina

2018-02-01

Bubble column reactors are multiphase reactors that are used in many process engineering applications. In these reactors a gas phase comes into contact with a fluid phase to initiate or support reactions. The transport process from the gas to the liquid phase is often the limiting factor. Characterizing this process is therefore essential for the optimization of multiphase reactors. For a better understanding of the transfer mechanisms and subsequent chemical reactions, a laboratory-scale bubble column reactor was investigated. First, to characterize the flow field in the reactor, two different methods have been applied. The shadowgraphy technique is used for the characterisation of the bubbles (bubble diameter, velocity, shape or position) for various process conditions. This technique is based on particle recognition with backlight illumination, combined with particle tracking velocimetry (PTV). The bubble trajectories in the column can also be obtained in this manner. Secondly, the liquid phase flow has been analysed by particle image velocimetry (PIV). The combination of both methods, delivering relevant information concerning disperse (bubbles) and continuous (liquid) phases, leads to a complete fluid dynamical characterization of the reactor, which is the pre-condition for the analysis of mass transfer between both phases.

The microbiota of traumatic, open fracture wounds is associated with mechanism of injury.

PubMed

Bartow-McKenney, Casey; Hannigan, Geoffrey D; Horwinski, Joseph; Hesketh, Patrick; Horan, Annamarie D; Mehta, Samir; Grice, Elizabeth A

2018-05-26

Open fractures are characterized by disruption of the skin and soft tissue, which allows for microbial contamination and colonization. Preventing infection-related complications of open fractures and other acute wounds remains an evolving challenge due to an incomplete understanding of how microbial colonization and contamination influence healing and outcomes. Culture-independent molecular methods are now widely used to study human-associated microbial communities without introducing culture biases. Using such approaches, the objectives of this study were to 1) define the long-term temporal microbial community dynamics of open fracture wounds and 2) examine microbial community dynamics with respect to clinical and demographic factors. Fifty-two subjects with traumatic open fracture wounds (32 blunt and 20 penetrating injuries) were enrolled prospectively and sampled longitudinally from presentation to the emergency department and at each subsequent inpatient or outpatient encounter. Specimens were collected from both the wound center and adjacent skin. Culture-independent sequencing of the 16S ribosomal RNA gene was employed to identify and characterize microbiota. Upon presentation to the emergency department and time points immediately following, sample collection site (wound or adjacent skin) was the most defining feature discriminating microbial profiles. Microbial composition of adjacent skin and wound center converged over time. Mechanism of injury most strongly defined the microbiota after initial convergence. Further analysis controlling for race, gender, and age revealed that mechanism of injury remained a significant discriminating feature throughout the continuum of care. We conclude that the microbial communities associated with open fracture wounds are dynamic in nature until eventual convergence with the adjacent skin community during healing, with mechanism of injury as an important feature affecting both diversity and composition of the microbiota. A more complete understanding of the factors influencing microbial contamination and/or colonization in open fractures is a critical foundation for identifying markers indicative of outcome and deciphering their respective contributions to healing and/or complication. This article is protected by copyright. All rights reserved. © 2018 by the Wound Healing Society.

In Vitro Characterization of Chain Depolymerization Activities of SUMO-Specific Proteases.

PubMed

Eckhoff, Julia; Dohmen, R Jürgen

2016-01-01

SUMO-specific proteases, known as Ulps in baker's yeast and SENPs in humans, have important roles in controlling the dynamics of SUMO-modified proteins. They display distinct modes of action and specificity, in that they may act on the SUMO precursor, mono-sumoylated, and/or polysumoylated proteins, and they might be specific for substrates with certain SUMO paralogs. SUMO chains may be dismantled either by endo or exo mechanisms. Biochemical characterization of a protease usually requires purification of the protein of interest. Developing a purification protocol, however, can be very difficult, and in some cases, isolation of a protease in its pure form may go along with a substantial loss of activity. To characterize the reaction mechanism of Ulps, we have developed an in vitro assay, which makes use of substrates endowed with artificial poly-SUMO chains of defined lengths, and S. cerevisiae Ulp enzymes in crude extract from E. coli. This fast and economic approach should be applicable to SUMO-specific proteases from other species as well.

Modification of the Interfacial Interaction between Carbon Fiber and Epoxy with Carbon Hybrid Materials

PubMed Central

Yu, Kejing; Wang, Menglei; Wu, Junqing; Qian, Kun; Sun, Jie; Lu, Xuefeng

2016-01-01

The mechanical properties of the hybrid materials and epoxy and carbon fiber (CF) composites were improved significantly as compared to the CF composites made from unmodified epoxy. The reasons could be attributed to the strong interfacial interaction between the CF and the epoxy composites for the existence of carbon nanomaterials. The microstructure and dispersion of carbon nanomaterials were characterized by transmission electron microscopy (TEM) and optical microscopy (OM). The results showed that the dispersion of the hybrid materials in the polymer was superior to other carbon nanomaterials. The high viscosity and shear stress characterized by a rheometer and the high interfacial friction and damping behavior characterized by dynamic mechanical analysis (DMA) indicated that the strong interfacial interaction was greatly improved between fibers and epoxy composites. Remarkably, the tensile tests presented that the CF composites with hybrid materials and epoxy composites have a better reinforcing and toughening effect on CF, which further verified the strong interfacial interaction between epoxy and CF for special structural hybrid materials. PMID:28335217

Dynamical Correspondence in a Generalized Quantum Theory

NASA Astrophysics Data System (ADS)

Niestegge, Gerd

2015-05-01

In order to figure out why quantum physics needs the complex Hilbert space, many attempts have been made to distinguish the C*-algebras and von Neumann algebras in more general classes of abstractly defined Jordan algebras (JB- and JBW-algebras). One particularly important distinguishing property was identified by Alfsen and Shultz and is the existence of a dynamical correspondence. It reproduces the dual role of the selfadjoint operators as observables and generators of dynamical groups in quantum mechanics. In the paper, this concept is extended to another class of nonassociative algebras, arising from recent studies of the quantum logics with a conditional probability calculus and particularly of those that rule out third-order interference. The conditional probability calculus is a mathematical model of the Lüders-von Neumann quantum measurement process, and third-order interference is a property of the conditional probabilities which was discovered by Sorkin (Mod Phys Lett A 9:3119-3127, 1994) and which is ruled out by quantum mechanics. It is shown then that the postulates that a dynamical correspondence exists and that the square of any algebra element is positive still characterize, in the class considered, those algebras that emerge from the selfadjoint parts of C*-algebras equipped with the Jordan product. Within this class, the two postulates thus result in ordinary quantum mechanics using the complex Hilbert space or, vice versa, a genuine generalization of quantum theory must omit at least one of them.

EFFECTS OF ONE WEEK TRITIUM EXPOSURE ON EPDM ELASTOMER

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

Clark, E

This report documents test results for the exposure of four formulations of EPDM (ethylene-propylene diene monomer) elastomer to tritium gas at one atmosphere for approximately one week and characterization of material property changes and changes to the exposure gas during exposure. All EPDM samples were provided by Los Alamos National Laboratory (LANL). Material properties that were characterized include mass, sample dimensions, appearance, flexibility, and dynamic mechanical properties. The glass transition temperature was determined by analysis of the dynamic mechanical property data per ASTM standards. No change of glass transition temperature due to the short tritium gas exposure was observed. Filledmore » and unfilled formulations of Dupont{reg_sign} Nordel{trademark} 1440 had a slightly higher glass transition temperature than filled and unfilled formulations of Uniroyal{reg_sign} Royalene{reg_sign} 580H; filled formulations had the same glass transition as unfilled. The exposed samples appeared the same as before exposure--there was no evidence of discoloration, and no residue on stainless steel spacers contacting the samples during exposure was observed. The exposed samples remained flexible--all formulations passed a break test without failing. The unique properties of polymers make them ideal for certain components in gas handling systems. Specifically, the resiliency of elastomers is ideal for sealing surfaces, for example in valves. EPDM, initially developed in the 1960s, is a hydrocarbon polymer used extensively for sealing applications. EPDM is used for its excellent combination of properties including high/low-temperature resistance, radiation resistance, aging resistance, and good mechanical properties. This report summarizes initial work to characterize effects of tritium gas exposure on samples of four types of EPDM elastomer: graphite filled and unfilled formulations of Nordel{trademark} 1440 and Royalene{reg_sign} 580H.« less

A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1.

PubMed

Zhu, Kongkai; Lu, Junyan; Liang, Zhongjie; Kong, Xiangqian; Ye, Fei; Jin, Lu; Geng, Heji; Chen, Yong; Zheng, Mingyue; Jiang, Hualiang; Li, Jun-Qian; Luo, Cheng

2013-03-01

New Delhi metallo-β-lactamase-1 (NDM-1) has emerged as a major global threat to human health for its rapid rate of dissemination and ability to make pathogenic microbes resistant to almost all known β-lactam antibiotics. In addition, effective NDM-1 inhibitors have not been identified to date. In spite of the plethora of structural and kinetic data available, the accurate molecular characteristics of and details on the enzymatic reaction of NDM-1 hydrolyzing β-lactam antibiotics remain incompletely understood. In this study, a combined computational approach including molecular docking, molecular dynamics simulations and quantum mechanics/molecular mechanics calculations was performed to characterize the catalytic mechanism of meropenem catalyzed by NDM-1. The quantum mechanics/molecular mechanics results indicate that the ionized D124 is beneficial to the cleavage of the C-N bond within the β-lactam ring. Meanwhile, it is energetically favorable to form an intermediate if no water molecule coordinates to Zn2. Moreover, according to the molecular dynamics results, the conserved residue K211 plays a pivotal role in substrate binding and catalysis, which is quite consistent with previous mutagenesis data. Our study provides detailed insights into the catalytic mechanism of NDM-1 hydrolyzing meropenem β-lactam antibiotics and offers clues for the discovery of new antibiotics against NDM-1 positive strains in clinical studies.

The three-dimensional locomotor dynamics of African (Loxodonta africana) and Asian (Elephas maximus) elephants reveal a smooth gait transition at moderate speed

PubMed Central

Ren, Lei; Hutchinson, John R

2007-01-01

We examined whether elephants shift to using bouncing (i.e. running) mechanics at any speed. To do this, we measured the three-dimensional centre of mass (CM) motions and torso rotations of African and Asian elephants using a novel multisensor method. Hundreds of continuous stride cycles were recorded in the field. African and Asian elephants moved very similarly. Near the mechanically and metabolically optimal speed (a Froude number (Fr) of 0.09), an inverted pendulum mechanism predominated. With increasing speed, the locomotor dynamics quickly but continuously became less like vaulting and more like bouncing. Our mechanical energy analysis of the CM suggests that at a surprisingly slow speed (approx. 2.2 m s−1, Fr 0.25), the hindlimbs exhibited bouncing, not vaulting, mechanics during weight support. We infer that a gait transition happens at this relatively slow speed: elephants begin using their compliant hindlimbs like pogo sticks to some extent to drive the body, bouncing over their relatively stiff, vaulting forelimbs. Hence, they are not as rigid limbed as typically characterized for graviportal animals, and use regular walking as well as at least one form of running gait. PMID:17594960

Probing polariton dynamics in trapped ions with phase-coherent two-dimensional spectroscopy

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

Gessner, Manuel; Schlawin, Frank; Buchleitner, Andreas

2015-06-07

We devise a phase-coherent three-pulse protocol to probe the polariton dynamics in a trapped-ion quantum simulation. In contrast to conventional nonlinear signals, the presented scheme does not change the number of excitations in the system, allowing for the investigation of the dynamics within an N-excitation manifold. In the particular case of a filling factor one (N excitations in an N-ion chain), the proposed interaction induces coherent transitions between a delocalized phonon superfluid and a localized atomic insulator phase. Numerical simulations of a two-ion chain demonstrate that the resulting two-dimensional spectra allow for the unambiguous identification of the distinct phases, andmore » the two-dimensional line shapes efficiently characterize the relevant decoherence mechanism.« less

Dynamics of microtubules: highlights of recent computational and experimental investigations

NASA Astrophysics Data System (ADS)

Barsegov, Valeri; Ross, Jennifer L.; Dima, Ruxandra I.

2017-11-01

Microtubules are found in most eukaryotic cells, with homologs in eubacteria and archea, and they have functional roles in mitosis, cell motility, intracellular transport, and the maintenance of cell shape. Numerous efforts have been expended over the last two decades to characterize the interactions between microtubules and the wide variety of microtubule associated proteins that control their dynamic behavior in cells resulting in microtubules being assembled and disassembled where and when they are required by the cell. We present the main findings regarding microtubule polymerization and depolymerization and review recent work about the molecular motors that modulate microtubule dynamics by inducing either microtubule depolymerization or severing. We also discuss the main experimental and computational approaches used to quantify the thermodynamics and mechanics of microtubule filaments.

Measurement and control of quasiparticle dynamics in a superconducting qubit.

PubMed

Wang, C; Gao, Y Y; Pop, I M; Vool, U; Axline, C; Brecht, T; Heeres, R W; Frunzio, L; Devoret, M H; Catelani, G; Glazman, L I; Schoelkopf, R J

2014-12-18

Superconducting circuits have attracted growing interest in recent years as a promising candidate for fault-tolerant quantum information processing. Extensive efforts have always been taken to completely shield these circuits from external magnetic fields to protect the integrity of the superconductivity. Here we show vortices can improve the performance of superconducting qubits by reducing the lifetimes of detrimental single-electron-like excitations known as quasiparticles. Using a contactless injection technique with unprecedented dynamic range, we quantitatively distinguish between recombination and trapping mechanisms in controlling the dynamics of residual quasiparticle, and show quantized changes in quasiparticle trapping rate because of individual vortices. These results highlight the prominent role of quasiparticle trapping in future development of superconducting qubits, and provide a powerful characterization tool along the way.

Characterization of biomechanical properties of cells through dielectrophoresis-based cell stretching and actin cytoskeleton modeling.

PubMed

Bai, Guohua; Li, Ying; Chu, Henry K; Wang, Kaiqun; Tan, Qiulin; Xiong, Jijun; Sun, Dong

2017-04-04

Cytoskeleton is a highly dynamic network that helps to maintain the rigidity of a cell, and the mechanical properties of a cell are closely related to many cellular functions. This paper presents a new method to probe and characterize cell mechanical properties through dielectrophoresis (DEP)-based cell stretching manipulation and actin cytoskeleton modeling. Leukemia NB4 cells were used as cell line, and changes in their biological properties were examined after chemotherapy treatment with doxorubicin (DOX). DEP-integrated microfluidic chip was utilized as a low-cost and efficient tool to study the deformability of cells. DEP forces used in cell stretching were first evaluated through computer simulation, and the results were compared with modeling equations and with the results of optical stretching (OT) experiments. Structural parameters were then extracted by fitting the experimental data into the actin cytoskeleton model, and the underlying mechanical properties of the cells were subsequently characterized. The DEP forces generated under different voltage inputs were calculated and the results from different approaches demonstrate good approximations to the force estimation. Both DEP and OT stretching experiments confirmed that DOX-treated NB4 cells were stiffer than the untreated cells. The structural parameters extracted from the model and the confocal images indicated significant change in actin network after DOX treatment. The proposed DEP method combined with actin cytoskeleton modeling is a simple engineering tool to characterize the mechanical properties of cells.

The dynamic failure behavior of tungsten heavy alloys subjected to transverse loads

NASA Astrophysics Data System (ADS)

Tarcza, Kenneth Robert

Tungsten heavy alloys (WHA), a category of particulate composites used in defense applications as kinetic energy penetrators, have been studied for many years. Even so, their dynamic failure behavior is not fully understood and cannot be predicted by numerical models presently in use. In this experimental investigation, a comprehensive understanding of the high-rate transverse-loading fracture behavior of WHA has been developed. Dynamic fracture events spanning a range of strain rates and loading conditions were created via mechanical testing and used to determine the influence of surface condition and microstructure on damage initiation, accumulation, and sample failure under different loading conditions. Using standard scanning electron microscopy metallographic and fractographic techniques, sample surface condition is shown to be extremely influential to the manner in which WHA fails, causing a fundamental change from externally to internally nucleated failures as surface condition is improved. Surface condition is characterized using electron microscopy and surface profilometry. Fracture surface analysis is conducted using electron microscopy, and linear elastic fracture mechanics is used to understand the influence of surface condition, specifically initial flaw size, on sample failure behavior. Loading conditions leading to failure are deduced from numerical modeling and experimental observation. The results highlight parameters and considerations critical to the understanding of dynamic WHA fracture and the development of dynamic WHA failure models.

Multifractal Fluctuations of Jiuzhaigou Tourists Before and after Wenchuan Earthquake

NASA Astrophysics Data System (ADS)

Shi, Kai; Li, Wen-Yong; Liu, Chun-Qiong; Huang, Zheng-Wen

2013-03-01

In this work, multifractal methods have been successfully used to characterize the temporal fluctuations of daily Jiuzhai Valley domestic and foreign tourists before and after Wenchuan earthquake in China. We used multifractal detrending moving average method (MF-DMA). It showed that Jiuzhai Valley tourism markets are characterized by long-term memory and multifractal nature in. Moreover, the major sources of multifractality are studied. Based on the concept of sliding window, the time evolutions of the multifractal behavior of domestic and foreign tourists were analyzed and the influence of Wenchuan earthquake on Jiuzhai Valley tourism system dynamics were evaluated quantitatively. The study indicates that the inherent dynamical mechanism of Jiuzhai Valley tourism system has not been fundamentally changed from long views, although Jiuzhai Valley tourism system was seriously affected by the Wenchuan earthquake. Jiuzhai Valley tourism system has the ability to restore to its previous state in the short term.

Toward an atomistic description of the urea-denatured state of proteins.

PubMed

Candotti, Michela; Esteban-Martín, Santiago; Salvatella, Xavier; Orozco, Modesto

2013-04-09

We present here the characterization of the structural, dynamics, and energetics of properties of the urea-denatured state of ubiquitin, a small prototypical soluble protein. By combining state-of-the-art molecular dynamics simulations with NMR and small-angle X-ray scattering data, we were able to: (i) define the unfolded state ensemble, (ii) understand the energetics stabilizing unfolded structures in urea, (iii) describe the dedifferential nature of the interactions of the fully unfolded proteins with urea and water, and (iv) characterize the early stages of protein refolding when chemically denatured proteins are transferred to native conditions. The results presented herein are unique in providing a complete picture of the chemically unfolded state of proteins and contribute to deciphering the mechanisms that stabilize the native state of proteins, as well as those that maintain them unfolded in the presence of urea.

Toward an atomistic description of the urea-denatured state of proteins

PubMed Central

Candotti, Michela; Esteban-Martín, Santiago; Salvatella, Xavier; Orozco, Modesto

2013-01-01

We present here the characterization of the structural, dynamics, and energetics of properties of the urea-denatured state of ubiquitin, a small prototypical soluble protein. By combining state-of-the-art molecular dynamics simulations with NMR and small-angle X-ray scattering data, we were able to: (i) define the unfolded state ensemble, (ii) understand the energetics stabilizing unfolded structures in urea, (iii) describe the dedifferential nature of the interactions of the fully unfolded proteins with urea and water, and (iv) characterize the early stages of protein refolding when chemically denatured proteins are transferred to native conditions. The results presented herein are unique in providing a complete picture of the chemically unfolded state of proteins and contribute to deciphering the mechanisms that stabilize the native state of proteins, as well as those that maintain them unfolded in the presence of urea. PMID:23536295

Asymmetric statistics of order books: The role of discreteness and evidence for strategic order placement

NASA Astrophysics Data System (ADS)

Zaccaria, A.; Cristelli, M.; Alfi, V.; Ciulla, F.; Pietronero, L.

2010-06-01

We show that the statistics of spreads in real order books is characterized by an intrinsic asymmetry due to discreteness effects for even or odd values of the spread. An analysis of data from the New York Stock Exchange (NYSE) order book points out that traders’ strategies contribute to this asymmetry. We also investigate this phenomenon in the framework of a microscopic model and, by introducing a nonuniform deposition mechanism for limit orders, we are able to quantitatively reproduce the asymmetry found in the experimental data. Simulations of our model also show a realistic dynamics with a sort of intermittent behavior characterized by long periods in which the order book is compact and liquid interrupted by volatile configurations. The order placement strategies produce a nontrivial behavior of the spread relaxation dynamics which is similar to the one observed in real markets.

Advances in Dynamic Transport of Organic Contaminants in Karst Groundwater Systems

NASA Astrophysics Data System (ADS)

Padilla, I. Y.; Vesper, D.; Alshawabkeh, A.; Hellweger, F.

2011-12-01

Karst groundwater systems develop in soluble rocks such as limestone, and are characterized by high permeability and well-developed conduit porosity. These systems provide important freshwater resources for human consumption and ecological integrity of streams, wetlands, and coastal zones. The same characteristics that make karst aquifers highly productive make them highly vulnerable to contamination. As a result, karst aquifers serve as an important route for contaminants exposure to humans and wildlife. Transport of organic contaminants in karst ground-water occurs in complex pathways influenced by the flow mechanism predominating in the aquifer: conduit-flow dominated systems tend to convey solutes rapidly through the system to a discharge point without much attenuation; diffuse-flow systems, on the other hand, can cause significant solute retardation and slow movement. These two mechanisms represent end members of a wide spectrum of conditions found in karst areas, and often a combination of conduit- and diffuse-flow mechanisms is encountered, where both flow mechanisms can control the fate and transport of contaminants. This is the case in the carbonate aquifers of northern Puerto Rico. This work addresses advances made on the characterization of fate and transport processes in karst ground-water systems characterized by variable conduit and/or diffusion dominated flow under high- and low-flow conditions. It involves laboratory-scale physical modeling and field-scale sampling and historical analysis of contaminant distribution. Statistical analysis of solute transport in Geo-Hydrobed physical models shows the heterogeneous character of transport dynamics in karstic units, and its variability under different flow regimes. Field-work analysis of chlorinated volatile organic compounds and phthalates indicates a large capacity of the karst systems to store and transmit contaminants. This work is part of the program "Puerto Rico Testsite for Exploring Contamination Threats (PRoTECT)" supported by the National Institute of Environmental Health Sciences (NIEHS, Grant Award No. P42ES017198).

Structural characterization of a hydroperoxo nickel complex and its autoxidation: mechanism of interconversion between peroxo, superoxo, and hydroperoxo species.

PubMed

Rettenmeier, Christoph A; Wadepohl, Hubert; Gade, Lutz H

2015-04-13

Pincer-stabilized nickel(I) complexes readily react with molecular oxygen to form dinuclear 1,2-μ-peroxo-bridged nickel(II) complexes, which are the major components of a dynamic equilibrium with the corresponding mononuclear superoxo species. The peroxo complexes further react with hydrogen peroxide to give the corresponding nickel(II) hydroperoxides. One of these hitherto elusive species was characterized by X-ray diffraction for the first time [O-O bond length: 1.492(2) Å]. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Vibration environment - Acceleration mapping strategy and microgravity requirements for Spacelab and Space Station

NASA Technical Reports Server (NTRS)

Martin, Gary L.; Baugher, Charles R.; Delombard, Richard

1990-01-01

In order to define the acceleration requirements for future Shuttle and Space Station Freedom payloads, methods and hardware characterizing accelerations on microgravity experiment carriers are discussed. The different aspects of the acceleration environment and the acceptable disturbance levels are identified. The space acceleration measurement system features an adjustable bandwidth, wide dynamic range, data storage, and ability to be easily reconfigured and is expected to fly on the Spacelab Life Sciences-1. The acceleration characterization and analysis project describes the Shuttle acceleration environment and disturbance mechanisms, and facilitates the implementation of the microgravity research program.

Measuring the nonlinear elastic properties of tissue-like phantoms.

PubMed

Erkamp, Ramon Q; Skovoroda, Andrei R; Emelianov, Stanislav Y; O'Donnell, Matthew

2004-04-01

A direct mechanical system simultaneously measuring external force and deformation of samples over a wide dynamic range is used to obtain force-displacement curves of tissue-like phantoms under plain strain deformation. These measurements, covering a wide deformation range, then are used to characterize the nonlinear elastic properties of the phantom materials. The model assumes incompressible media, in which several strain energy potentials are considered. Finite-element analysis is used to evaluate the performance of this material characterization procedure. The procedures developed allow calibration of nonlinear elastic phantoms for elasticity imaging experiments and finite-element simulations.

Dynamic response of a piezoelectric flapping wing

NASA Astrophysics Data System (ADS)

Kumar, Alok; Khandwekar, Gaurang; Venkatesh, S.; Mahapatra, D. R.; Dutta, S.

2015-03-01

Piezo-composite membranes have advantages over motorized flapping where frequencies are high and certain coupling between bending and twisting is useful to generate lift and forward flight. We draw examples of fruit fly and bumble bee. Wings with Piezo ceramic PZT coating are realized. The passive mechanical response of the wing is characterized experimentally and validated using finite element simulation. Piezoelectric actuation with uniform electrode coating is characterized and optimal frequencies for flapping are identified. The experimental data are used in an empirical model and advanced ratio for a flapping insect like condition for various angular orientations is estimated.

Experimental oligopolies modeling: A dynamic approach based on heterogeneous behaviors

NASA Astrophysics Data System (ADS)

Cerboni Baiardi, Lorenzo; Naimzada, Ahmad K.

2018-05-01

In the rank of behavioral rules, imitation-based heuristics has received special attention in economics (see [14] and [12]). In particular, imitative behavior is considered in order to understand the evidences arising in experimental oligopolies which reveal that the Cournot-Nash equilibrium does not emerge as unique outcome and show that an important component of the production at the competitive level is observed (see e.g.[1,3,9] or [7,10]). By considering the pioneering groundbreaking approach of [2], we build a dynamical model of linear oligopolies where heterogeneous decision mechanisms of players are made explicit. In particular, we consider two different types of quantity setting players characterized by different decision mechanisms that coexist and operate simultaneously: agents that adaptively adjust their choices towards the direction that increases their profit are embedded with imitator agents. The latter ones use a particular form of proportional imitation rule that considers the awareness about the presence of strategic interactions. It is noteworthy that the Cournot-Nash outcome is a stationary state of our models. Our thesis is that the chaotic dynamics arousing from a dynamical model, where heterogeneous players are considered, are capable to qualitatively reproduce the outcomes of experimental oligopolies.

Dynamic mechanical characterization of aluminum: analysis of strain-rate-dependent behavior

NASA Astrophysics Data System (ADS)

Rahmat, Meysam

2018-05-01

A significant number of materials show different mechanical behavior under dynamic loads compared to quasi-static (Salvado et al. in Prog. Mater. Sci. 88:186-231, 2017). Therefore, a comprehensive study of material dynamic behavior is essential for applications in which dynamic loads are dominant (Li et al. in J. Mater. Process. Technol. 255:373-386, 2018). In this work, aluminum 6061-T6, as an example of ductile alloys with numerous applications including in the aerospace industry, has been studied under quasi-static and dynamic tensile tests with strain rates of up to 156 s^{-1}. Dogbone specimens were designed, instrumented and tested with a high speed servo-hydraulic load frame, and the results were validated with the literature. It was observed that at a strain rate of 156 s^{-1} the yield and ultimate strength increased by 31% and 33% from their quasi-static values, respectively. Moreover, the failure elongation and fracture energy per unit volume also increased by 18% and 52%, respectively. A Johnson-Cook model was used to capture the behavior of the material at different strain rates, and a modified version of this model was presented to enhance the capabilities of the original model, especially in predicting material properties close to the failure point. Finally, the fracture surfaces of specimens tested under quasi-static and dynamic loads were compared and conclusions about the differences were drawn.

Time-varying economic dominance in financial markets: A bistable dynamics approach

NASA Astrophysics Data System (ADS)

He, Xue-Zhong; Li, Kai; Wang, Chuncheng

2018-05-01

By developing a continuous-time heterogeneous agent financial market model of multi-assets traded by fundamental and momentum investors, we provide a potential mechanism for generating time-varying dominance between fundamental and non-fundamental in financial markets. We show that investment constraints lead to the coexistence of a locally stable fundamental steady state and a locally stable limit cycle around the fundamental, characterized by a Bautin bifurcation. This provides a mechanism for market prices to switch stochastically between the two persistent but very different market states, leading to the coexistence and time-varying dominance of seemingly controversial efficient market and price momentum over different time periods. The model also generates other financial market stylized facts, such as spillover effects in both momentum and volatility, market booms, crashes, and correlation reduction due to cross-sectional momentum trading. Empirical evidence based on the U.S. market supports the main findings. The mechanism developed in this paper can be used to characterize time-varying economic dominance in economics and finance in general.

Time-varying economic dominance in financial markets: A bistable dynamics approach.

PubMed

He, Xue-Zhong; Li, Kai; Wang, Chuncheng

2018-05-01

By developing a continuous-time heterogeneous agent financial market model of multi-assets traded by fundamental and momentum investors, we provide a potential mechanism for generating time-varying dominance between fundamental and non-fundamental in financial markets. We show that investment constraints lead to the coexistence of a locally stable fundamental steady state and a locally stable limit cycle around the fundamental, characterized by a Bautin bifurcation. This provides a mechanism for market prices to switch stochastically between the two persistent but very different market states, leading to the coexistence and time-varying dominance of seemingly controversial efficient market and price momentum over different time periods. The model also generates other financial market stylized facts, such as spillover effects in both momentum and volatility, market booms, crashes, and correlation reduction due to cross-sectional momentum trading. Empirical evidence based on the U.S. market supports the main findings. The mechanism developed in this paper can be used to characterize time-varying economic dominance in economics and finance in general.

Injectable Biodegradable Polyurethane Scaffolds with Release of Platelet-derived Growth Factor for Tissue Repair and Regeneration

PubMed Central

Hafeman, Andrea E.; Li, Bing; Yoshii, Toshitaka; Zienkiewicz, Katarzyna; Davidson, Jeffrey M.; Guelcher, Scott A.

2013-01-01

Purpose The purpose of this work was to investigate the effects of triisocyanate composition on the biological and mechanical properties of biodegradable, injectable polyurethane scaffolds for bone and soft tissue engineering. Methods Scaffolds were synthesized using reactive liquid molding techniques, and were characterized in vivo in a rat subcutaneous model. Porosity, dynamic mechanical properties, degradation rate, and release of growth factors were also measured. Results Polyurethane scaffolds were elastomers with tunable damping properties and degradation rates, and they supported cellular infiltration and generation of new tissue. The scaffolds showed a two-stage release profile of platelet-derived growth factor, characterized by a 75% burst release within the first 24 h and slower release thereafter. Conclusions Biodegradable polyurethanes synthesized from triisocyanates exhibited tunable and superior mechanical properties compared to materials synthesized from lysine diisocyanates. Due to their injectability, biocompatibility, tunable degradation, and potential for release of growth factors, these materials are potentially promising therapies for tissue engineering. PMID:18516665

Brillouin microspectroscopy of nanostructured biomaterials: photonics assisted tailoring mechanical properties

NASA Astrophysics Data System (ADS)

Meng, Zhaokai; Jaiswal, Manish K.; Chitrakar, Chandani; Thakur, Teena; Gaharwar, Akhilesh K.; Yakovlev, Vladislav V.

2016-03-01

Developing new biomaterials is essential for the next-generation of materials for bioenergy, bioelectronics, basic biology, medical diagnostics, cancer research, and regenerative medicine. Specifically, recent progress in nanotechnology has stimulated the development of multifunctional biomaterials for tissue engineering applications. The physical properties of nanocomposite biomaterials, including elasticity and viscosity, play key roles in controlling cell fate, which underlines therapeutic success. Conventional mechanical tests, including uniaxial compression and tension, dynamic mechanical analysis and shear rheology, require mechanical forces to be directly exerted onto the sample and therefore may not be suitable for in situ measurements or continuous monitoring of mechanical stiffness. In this study, we employ spontaneous Brillouin spectroscopy as a viscoelasticity-specific probing technique. We utilized a Brillouin spectrometer to characterize biomaterial's microscopic elasticity and correlated those with conventional mechanical tests (e.g., rheology).

Friction Stir Back Extrusion of Aluminium Alloys for Automotive Applications

NASA Astrophysics Data System (ADS)

Xu, Zeren

Since the invention of Friction Stir Welding in 1991 as a solid state joining technique, extensive scientific investigations have been carried out to understand fundamental aspects of material behaviors when processed by this technique, in order to optimize processing conditions as well as mechanical properties of the welds. Based on the basic principles of Friction Stir Welding, several derivatives have also been developed such as Friction Stir Processing, Friction Extrusion and Friction Stir Back Extrusion. Friction Stir Back Extrusion is a novel technique that is proposed recently and designed for fabricating tubes from lightweight alloys. Some preliminary results have been reported regarding microstructure and mechanical properties of Friction Stir Back Extrusion processed AZ31 magnesium alloy, however, systematic study and in-depth investigations are still needed to understand the materials behaviors and underlying mechanisms when subjected to Friction Stir Back Extrusion, especially for age-hardenable Al alloys. In the present study, Friction Stir Back Extrusion processed AA6063-T5 and AA7075-T6 alloys are analyzed with respect to grain structure evolution, micro-texture change, recrystallization mechanisms, precipitation sequence as well as mechanical properties. Optical Microscopy, Electron Backscatter Diffraction, Transmission Electron Microscopy, Vickers Hardness measurements and uniaxial tensile tests are carried out to characterize the microstructural change as well as micro and macro mechanical properties of the processed tubes. Special attention is paid to the micro-texture evolution across the entire tube and dynamic recrystallization mechanisms that are responsible for grain refinement. Significant grain refinement has been observed near the processing zone while the tube wall is characterized by inhomogeneous grain structure across the thickness for both alloys. Dissolution of existing precipitates is noticed under the thermal hysterias imposed by Friction Stir Back Extrusion process, resulting in decreased strength but improved elongation of the processed tubes; a post-process aging step can effectively restore the mechanical properties of the processed tubes by allowing for the reprecipitation of solute elements in the form of fine, dispersed precipitates. Texture analysis performed for AA6063 alloy suggests the dominance of simple shear type textures with clear transition from initial texture to stable B/ ?B components via intermediate types that are stable under moderate strain levels. In order to identify the texture components properly, rigid body rotations are applied to the existing coordinate system to align it to local shear reference frame. Surprisingly, for AA7075 tubes, and fibers are observed to be the dominant texture components in the transition region as well as thermomechanically affected zone while the processing zone is characterized by random texture. The underlying mechanisms responsible for the formation of random texture are discussed in Chapter 5 based on Electron Backscatter Diffraction analysis. Comparative discussions are also carried out for the recrystallization mechanisms that are responsible for grain structure evolution of both alloys. Continuous grain subdivision and reorientation is cited as the dominant mechanism for the recrystallization of AA6063 alloys, while dynamic recrystallization occurs mainly in the form of Geometric Dynamic Recrystallization and progressive subgrain rotations near grain boundaries in AA7075 alloys.

Isotropic actomyosin dynamics promote organization of the apical cell cortex in epithelial cells.

PubMed

Klingner, Christoph; Cherian, Anoop V; Fels, Johannes; Diesinger, Philipp M; Aufschnaiter, Roland; Maghelli, Nicola; Keil, Thomas; Beck, Gisela; Tolić-Nørrelykke, Iva M; Bathe, Mark; Wedlich-Soldner, Roland

2014-10-13

Although cortical actin plays an important role in cellular mechanics and morphogenesis, there is surprisingly little information on cortex organization at the apical surface of cells. In this paper, we characterize organization and dynamics of microvilli (MV) and a previously unappreciated actomyosin network at the apical surface of Madin-Darby canine kidney cells. In contrast to short and static MV in confluent cells, the apical surfaces of nonconfluent epithelial cells (ECs) form highly dynamic protrusions, which are often oriented along the plane of the membrane. These dynamic MV exhibit complex and spatially correlated reorganization, which is dependent on myosin II activity. Surprisingly, myosin II is organized into an extensive network of filaments spanning the entire apical membrane in nonconfluent ECs. Dynamic MV, myosin filaments, and their associated actin filaments form an interconnected, prestressed network. Interestingly, this network regulates lateral mobility of apical membrane probes such as integrins or epidermal growth factor receptors, suggesting that coordinated actomyosin dynamics contributes to apical cell membrane organization. © 2014 Klingner et al.

Characterization of mechanical properties of pseudoelastic shape memory alloys under harmonic excitation

NASA Astrophysics Data System (ADS)

Böttcher, J.; Jahn, M.; Tatzko, S.

2017-12-01

Pseudoelastic shape memory alloys exhibit a stress-induced phase transformation which leads to high strains during deformation of the material. The stress-strain characteristic during this thermomechanical process is hysteretic and results in the conversion of mechanical energy into thermal energy. This energy conversion allows for the use of shape memory alloys in vibration reduction. For the application of shape memory alloys as vibration damping devices a dynamic modeling of the material behavior is necessary. In this context experimentally determined material parameters which accurately represent the material behavior are essential for a reliable material model. Subject of this publication is the declaration of suitable material parameters for pseudoelastic shape memory alloys and the methodology of their identification from experimental investigations. The used test rig was specifically designed for the characterization of pseudoelastic shape memory alloys.

Effect of the Basic Residue on the Energetics, Dynamics and Mechanisms of Gas- Phase Fragmentation of Protonated Peptides

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

Laskin, Julia; Yang, Zhibo; Song, Tao

2010-11-17

The effect of the basic residue on the energetics, dynamics and mechanisms of backbone fragmentation of protonated peptides was investigated. Time- and collision energy-resolved surface-induced dissociation (SID) of singly protonated peptides with the N-terminal arginine residue and their analogs, in which arginine is replaced with less basic lysine and histidine residues was examined using in a specially configured Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS). SID experiments demonstrated very different kinetics of formation of several primary product ions of peptides with and without arginine residue. The energetics and dynamics of these pathways were determined from the RRKM modelingmore » of the experimental data. Comparison between the kinetics and energetics of fragmentation of arginine-containing peptides and the corresponding methyl ester derivatives provides important information on the effect of dissociation pathways involving salt bridge (SB) intermediates on the observed fragmentation behavior. It is found that because pathways involving SB intermediates are characterized by low threshold energies, they efficiently compete with classical oxazolone pathways of arginine-containing peptides on a long timescale of the FT-ICR instrument. In contrast, fragmentation of histidine- and lysine-containing peptides is largely determined by classical oxazolone pathways. Because SB pathways are characterized by negative activation entropies, fragmentation of arginine-containing peptides is kinetically hindered and observed at higher collision energies as compared to their lysine- and histidine-containing analogs.« less

Deflection Analysis of the Space Shuttle External Tank Door Drive Mechanism

NASA Technical Reports Server (NTRS)

Tosto, Michael A.; Trieu, Bo C.; Evernden, Brent A.; Hope, Drew J.; Wong, Kenneth A.; Lindberg, Robert E.

2008-01-01

Upon observing an abnormal closure of the Space Shuttle s External Tank Doors (ETD), a dynamic model was created in MSC/ADAMS to conduct deflection analyses of the Door Drive Mechanism (DDM). For a similar analysis, the traditional approach would be to construct a full finite element model of the mechanism. The purpose of this paper is to describe an alternative approach that models the flexibility of the DDM using a lumped parameter approximation to capture the compliance of individual parts within the drive linkage. This approach allows for rapid construction of a dynamic model in a time-critical setting, while still retaining the appropriate equivalent stiffness of each linkage component. As a validation of these equivalent stiffnesses, finite element analysis (FEA) was used to iteratively update the model towards convergence. Following this analysis, deflections recovered from the dynamic model can be used to calculate stress and classify each component s deformation as either elastic or plastic. Based on the modeling assumptions used in this analysis and the maximum input forcing condition, two components in the DDM show a factor of safety less than or equal to 0.5. However, to accurately evaluate the induced stresses, additional mechanism rigging information would be necessary to characterize the input forcing conditions. This information would also allow for the classification of stresses as either elastic or plastic.

New types of experimental data shape the use of enzyme kinetics for dynamic network modeling.

PubMed

Tummler, Katja; Lubitz, Timo; Schelker, Max; Klipp, Edda

2014-01-01

Since the publication of Leonor Michaelis and Maude Menten's paper on the reaction kinetics of the enzyme invertase in 1913, molecular biology has evolved tremendously. New measurement techniques allow in vivo characterization of the whole genome, proteome or transcriptome of cells, whereas the classical enzyme essay only allows determination of the two Michaelis-Menten parameters V and K(m). Nevertheless, Michaelis-Menten kinetics are still commonly used, not only in the in vitro context of enzyme characterization but also as a rate law for enzymatic reactions in larger biochemical reaction networks. In this review, we give an overview of the historical development of kinetic rate laws originating from Michaelis-Menten kinetics over the past 100 years. Furthermore, we briefly summarize the experimental techniques used for the characterization of enzymes, and discuss web resources that systematically store kinetic parameters and related information. Finally, describe the novel opportunities that arise from using these data in dynamic mathematical modeling. In this framework, traditional in vitro approaches may be combined with modern genome-scale measurements to foster thorough understanding of the underlying complex mechanisms. © 2013 FEBS.

Hybrid parameter identification of a multi-modal underwater soft robot.

PubMed

Giorgio-Serchi, F; Arienti, A; Corucci, F; Giorelli, M; Laschi, C

2017-02-28

We introduce an octopus-inspired, underwater, soft-bodied robot capable of performing waterborne pulsed-jet propulsion and benthic legged-locomotion. This vehicle consists for as much as 80% of its volume of rubber-like materials so that structural flexibility is exploited as a key element during both modes of locomotion. The high bodily softness, the unconventional morphology and the non-stationary nature of its propulsion mechanisms require dynamic characterization of this robot to be dealt with by ad hoc techniques. We perform parameter identification by resorting to a hybrid optimization approach where the characterization of the dual ambulatory strategies of the robot is performed in a segregated fashion. A least squares-based method coupled with a genetic algorithm-based method is employed for the swimming and the crawling phases, respectively. The outcomes bring evidence that compartmentalized parameter identification represents a viable protocol for multi-modal vehicles characterization. However, the use of static thrust recordings as the input signal in the dynamic determination of shape-changing self-propelled vehicles is responsible for the critical underestimation of the quadratic drag coefficient.

Development and Validation of a Bioreactor System for Dynamic Loading and Mechanical Characterization of Whole Human Intervertebral Discs in Organ Culture

PubMed Central

Walter, BA; Illien-Junger, S; Nasser, P; Hecht, AC; Iatridis, JC

2014-01-01

Intervertebral disc (IVD) degeneration is a common cause of back pain, and attempts to develop therapies are frustrated by lack of model systems that mimic the human condition. Human IVD organ culture models can address this gap, yet current models are limited since vertebral endplates are removed to maintain cell viability, physiological loading is not applied, and mechanical behaviors are not measured. This study aimed to (i) establish a method for isolating human IVDs from autopsy with intact vertebral endplates, and (ii) develop and validate an organ culture loading system for human or bovine IVDs. Human IVDs with intact endplates were isolated from cadavers within 48 hours of death and cultured for up to 21 days. IVDs remained viable with ~80% cell viability in nucleus and annulus regions. A dynamic loading system was designed and built with the capacity to culture 9 bovine or 6 human IVDs simultaneously while applying simulated physiologic loads (maximum force: 4kN) and measuring IVD mechanical behaviors. The loading system accurately applied dynamic loading regimes (RMS error <2.5N and total harmonic distortion <2.45%), and precisely evaluated mechanical behavior of rubber and bovine IVDs. Bovine IVDs maintained their mechanical behavior and retained >85% viable cells throughout the 3 week culture period. This organ culture loading system can closely mimic physiological conditions and be used to investigate response of living human and bovine IVDs to mechanical and chemical challenges and to screen therapeutic repair techniques. PMID:24725441

Do protein crystals nucleate within dense liquid clusters?

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

Maes, Dominique, E-mail: dommaes@vub.ac.be; Vorontsova, Maria A.; Potenza, Marco A. C.

2015-06-27

The evolution of protein-rich clusters and nucleating crystals were characterized by dynamic light scattering (DLS), confocal depolarized dynamic light scattering (cDDLS) and depolarized oblique illumination dark-field microscopy. Newly nucleated crystals within protein-rich clusters were detected directly. These observations indicate that the protein-rich clusters are locations for crystal nucleation. Protein-dense liquid clusters are regions of high protein concentration that have been observed in solutions of several proteins. The typical cluster size varies from several tens to several hundreds of nanometres and their volume fraction remains below 10{sup −3} of the solution. According to the two-step mechanism of nucleation, the protein-rich clustersmore » serve as locations for and precursors to the nucleation of protein crystals. While the two-step mechanism explained several unusual features of protein crystal nucleation kinetics, a direct observation of its validity for protein crystals has been lacking. Here, two independent observations of crystal nucleation with the proteins lysozyme and glucose isomerase are discussed. Firstly, the evolutions of the protein-rich clusters and nucleating crystals were characterized simultaneously by dynamic light scattering (DLS) and confocal depolarized dynamic light scattering (cDDLS), respectively. It is demonstrated that protein crystals appear following a significant delay after cluster formation. The cDDLS correlation functions follow a Gaussian decay, indicative of nondiffusive motion. A possible explanation is that the crystals are contained inside large clusters and are driven by the elasticity of the cluster surface. Secondly, depolarized oblique illumination dark-field microscopy reveals the evolution from liquid clusters without crystals to newly nucleated crystals contained in the clusters to grown crystals freely diffusing in the solution. Collectively, the observations indicate that the protein-rich clusters in lysozyme and glucose isomerase solutions are locations for crystal nucleation.« less

Angular measurements of the dynein ring reveal a stepping mechanism dependent on a flexible stalk

PubMed Central

Lippert, Lisa G.; Dadosh, Tali; Hadden, Jodi A.; Karnawat, Vishakha; Diroll, Benjamin T.; Murray, Christopher B.; Holzbaur, Erika L. F.; Schulten, Klaus; Reck-Peterson, Samara L.; Goldman, Yale E.

2017-01-01

The force-generating mechanism of dynein differs from the force-generating mechanisms of other cytoskeletal motors. To examine the structural dynamics of dynein’s stepping mechanism in real time, we used polarized total internal reflection fluorescence microscopy with nanometer accuracy localization to track the orientation and position of single motors. By measuring the polarized emission of individual quantum nanorods coupled to the dynein ring, we determined the angular position of the ring and found that it rotates relative to the microtubule (MT) while walking. Surprisingly, the observed rotations were small, averaging only 8.3°, and were only weakly correlated with steps. Measurements at two independent labeling positions on opposite sides of the ring showed similar small rotations. Our results are inconsistent with a classic power-stroke mechanism, and instead support a flexible stalk model in which interhead strain rotates the rings through bending and hinging of the stalk. Mechanical compliances of the stalk and hinge determined based on a 3.3-μs molecular dynamics simulation account for the degree of ring rotation observed experimentally. Together, these observations demonstrate that the stepping mechanism of dynein is fundamentally different from the stepping mechanisms of other well-studied MT motors, because it is characterized by constant small-scale fluctuations of a large but flexible structure fully consistent with the variable stepping pattern observed as dynein moves along the MT. PMID:28533393

Ballistic Characterization of the Scalability of Magnesium Alloy AMX602

DTIC Science & Technology

2015-07-01

Powder Metallurgy 4 5. Fabrication Procedure 4 6. Mechanical Property Analysis 5 7. Ballistic Experimental Procedures 6 8. Ballistic Experimental...compositions of noncombustive Mg alloy powders 4. Powder Metallurgy The powder was consolidated at room temperature using a 2,000-kN hydraulic press...evaluation of advanced powder metallurgy magnesium alloys for dynamic applications. Aberdeen Proving Ground (MD): Army Research Laboratory (US); 2009 May

Molecular Dynamics Characterization of the Conformational Landscape of Small Peptides: A Series of Hands-On Collaborative Practical Sessions for Undergraduate Students

ERIC Educational Resources Information Center

Rodrigues, João P. G. L. M.; Melquiond, Adrien S. J.; Bonvin, Alexandre M. J. J.

2016-01-01

Molecular modelling and simulations are nowadays an integral part of research in areas ranging from physics to chemistry to structural biology, as well as pharmaceutical drug design. This popularity is due to the development of high-performance hardware and of accurate and efficient molecular mechanics algorithms by the scientific community. These…

Characterization of chemical interactions during chemical mechanical polishing (CMP) of copper

NASA Astrophysics Data System (ADS)

Lee, Seung-Mahn

2003-10-01

Chemical mechanical polishing (CMP) has received much attention as an unique technique to provide a wafer level planarization in semiconductor manufacturing. However, despite the extensive use of CMP, it still remains one of the least understood areas in semiconductor processing. The lack of the fundamental understanding is a significant barrier to further advancements in CMP technology. One critical aspect of metal CMP is the formation of a thin surface layer on the metal surface. The formation and removal of this layer controls all the aspects of the CMP process, including removal rate, surface finish, etc. In this dissertation, we focus on the characterization of the formation and removal of the thin surface layer on the copper surface. The formation dynamics was investigated using static and dynamic electrochemical techniques, including potentiodynamic scans and chronoamperometry. The results were validated using XPS measurements. The mechanical properties of the surface layer were investigated using nanoindentation measurements. The electrochemical investigation showed that the thickness of the surface layer is controlled by the chemicals such as an oxidizer (hydrogen peroxide), a corrosion inhibitor (benzotriazole), a complexing agent (citric acid), and their concentrations. The dynamic electrochemical measurements indicated that the initial layer formation kinetics is unaffected by the corrosion inhibitors. The passivation due to the corrosion inhibitor becomes important only on large time scales (>200 millisecond). The porosity and the density of the chemically modified surface layer can be affected by additives of other chemicals such as citric acid. An optimum density of the surface layer is required for high polishing rate while at the same time maintaining a high degree of surface finish. Nanoindentation measurements indicated that the mechanical properties of the surface layer are strongly dependent on the chemical additives in the slurry. The CMP removal rates were found to be in good agreement with the initial reaction kinetics as well as the mechanical properties of the chemically modified surface layer. In addition, the material removal model based on the micro- and nano-scale interactions, which were measured experimentally, has been developed.

Dynamical patterns of cattle trade movements.

PubMed

Bajardi, Paolo; Barrat, Alain; Natale, Fabrizio; Savini, Lara; Colizza, Vittoria

2011-01-01

Despite their importance for the spread of zoonotic diseases, our understanding of the dynamical aspects characterizing the movements of farmed animal populations remains limited as these systems are traditionally studied as static objects and through simplified approximations. By leveraging on the network science approach, here we are able for the first time to fully analyze the longitudinal dataset of Italian cattle movements that reports the mobility of individual animals among farms on a daily basis. The complexity and inter-relations between topology, function and dynamical nature of the system are characterized at different spatial and time resolutions, in order to uncover patterns and vulnerabilities fundamental for the definition of targeted prevention and control measures for zoonotic diseases. Results show how the stationarity of statistical distributions coexists with a strong and non-trivial evolutionary dynamics at the node and link levels, on all timescales. Traditional static views of the displacement network hide important patterns of structural changes affecting nodes' centrality and farms' spreading potential, thus limiting the efficiency of interventions based on partial longitudinal information. By fully taking into account the longitudinal dimension, we propose a novel definition of dynamical motifs that is able to uncover the presence of a temporal arrow describing the evolution of the system and the causality patterns of its displacements, shedding light on mechanisms that may play a crucial role in the definition of preventive actions.

Dynamical Patterns of Cattle Trade Movements

PubMed Central

Bajardi, Paolo; Barrat, Alain; Natale, Fabrizio; Savini, Lara; Colizza, Vittoria

2011-01-01

Despite their importance for the spread of zoonotic diseases, our understanding of the dynamical aspects characterizing the movements of farmed animal populations remains limited as these systems are traditionally studied as static objects and through simplified approximations. By leveraging on the network science approach, here we are able for the first time to fully analyze the longitudinal dataset of Italian cattle movements that reports the mobility of individual animals among farms on a daily basis. The complexity and inter-relations between topology, function and dynamical nature of the system are characterized at different spatial and time resolutions, in order to uncover patterns and vulnerabilities fundamental for the definition of targeted prevention and control measures for zoonotic diseases. Results show how the stationarity of statistical distributions coexists with a strong and non-trivial evolutionary dynamics at the node and link levels, on all timescales. Traditional static views of the displacement network hide important patterns of structural changes affecting nodes' centrality and farms' spreading potential, thus limiting the efficiency of interventions based on partial longitudinal information. By fully taking into account the longitudinal dimension, we propose a novel definition of dynamical motifs that is able to uncover the presence of a temporal arrow describing the evolution of the system and the causality patterns of its displacements, shedding light on mechanisms that may play a crucial role in the definition of preventive actions. PMID:21625633

Determining the mechanism and parameters of hydrate formation and loss in glucose.

PubMed

Scholl, Sarah K; Schmidt, Shelly J

2014-11-01

Water-solid interactions are known to play a major role in the chemical and physical stability of food materials. Despite its extensive use throughout the food industry, the mechanism and parameters of hydrate formation and loss in glucose are not well characterized. Hydrate formation in alpha-anhydrous glucose (α-AG) and hydrate loss in glucose monohydrate (GM) were studied under equilibrium conditions at various relative humidity (RH) values using saturated salt slurries for 1 y. The mechanism of hydrate formation and hydrate loss were determined through mathematical modeling of Dynamic Vapor Sorption data and Raman spectroscopy was used to confirm the mechanisms. The critical temperature for hydrate loss in GM was determined using thermogravimetric analysis (TGA). The moisture sorption profiles of α-AG and GM were also studied under dynamic conditions using an AquaSorp Isotherm Generator. Hydrate formation was observed at and above 68% RH at 25 °C and the conversion of α-AG to GM can best be described as following a nucleation mechanism, however, diffusion and/or geometric contraction mechanisms were also observed by Raman spectroscopy subsequent to the coalescence of initial nucleation sites. Hydrate loss was observed to occur at and below 11% RH at 25 °C during RH storage and at 70 °C during TGA. The conversion of GM to α-AG follows nucleation and diffusion mechanisms. Hydrate formation was evident under dynamic conditions in α-AG and GM prior to deliquescence. This research is the first to report hydrate formation and loss parameters for crystalline α-AG and GM during extended storage at 25 ˚C. © 2014 Institute of Food Technologists®

Dynamics of Metabolism and Decision Making During Alcohol Consumption: Modeling and Analysis.

PubMed

Giraldo, Luis Felipe; Passino, Kevin M; Clapp, John D; Ruderman, Danielle

2017-11-01

Heavy alcohol consumption is considered an important public health issue in the United States as over 88 000 people die every year from alcohol-related causes. Research is being conducted to understand the etiology of alcohol consumption and to develop strategies to decrease high-risk consumption and its consequences, but there are still important gaps in determining the main factors that influence the consumption behaviors throughout the drinking event. There is a need for methodologies that allow us not only to identify such factors but also to have a comprehensive understanding of how they are connected and how they affect the dynamical evolution of a drinking event. In this paper, we use previous empirical findings from laboratory and field studies to build a mathematical model of the blood alcohol concentration dynamics in individuals that are in drinking events. We characterize these dynamics as the result of the interaction between a decision-making system and the metabolic process for alcohol. We provide a model of the metabolic process for arbitrary alcohol intake patterns and a characterization of the mechanisms that drive the decision-making process of a drinker during the drinking event. We use computational simulations and Lyapunov stability theory to analyze the effects of the parameters of the model on the blood alcohol concentration dynamics that are characterized. Also, we propose a methodology to inform the model using data collected in situ and to make estimations that provide additional information to the analysis. We show how this model allows us to analyze and predict previously observed behaviors, to design new approaches for the collection of data that improves the construction of the model, and help with the design of interventions.

Reactive molecular dynamics of network polymers: Generation, characterization and mechanical properties

NASA Astrophysics Data System (ADS)

Shankar, Chandrashekar

The goal of this research was to gain a fundamental understanding of the properties of networks created by the ring opening metathesis polymerization (ROMP) of dicyclopentadiene (DCPD) used in self-healing materials. To this end we used molecular simulation methods to generate realistic structures of DCPD networks, characterize their structures, and determine their mechanical properties. Density functional theory (DFT) calculations, complemented by structural information derived from molecular dynamics simulations were used to reconstruct experimental Raman spectra and differential scanning calorimetry (DSC) data. We performed coarse-grained simulations comparing networks generated via the ROMP reaction process and compared them to those generated via a RANDOM process, which led to the fundamental realization that the polymer topology has a unique influence on the network properties. We carried out fully atomistic simulations of DCPD using a novel algorithm for recreating ROMP reactions of DCPD molecules. Mechanical properties derived from these atomistic networks are in excellent agreement with those obtained from coarse-grained simulations in which interactions between nodes are subject to angular constraints. This comparison provides self-consistent validation of our simulation results and helps to identify the level of detail necessary for the coarse-grained interaction model. Simulations suggest networks can classified into three stages: fluid-like, rubber-like or glass-like delineated by two thresholds in degree of reaction alpha: The onset of finite magnitudes for the Young's modulus, alphaY, and the departure of the Poisson ration from 0.5, alphaP. In each stage the polymer exhibits a different predominant mechanical response to deformation. At low alpha < alphaY it flows. At alpha Y < alpha < alphaP the response is entropic with no change in internal energy. At alpha > alphaP the response is enthalpic change in internal energy. We developed graph theory-based network characterizations to correlate between network topology and the simulated mechanical properties. (1) Eigenvector centrality (2) Graph fractal dimension, (3) Fiedler partitioning, and (4) Cross-link fraction (Q3+Q4). Of these quantities, the Fiedler partition is the best characteristic for the prediction of Young's Modulus. The new computational tools developed in this research are of great fundamental and practical interest.

Development, characterization, and applications of self-assembling, photocrosslinkable collagen-based hydrogels

NASA Astrophysics Data System (ADS)

Gaudet, Ian Daniel

Development of functional soft-tissue engineered constructs for use in regenerative medicine is currently limited by homogeneity within scaffolds that fails to recapitulate the complex architecture that supports normal function in healthy tissues. Additionally, recent breakthroughs in our understanding the biomechanical cell-matrix interface have provided insight into the role of substrate compliance during development and in the pathophysiological environment. This thesis is the result of investigation into using type-I collagen as a base material for creating dynamic, self-assembling, mechanically and biochemically tunable 3D hydrogel scaffolds into which instructive cellular cues can be imparted anisotropically via the directed application of light. This overarching goal was approached by (1) evaluating extant methods for photonically manipulating type I collagen mechanical properties, which led us to the conclusion that published methods were inadequate for our purposes. Following this realization, we (2) developed a novel process for derivatizing free amines on collagen amino acid residues to reactive methacrylamide moieties, allowing robust spatiotemporal control of mechanical properties through photocrosslinking with long-wave UV light and the water-soluble photoinitiator Irgacure 2959. Thorough characterization of this material, collagen methacrylamide (CMA), provided the basis for multiple applications in the field of soft tissue engineering. Additionally, (3) CMA was used in conjunction with synthetic photopolymers in an effort to create a hybrid natural/synthetic hydrogel material. CMA was also (4) employed as a dynamic hydrogel scaffold which we showed could be used to culture a number of neurogenic stem and progenitor cell types with a focus on using photomodulation to impart instructive heterogeneity to the mechanical and biochemical microenvironment. Finally, (5) we used a computational modeling approach to explain interesting yet poorly understood material phenomena exhibited by CMA observed during characterization. Using sequence and structure based models of an optimized triple helical segment of type-I collagen, we obtained valuable insight into the role of amino acid electrostatic interactions in CMA thermodynamic behavior as well as in the context of understanding the biophysical mechanisms of native type I collagen self-assembly and stability.

A multivariate time-frequency method to characterize the influence of respiration over heart period and arterial pressure

NASA Astrophysics Data System (ADS)

Orini, Michele; Bailón, Raquel; Laguna, Pablo; Mainardi, Luca T.; Barbieri, Riccardo

2012-12-01

Respiratory activity introduces oscillations both in arterial pressure and heart period, through mechanical and autonomic mechanisms. Respiration, arterial pressure, and heart period are, generally, non-stationary processes and the interactions between them are dynamic. In this study we present a methodology to robustly estimate the time course of cross spectral indices to characterize dynamic interactions between respiratory oscillations of heart period and blood pressure, as well as their interactions with respiratory activity. Time-frequency distributions belonging to Cohen's class are used to estimate time-frequency (TF) representations of coherence, partial coherence and phase difference. The characterization is based on the estimation of the time course of cross spectral indices estimated in specific TF regions around the respiratory frequency. We used this methodology to describe the interactions between respiration, heart period variability (HPV) and systolic arterial pressure variability (SAPV) during tilt table test with both spontaneous and controlled respiratory patterns. The effect of selective autonomic blockade was also studied. Results suggest the presence of common underling mechanisms of regulation between cardiovascular signals, whose interactions are time-varying. SAPV changes followed respiratory flow both in supine and standing positions and even after selective autonomic blockade. During head-up tilt, phase differences between respiration and SAPV increased. Phase differences between respiration and HPV were comparable to those between respiration and SAPV during supine position, and significantly increased during standing. As a result, respiratory oscillations in SAPV preceded respiratory oscillations in HPV during standing. Partial coherence was the most sensitive index to orthostatic stress. Phase difference estimates were consistent among spontaneous and controlled breathing patterns, whereas coherence was higher in spontaneous breathing. Parasympathetic blockade did not affect interactions between respiration and SAPV, reduced the coherence between SAPV and HPV and between respiration and HPV. Our results support the hypothesis that non-autonomic, possibly mechanically mediated, mechanisms also contributes to the respiratory oscillations in HPV. A small contribution of sympathetic activity on HPV-SAPV interactions around the respiratory frequency was also observed.

Dynamics and Emergent Structures in Active Fluids

NASA Astrophysics Data System (ADS)

Baskaran, Aparna

2014-03-01

In this talk, we consider an active fluid of colloidal sized particles, with the primary manifestation of activity being a self-replenishing velocity along one body axis of the particle. This is a minimal model for varied systems such as bacterial colonies, cytoskeletal filament motility assays vibrated granular particles and self propelled diffusophoretic colloids, depending on the nature of interaction among the particles. Using microscopic Brownian dynamics simulations, coarse-graining using the tools of non-equilibrium statistical mechanics and analysis of macroscopic hydrodynamic theories, we characterize emergent structures seen in these systems, which are determined by the symmetry of the interactions among the active units, such as propagating density waves, dense stationary bands, asters and phase separated isotropic clusters. We identify a universal mechanism, termed ``self-regulation,'' as the underlying physics that leads to these structures in diverse systems. Support from NSF through DMR-1149266 and DMR-0820492.

Moyamoya disease-associated protein mysterin/RNF213 is a novel AAA+ ATPase, which dynamically changes its oligomeric state

NASA Astrophysics Data System (ADS)

Morito, Daisuke; Nishikawa, Kouki; Hoseki, Jun; Kitamura, Akira; Kotani, Yuri; Kiso, Kazumi; Kinjo, Masataka; Fujiyoshi, Yoshinori; Nagata, Kazuhiro

2014-03-01

Moyamoya disease is an idiopathic human cerebrovascular disorder that is characterized by progressive stenosis and abnormal collateral vessels. We recently identified mysterin/RNF213 as its first susceptibility gene, which encodes a 591-kDa protein containing enzymatically active P-loop ATPase and ubiquitin ligase domains and is involved in proper vascular development in zebrafish. Here we demonstrate that mysterin further contains two tandem AAA+ ATPase modules and forms huge ring-shaped oligomeric complex. AAA+ ATPases are known to generally mediate various biophysical and mechanical processes with the characteristic ring-shaped structure. Fluorescence correlation spectroscopy and biochemical evaluation suggested that mysterin dynamically changes its oligomeric forms through ATP/ADP binding and hydrolysis cycles. Thus, the moyamoya disease-associated gene product is a unique protein that functions as ubiquitin ligase and AAA+ ATPase, which possibly contributes to vascular development through mechanical processes in the cell.

Controlled Shape Memory Behavior of a Smectic Main-Chain Liquid Crystalline Elastomer

DOE PAGES

Li, Yuzhan; Pruitt, Cole; Rios, Orlando; ...

2015-04-10

Here, we describe how a smectic main-chain liquid crystalline elastomer (LCE), with controlled shape memory behavior, is synthesized by polymerizing a biphenyl-based epoxy monomer with an aliphatic carboxylic acid curing agent. Microstructures of the LCEs, including their liquid crystallinity and cross-linking density, are modified by adjusting the stoichiometric ratio of the reactants to tailor the thermomechanical properties and shape memory behavior of the material. Thermal and liquid crystalline properties of the LCEs, characterized using differential scanning calorimetry and dynamic mechanical analysis, and structural analysis, performed using small-angle and wide-angle X-ray scattering, show that liquid crystallinity, cross-linking density, and network rigiditymore » are strongly affected by the stoichiometry of the curing reaction. With appropriate structural modifications it is possible to tune the thermal, dynamic mechanical, and thermomechanical properties as well as the shape memory and thermal degradation behavior of LCEs.« less

Plasmodium sporozoite motility is modulated by the turnover of discrete adhesion sites.

PubMed

Münter, Sylvia; Sabass, Benedikt; Selhuber-Unkel, Christine; Kudryashev, Mikhail; Hegge, Stephan; Engel, Ulrike; Spatz, Joachim P; Matuschewski, Kai; Schwarz, Ulrich S; Frischknecht, Friedrich

2009-12-17

Sporozoites are the highly motile stages of the malaria parasite injected into the host's skin during a mosquito bite. In order to navigate inside of the host, sporozoites rely on actin-dependent gliding motility. Although the major components of the gliding machinery are known, the spatiotemporal dynamics of the proteins and the underlying mechanism powering forward locomotion remain unclear. Here, we show that sporozoite motility is characterized by a continuous sequence of stick-and-slip phases. Reflection interference contrast and traction force microscopy identified the repeated turnover of discrete adhesion sites as the underlying mechanism of this substrate-dependent type of motility. Transient forces correlated with the formation and rupture of distinct substrate contact sites and were dependent on actin dynamics. Further, we show that the essential sporozoite surface protein TRAP is critical for the regulated formation and rupture of adhesion sites but is dispensable for retrograde capping.

Microendophenotypes of psychiatric disorders: phenotypes of psychiatric disorders at the level of molecular dynamics, synapses, neurons, and neural circuits.

PubMed

Kida, S; Kato, T

2015-01-01

Psychiatric disorders are caused not only by genetic factors but also by complicated factors such as environmental ones. Moreover, environmental factors are rarely quantitated as biological and biochemical indicators, making it extremely difficult to understand the pathological conditions of psychiatric disorders as well as their underlying pathogenic mechanisms. Additionally, we have actually no other option but to perform biological studies on postmortem human brains that display features of psychiatric disorders, thereby resulting in a lack of experimental materials to characterize the basic biology of these disorders. From these backgrounds, animal, tissue, or cell models that can be used in basic research are indispensable to understand biologically the pathogenic mechanisms of psychiatric disorders. In this review, we discuss the importance of microendophenotypes of psychiatric disorders, i.e., phenotypes at the level of molecular dynamics, neurons, synapses, and neural circuits, as targets of basic research on these disorders.

Controlled Shape Memory Behavior of a Smectic Main-Chain Liquid Crystalline Elastomer

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

Li, Yuzhan; Pruitt, Cole; Rios, Orlando

Here, we describe how a smectic main-chain liquid crystalline elastomer (LCE), with controlled shape memory behavior, is synthesized by polymerizing a biphenyl-based epoxy monomer with an aliphatic carboxylic acid curing agent. Microstructures of the LCEs, including their liquid crystallinity and cross-linking density, are modified by adjusting the stoichiometric ratio of the reactants to tailor the thermomechanical properties and shape memory behavior of the material. Thermal and liquid crystalline properties of the LCEs, characterized using differential scanning calorimetry and dynamic mechanical analysis, and structural analysis, performed using small-angle and wide-angle X-ray scattering, show that liquid crystallinity, cross-linking density, and network rigiditymore » are strongly affected by the stoichiometry of the curing reaction. With appropriate structural modifications it is possible to tune the thermal, dynamic mechanical, and thermomechanical properties as well as the shape memory and thermal degradation behavior of LCEs.« less

Global dynamics of selective attention and its lapses in primary auditory cortex.

PubMed

Lakatos, Peter; Barczak, Annamaria; Neymotin, Samuel A; McGinnis, Tammy; Ross, Deborah; Javitt, Daniel C; O'Connell, Monica Noelle

2016-12-01

Previous research demonstrated that while selectively attending to relevant aspects of the external world, the brain extracts pertinent information by aligning its neuronal oscillations to key time points of stimuli or their sampling by sensory organs. This alignment mechanism is termed oscillatory entrainment. We investigated the global, long-timescale dynamics of this mechanism in the primary auditory cortex of nonhuman primates, and hypothesized that lapses of entrainment would correspond to lapses of attention. By examining electrophysiological and behavioral measures, we observed that besides the lack of entrainment by external stimuli, attentional lapses were also characterized by high-amplitude alpha oscillations, with alpha frequency structuring of neuronal ensemble and single-unit operations. Entrainment and alpha-oscillation-dominated periods were strongly anticorrelated and fluctuated rhythmically at an ultra-slow rate. Our results indicate that these two distinct brain states represent externally versus internally oriented computational resources engaged by large-scale task-positive and task-negative functional networks.

Moyamoya disease-associated protein mysterin/RNF213 is a novel AAA+ ATPase, which dynamically changes its oligomeric state

PubMed Central

Morito, Daisuke; Nishikawa, Kouki; Hoseki, Jun; Kitamura, Akira; Kotani, Yuri; Kiso, Kazumi; Kinjo, Masataka; Fujiyoshi, Yoshinori; Nagata, Kazuhiro

2014-01-01

Moyamoya disease is an idiopathic human cerebrovascular disorder that is characterized by progressive stenosis and abnormal collateral vessels. We recently identified mysterin/RNF213 as its first susceptibility gene, which encodes a 591-kDa protein containing enzymatically active P-loop ATPase and ubiquitin ligase domains and is involved in proper vascular development in zebrafish. Here we demonstrate that mysterin further contains two tandem AAA+ ATPase modules and forms huge ring-shaped oligomeric complex. AAA+ ATPases are known to generally mediate various biophysical and mechanical processes with the characteristic ring-shaped structure. Fluorescence correlation spectroscopy and biochemical evaluation suggested that mysterin dynamically changes its oligomeric forms through ATP/ADP binding and hydrolysis cycles. Thus, the moyamoya disease-associated gene product is a unique protein that functions as ubiquitin ligase and AAA+ ATPase, which possibly contributes to vascular development through mechanical processes in the cell. PMID:24658080

Regulated expression of the lncRNA TERRA and its impact on telomere biology.

PubMed

Oliva-Rico, Diego; Herrera, Luis A

2017-10-01

The telomere protects against genomic instability by minimizing the accelerated end resection of the genetic material, a phenomenon that results in severe chromosome instability that could favor the transformation of a cell by enabling the emergence of tumor-promoting mutations. Some mechanisms that avoid this fate, such as capping and loop formation, have been very well characterized; however, telomeric non-coding transcripts, such as long non-coding RNAs (lncRNAs), should also be considered in this context because they play roles in the organization of telomere dynamics, involving processes such as replication, degradation, extension, and heterochromatin stabilization. Although the mechanism through which the expression of telomeric transcripts regulates telomere dynamics is not yet clear, a non-coding RNA component opens the research options in telomere biology and the impact that it can have on telomere-associated diseases such as cancer. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Fabrication and characterization of shape memory polymers at small-scales

NASA Astrophysics Data System (ADS)

Wornyo, Edem

The objective of this research is to thoroughly investigate the shape memory effect in polymers, characterize, and optimize these polymers for applications in information storage systems. Previous research effort in this field concentrated on shape memory metals for biomedical applications such as stents. Minimal work has been done on shape memory polymers; and the available work on shape memory polymers has not characterized the behaviors of this category of polymers fully. Copolymer shape memory materials based on diethylene glycol dimethacrylate (DEGDMA) crosslinker, and tert butyl acrylate (tBA) monomer are designed. The design encompasses a careful control of the backbone chemistry of the materials. Characterization methods such as dynamic mechanical analysis (DMA), differential scanning calorimetry (DSC); and novel nanoscale techniques such as atomic force microscopy (AFM), and nanoindentation are applied to this system of materials. Designed experiments are conducted on the materials to optimize spin coating conditions for thin films. Furthermore, the recovery, a key for the use of these polymeric materials for information storage, is examined in detail with respect to temperature. In sum, the overarching objectives of the proposed research are to: (i) Design shape memory polymers based on polyethylene glycol dimethacrylate (PEGDMA) and diethylene glycol dimethacrylate (DEGDMA) crosslinkers, 2-hydroxyethyl methacrylate (HEMA) and tert-butyl acrylate monomer (tBA). (ii) Utilize dynamic mechanical analysis (DMA) to comprehend the thermomechanical properties of shape memory polymers based on DEGDMA and tBA. (iii) Utilize nanoindentation and atomic force microscopy (AFM) to understand the nanoscale behavior of these SMPs, and explore the strain storage and recovery of the polymers from a deformed state. (iv) Study spin coating conditions on thin film quality with designed experiments. (iv) Apply neural networks and genetic algorithms to optimize these systems.

The dynamic Virtual Fields Method on rubbers at medium and high strain rates

NASA Astrophysics Data System (ADS)

Yoon, Sung-Ho; Siviour, Clive R.

2015-09-01

Elastomeric materials are widely used for energy absorption applications, often experiencing high strain rate deformations. The mechanical characterization of rubbers at high strain rates presents several experimental difficulties, especially associated with achieving adequate signal to noise ratio and static stress equilibrium, when using a conventional technique such as the split Hopkinson pressure bar. In the present study, these problems are avoided by using the dynamic Virtual Fields Method (VFM) in which acceleration fields, clearly generated by the non-equilibrium state, are utilized as a force measurement with in the frame work of the principle of virtual work equation. In this paper, two dynamic VFM based techniques are used to characterise an EPDM rubber. These are denoted as the linear and nonlinear VFM and are developed for (respectively) medium (drop-weight) and high (gas-gun) strain-rate experiments. The use of the two VFMs combined with high-speed imaging analysed by digital imaging correlation allows the identification of the parameters of a given rubber mechanical model; in this case the Ogden model is used.

Strain softening during tension in cold drawn Cu–Ag alloys

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

Chang, L.L., E-mail: lilichang@sdu.edu.cn; Wen, S.; Li, S.L.

2015-10-15

Experiments were conducted on Cu–0.1wt.%Ag alloys to evaluate the influence of producing procedures and annealing conditions on microstructure evolution and mechanical properties of Cu–Ag alloys. Optical microscopy (OM), electron back-scattered diffraction (EBSD), X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used for microstructural evaluation and mechanical properties were characterized by tensile tests. The results indicated that hot-extruded Cu–Ag alloys had a typical dynamic recrystallized microstructure with equiaxed grains. Cold drawing at room temperature leaded to partial recrystallized microstructure with a mixture of coarse and fine grains. The dominate {001}<100 > cubic texture formed during hot extrusion was changed tomore » be {112}<111 > copper texture by cold drawing. Strain softening occurred during room temperature tension of cold drawn Cu–Ag alloys with an average grain size of 13–19.7 μm. - Highlights: • Strain softening occurred during tension of Cu–Ag alloys with coarse grain size. • Work hardening was observed in hot-extruded and annealed Cu–0.1wt.%Ag alloys. • Strain softening was ascribed to dynamic recovery and dynamic recrystallization.« less

Influence of composition fluctuations on the linear viscoelastic properties of symmetric diblock copolymers near the order-disorder transition

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

Hickey, Robert J.; Gillard, Timothy M.; Lodge, Timothy P.

2015-08-28

Rheological evidence of composition fluctuations in disordered diblock copolymers near the order disorder transition (ODT) has been documented in the literature over the past three decades, characterized by a failure of time–temperature superposition (tTS) to reduce linear dynamic mechanical spectroscopy (DMS) data in the terminal viscoelastic regime to a temperature-independent form. However, for some materials, most notably poly(styrene-b-isoprene) (PS–PI), no signature of these rheological features has been found. We present small-angle X-ray scattering (SAXS) results on symmetric poly(cyclohexylethylene-b-ethylene) (PCHE–PE) diblock copolymers that confirm the presence of fluctuations in the disordered state and DMS measurements that also show no sign ofmore » the features ascribed to composition fluctuations. Assessment of DMS results published on five different diblock copolymer systems leads us to conclude that the effects of composition fluctuations can be masked by highly asymmetric block dynamics, thereby resolving a long-standing disagreement in the literature and reinforcing the importance of mechanical contrast in understanding the dynamics of ordered and disordered block polymers.« less

Dynamic Mechanical Characterization of Thin Film Polymer Nanocomposites

NASA Technical Reports Server (NTRS)

Herring, Helen M.; Gates, Thomas S. (Technical Monitor)

2003-01-01

Many new materials are being produced for aerospace applications with the objective of maximizing certain ideal properties without sacrificing others. Polymer composites in various forms and configurations are being developed in an effort to provide lighter weight construction and better thermal and electrical properties and still maintain adequate strength and stability. To this end, thin film polymer nanocomposites, synthesized for the purpose of influencing electrical conductivity using metal oxide particles as filler without incurring losses in mechanical properties, were examined to determine elastic modulus and degree of dispersion of particles. The effects of various metal oxides on these properties will be discussed.

Mechanics of Old Faithful Geyser, Calistoga, CA

USGS Publications Warehouse

Rudolph, M.L.; Manga, M.; Hurwitz, Shaul; Johnston, Malcolm J.; Karlstrom, L.; Wang, Chun-Yong

2012-01-01

In order to probe the subsurface dynamics associated with geyser eruptions, we measured ground deformation at Old Faithful Geyser of Calistoga, CA. We present a physical model in which recharge during the period preceding an eruption is driven by pressure differences relative to the aquifer supplying the geyser. The model predicts that pressure and ground deformation are characterized by an exponential function of time, consistent with our observations. The geyser's conduit is connected to a reservoir at a depth of at least 42 m, and pressure changes in the reservoir can produce the observed ground deformations through either a poroelastic or elastic mechanical model.

Mechanical and histological characterization of trachea tissue subjected to blast-type pressures

NASA Astrophysics Data System (ADS)

Butler, B. J.; Bo, C.; Tucker, A. W.; Jardine, A. P.; Proud, W. G.; Williams, A.; Brown, K. A.

2014-05-01

Injuries to the respiratory system can be a component of polytrauma in blast-loading injuries. Tissues located at air-liquid interfaces, including such tissues in the respiratory system, are particularly vulnerable to damage by blast overpressures. There is a lack of information about the mechanical and cellular responses that contribute to the damage of this class of tissues subjected to the high strain rates associated with blast loading. Here, we describe the results of dynamic blast-like pressure loading tests at high strain rates on freshly harvested ex vivo trachea tissue specimens.

Mechanics of Old Faithful Geyser, Calistoga, California

NASA Astrophysics Data System (ADS)

Rudolph, M. L.; Manga, M.; Hurwitz, S.; Johnston, M.; Karlstrom, L.; Wang, C.-Y.

2012-12-01

In order to probe the subsurface dynamics associated with geyser eruptions, we measured ground deformation at Old Faithful Geyser of Calistoga, CA. We present a physical model in which recharge during the period preceding an eruption is driven by pressure differences relative to the aquifer supplying the geyser. The model predicts that pressure and ground deformation are characterized by an exponential function of time, consistent with our observations. The geyser's conduit is connected to a reservoir at a depth of at least 42 m, and pressure changes in the reservoir can produce the observed ground deformations through either a poroelastic or elastic mechanical model.

Two-step crystal growth mechanism during crystallization of an undercooled Ni50Al50 alloy

NASA Astrophysics Data System (ADS)

An, Simin; Li, Jiahao; Li, Yang; Li, Shunning; Wang, Qi; Liu, Baixin

2016-08-01

Crystallization processes are always accompanied by the emergence of multiple intermediate states, of which the structures and transition dynamics are far from clarity, since it is difficult to experimentally observe the microscopic pathway. To insight the structural evolution and the crystallization dynamics, we perform large-scale molecular dynamics simulations to investigate the time-dependent crystallization behavior of the NiAl intermetallic upon rapid solidification. The simulation results reveal that the crystallization process occurs via a two-step growth mechanism, involving the formation of initial non-equilibrium long range order (NLRO) regions and of the subsequent equilibrium long range order (ELRO) regions. The formation of the NLRO regions makes the grains rather inhomogeneous, while the rearrangement of the NLRO regions into the ELRO regions makes the grains more ordered and compact. This two-step growth mechanism is actually controlled by the evolution of the coordination polyhedra, which are characterized predominantly by the transformation from five-fold symmetry to four-fold and six-fold symmetry. From liquids to NLRO and further to ELRO, the five-fold symmetry of these polyhedra gradually fades, and finally vanishes when B2 structure is distributed throughout the grain bulk. The energy decrease along the pathway further implies the reliability of the proposed crystallization processes.

Dynamic Changes in Amygdala Psychophysiological Connectivity Reveal Distinct Neural Networks for Facial Expressions of Basic Emotions.

PubMed

Diano, Matteo; Tamietto, Marco; Celeghin, Alessia; Weiskrantz, Lawrence; Tatu, Mona-Karina; Bagnis, Arianna; Duca, Sergio; Geminiani, Giuliano; Cauda, Franco; Costa, Tommaso

2017-03-27

The quest to characterize the neural signature distinctive of different basic emotions has recently come under renewed scrutiny. Here we investigated whether facial expressions of different basic emotions modulate the functional connectivity of the amygdala with the rest of the brain. To this end, we presented seventeen healthy participants (8 females) with facial expressions of anger, disgust, fear, happiness, sadness and emotional neutrality and analyzed amygdala's psychophysiological interaction (PPI). In fact, PPI can reveal how inter-regional amygdala communications change dynamically depending on perception of various emotional expressions to recruit different brain networks, compared to the functional interactions it entertains during perception of neutral expressions. We found that for each emotion the amygdala recruited a distinctive and spatially distributed set of structures to interact with. These changes in amygdala connectional patters characterize the dynamic signature prototypical of individual emotion processing, and seemingly represent a neural mechanism that serves to implement the distinctive influence that each emotion exerts on perceptual, cognitive, and motor responses. Besides these differences, all emotions enhanced amygdala functional integration with premotor cortices compared to neutral faces. The present findings thus concur to reconceptualise the structure-function relation between brain-emotion from the traditional one-to-one mapping toward a network-based and dynamic perspective.

High Dynamic Range Characterization of the Trauma Patient Plasma Proteome

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

Liu, Tao; Qian, Weijun; Gritsenko, Marina A.

2006-06-08

While human plasma represents an attractive sample for disease biomarker discovery, the extreme complexity and large dynamic range in protein concentrations present significant challenges for characterization, candidate biomarker discovery, and validation. Herein, we describe a strategy that combines immunoaffinity subtraction and chemical fractionation based on cysteinyl peptide and N-glycopeptide captures with 2D-LC-MS/MS to increase the dynamic range of analysis for plasma. Application of this ''divide-and-conquer'' strategy to trauma patient plasma significantly improved the overall dynamic range of detection and resulted in confident identification of 22,267 unique peptides from four different peptide populations (cysteinyl peptides, non-cysteinyl peptides, N-glycopeptides, and non-glycopeptides) thatmore » covered 3654 nonredundant proteins. Numerous low-abundance proteins were identified, exemplified by 78 ''classic'' cytokines and cytokine receptors and by 136 human cell differentiation molecules. Additionally, a total of 2910 different N-glycopeptides that correspond to 662 N-glycoproteins and 1553 N-glycosylation sites were identified. A panel of the proteins identified in this study is known to be involved in inflammation and immune responses. This study established an extensive reference protein database for trauma patients, which provides a foundation for future high-throughput quantitative plasma proteomic studies designed to elucidate the mechanisms that underlie systemic inflammatory responses.« less

A numerical and experimental study of temperature effects on deformation behavior of carbon steels at high strain rates

NASA Astrophysics Data System (ADS)

Pouya, M.; Winter, S.; Fritsch, S.; F-X Wagner, M.

2017-03-01

Both in research and in the light of industrial applications, there is a growing interest in methods to characterize the mechanical behavior of materials at high strain rates. This is particularly true for steels (the most important structural materials), where often the strain rate-dependent material behavior also needs to be characterized in a wide temperature range. In this study, we use the Finite Element Method (FEM), first, to model the compressive deformation behavior of carbon steels under quasi-static loading conditions. The results are then compared to experimental data (for a simple C75 steel) at room temperature, and up to testing temperatures of 1000 °C. Second, an explicit FEM model that captures wave propagation phenomena during dynamic loading is developed to closely reflect the complex loading conditions in a Split-Hopkinson Pressure Bar (SHPB) - an experimental setup that allows loading of compression samples with strain rates up to 104 s-1 The dynamic simulations provide a useful basis for an accurate analysis of dynamically measured experimental data, which considers reflected elastic waves. By combining numerical and experimental investigations, we derive material parameters that capture the strain rate- and temperature-dependent behavior of the C75 steel from room temperature to 1000 °C, and from quasi-static to dynamic loading.

Electronic Structure Theory Study of the Microsolvated F(-)(H2O) + CH3I SN2 Reaction.

PubMed

Zhang, Jiaxu; Yang, Li; Sheng, Li

2016-05-26

The potential energy profile of microhydrated fluorine ion reaction with methyl iodine has been characterized by extensive electronic structure calculations. Both hydrogen-bonded F(-)(H2O)---HCH2I and ion-dipole F(-)(H2O)---CH3I complexes are formed for the reaction entrance and the PES in vicinity of these complexes is very flat, which may have important implications for the reaction dynamics. The water molecule remains on the fluorine side until the reactive system goes to the SN2 saddle point. It can easily move to the iodine side with little barrier, but in a nonsynchronous reaction path after the dynamical bottleneck to the reaction, which supports the previous prediction for microsolvated SN2 systems. The influence of solvating water molecule on the reaction mechanism is probed by comparing with the influence of the nonsolvated analogue and other microsolvated SN2 systems. Taking the CCSD(T) single-point calculations based on MP2-optimized geometries as benchmark, the DFT functionals B97-1 and B3LYP are found to better characterize the potential energy profile for the title reaction and are recommended as the preferred methods for the direct dynamics simulations to uncover the dynamic behaviors.

Belowground Controls on the Dynamics of Plant Communities

NASA Astrophysics Data System (ADS)

Sivandran, G.

2013-12-01

Arid regions are characterized by high variability in the arrival of rainfall, and species found in these areas have adapted mechanisms to ensure the capture of this scarce resource. In particular, the rooting strategies employed by vegetation can be critical to their survival. These rooting strategies also dictate the competitive outcomes within plant communities. A dynamic rooting scheme was incorporated into tRIBS+VEGGIE (a physically-based, distributed ecohydrologic model). The dynamic rooting scheme allows vegetation the freedom to alter its rooting profile in response to changes in rainfall and soil conditions, in a way that more closely mimics observed phenotypic plasticity. A simple competition-colonization model was combined with the new dynamic root scheme to explore the role of root adaptability in plant competition and landscape evolution in semi-arid environments. The influence of model representation of rooting strategy on the long term plant community composition

Molecular modeling of the conformational dynamics of the cellular prion protein

NASA Astrophysics Data System (ADS)

Nguyen, Charles; Colling, Ian; Bartz, Jason; Soto, Patricia

2014-03-01

Prions are infectious agents responsible for transmissible spongiform encephalopathies (TSEs), a type of fatal neurodegenerative disease in mammals. Prions propagate biological information by conversion of the non-pathological version of the prion protein to the infectious conformation, PrPSc. A wealth of knowledge has shed light on the nature and mechanism of prion protein conversion. In spite of the significance of this problem, we are far from fully understanding the conformational dynamics of the cellular isoform. To remedy this situation we employ multiple biomolecular modeling techniques such as docking and molecular dynamics simulations to map the free energy landscape and determine what specific regions of the prion protein are most conductive to binding. The overall goal is to characterize the conformational dynamics of the cell form of the prion protein, PrPc, to gain insight into inhibition pathways against misfolding. NE EPSCoR FIRST Award to Patricia Soto.

TASI: A software tool for spatial-temporal quantification of tumor spheroid dynamics.

PubMed

Hou, Yue; Konen, Jessica; Brat, Daniel J; Marcus, Adam I; Cooper, Lee A D

2018-05-08

Spheroid cultures derived from explanted cancer specimens are an increasingly utilized resource for studying complex biological processes like tumor cell invasion and metastasis, representing an important bridge between the simplicity and practicality of 2-dimensional monolayer cultures and the complexity and realism of in vivo animal models. Temporal imaging of spheroids can capture the dynamics of cell behaviors and microenvironments, and when combined with quantitative image analysis methods, enables deep interrogation of biological mechanisms. This paper presents a comprehensive open-source software framework for Temporal Analysis of Spheroid Imaging (TASI) that allows investigators to objectively characterize spheroid growth and invasion dynamics. TASI performs spatiotemporal segmentation of spheroid cultures, extraction of features describing spheroid morpho-phenotypes, mathematical modeling of spheroid dynamics, and statistical comparisons of experimental conditions. We demonstrate the utility of this tool in an analysis of non-small cell lung cancer spheroids that exhibit variability in metastatic and proliferative behaviors.

Broadband optical switch based on liquid crystal dynamic scattering.

PubMed

Geis, M W; Bos, P J; Liberman, V; Rothschild, M

2016-06-27

This work demonstrates a novel broadband optical switch, based on dynamic-scattering effect in liquid crystals (LCs). Dynamic-scattering-mode technology was developed for display applications over four decades ago, but was displaced in favor of the twisted-nematic LCs. However, with the recent development of more stable LCs, dynamic scattering provides advantages over other technologies for optical switching. We demonstrate broadband polarization-insensitive attenuation of light directly passing thought the cell by 4 to 5 orders of magnitude at 633 nm. The attenuation is accomplished by light scattering to higher angles. Switching times of 150 μs to 10% transmission have been demonstrated. No degradation of devices is found after hundreds of switching cycles. The light-rejection mechanism is due to scattering, induced by disruption of LC director orientation with dopant ion motion with an applied electric field. Angular dependence of scattering is characterized as a function of bias voltage.

Construction and Characterization of a Novel Vocal Fold Bioreactor

PubMed Central

Zerdoum, Aidan B.; Tong, Zhixiang; Bachman, Brendan; Jia, Xinqiao

2014-01-01

In vitro engineering of mechanically active tissues requires the presentation of physiologically relevant mechanical conditions to cultured cells. To emulate the dynamic environment of vocal folds, a novel vocal fold bioreactor capable of producing vibratory stimulations at fundamental phonation frequencies is constructed and characterized. The device is composed of a function generator, a power amplifier, a speaker selector and parallel vibration chambers. Individual vibration chambers are created by sandwiching a custom-made silicone membrane between a pair of acrylic blocks. The silicone membrane not only serves as the bottom of the chamber but also provides a mechanism for securing the cell-laden scaffold. Vibration signals, generated by a speaker mounted underneath the bottom acrylic block, are transmitted to the membrane aerodynamically by the oscillating air. Eight identical vibration modules, fixed on two stationary metal bars, are housed in an anti-humidity chamber for long-term operation in a cell culture incubator. The vibration characteristics of the vocal fold bioreactor are analyzed non-destructively using a Laser Doppler Vibrometer (LDV). The utility of the dynamic culture device is demonstrated by culturing cellular constructs in the presence of 200-Hz sinusoidal vibrations with a mid-membrane displacement of 40 µm. Mesenchymal stem cells cultured in the bioreactor respond to the vibratory signals by altering the synthesis and degradation of vocal fold-relevant, extracellular matrix components. The novel bioreactor system presented herein offers an excellent in vitro platform for studying vibration-induced mechanotransduction and for the engineering of functional vocal fold tissues. PMID:25145349

Construction and characterization of a novel vocal fold bioreactor.

PubMed

Zerdoum, Aidan B; Tong, Zhixiang; Bachman, Brendan; Jia, Xinqiao

2014-08-01

In vitro engineering of mechanically active tissues requires the presentation of physiologically relevant mechanical conditions to cultured cells. To emulate the dynamic environment of vocal folds, a novel vocal fold bioreactor capable of producing vibratory stimulations at fundamental phonation frequencies is constructed and characterized. The device is composed of a function generator, a power amplifier, a speaker selector and parallel vibration chambers. Individual vibration chambers are created by sandwiching a custom-made silicone membrane between a pair of acrylic blocks. The silicone membrane not only serves as the bottom of the chamber but also provides a mechanism for securing the cell-laden scaffold. Vibration signals, generated by a speaker mounted underneath the bottom acrylic block, are transmitted to the membrane aerodynamically by the oscillating air. Eight identical vibration modules, fixed on two stationary metal bars, are housed in an anti-humidity chamber for long-term operation in a cell culture incubator. The vibration characteristics of the vocal fold bioreactor are analyzed non-destructively using a Laser Doppler Vibrometer (LDV). The utility of the dynamic culture device is demonstrated by culturing cellular constructs in the presence of 200-Hz sinusoidal vibrations with a mid-membrane displacement of 40 µm. Mesenchymal stem cells cultured in the bioreactor respond to the vibratory signals by altering the synthesis and degradation of vocal fold-relevant, extracellular matrix components. The novel bioreactor system presented herein offers an excellent in vitro platform for studying vibration-induced mechanotransduction and for the engineering of functional vocal fold tissues.

Wave Properties of a Methyl Group under Ambient Conditions

NASA Astrophysics Data System (ADS)

Bernatowicz, Piotr; Szymański, Sławomir

2002-06-01

Liquid-phase NMR studies on hindered rotation of methyl group in a 9-methyltriptycene derivative are reported where the standard, classical jump model of the methyl dynamics proves inadequate. On the other hand, accurate reproduction of the observed NMR line shape effects is afforded by the use of a recent quantum mechanical model in which the relevant methyl dynamics are described in terms of two quantum rate (coherence-damping) processes, characterized by two different rate constants. For ambient temperatures, such a direct evidence of the quantum nature of a rate process generally believed to be classical seems to have no precedence in the literature.

The deformable secondary mirror of VLT: final electro-mechanical and optical acceptance test results

NASA Astrophysics Data System (ADS)

Briguglio, Runa; Biasi, Roberto; Xompero, Marco; Riccardi, Armando; Andrighettoni, Mario; Pescoller, Dietrich; Angerer, Gerald; Gallieni, Daniele; Vernet, Elise; Kolb, Johann; Arsenault, Robin; Madec, Pierre-Yves

2014-07-01

The Deformable Secondary Mirror (DSM) for the VLT ended the stand-alone electro-mechanical and optical acceptance process, entering the test phase as part of the Adaptive Optics Facility (AOF) at the ESO Headquarter (Garching). The VLT-DSM currently represents the most advanced already-built large-format deformable mirror with its 1170 voice-coil actuators and its internal metrology based on co-located capacitive sensors to control the shape of the 1.12m-diameter 2mm-thick convex shell. The present paper reports the final results of the electro-mechanical and optical characterization of the DSM executed in a collaborative effort by the DSM manufacturing companies (Microgate s.r.l. and A.D.S. International s.r.l.), INAF-Osservatorio Astrofisico di Arcetri and ESO. The electro-mechanical acceptance tests have been performed in the company premises and their main purpose was the dynamical characterization of the internal control loop response and the calibration of the system data that are needed for its optimization. The optical acceptance tests have been performed at ESO (Garching) using the ASSIST optical test facility. The main purpose of the tests are the characterization of the optical shell flattening residuals, the corresponding calibration of flattening commands, the optical calibration of the capacitive sensors and the optical calibration of the mirror influence functions.

Neural Regulation of Cardiovascular Response to Exercise: Role of Central Command and Peripheral Afferents

PubMed Central

Nobrega, Antonio C. L.; O'Leary, Donal; Silva, Bruno Moreira; Piepoli, Massimo F.; Crisafulli, Antonio

2014-01-01

During dynamic exercise, mechanisms controlling the cardiovascular apparatus operate to provide adequate oxygen to fulfill metabolic demand of exercising muscles and to guarantee metabolic end-products washout. Moreover, arterial blood pressure is regulated to maintain adequate perfusion of the vital organs without excessive pressure variations. The autonomic nervous system adjustments are characterized by a parasympathetic withdrawal and a sympathetic activation. In this review, we briefly summarize neural reflexes operating during dynamic exercise. The main focus of the present review will be on the central command, the arterial baroreflex and chemoreflex, and the exercise pressure reflex. The regulation and integration of these reflexes operating during dynamic exercise and their possible role in the pathophysiology of some cardiovascular diseases are also discussed. PMID:24818143

Structural network heterogeneities and network dynamics: a possible dynamical mechanism for hippocampal memory reactivation.

NASA Astrophysics Data System (ADS)

Jablonski, Piotr; Poe, Gina; Zochowski, Michal

2007-03-01

The hippocampus has the capacity for reactivating recently acquired memories and it is hypothesized that one of the functions of sleep reactivation is the facilitation of consolidation of novel memory traces. The dynamic and network processes underlying such a reactivation remain, however, unknown. We show that such a reactivation characterized by local, self-sustained activity of a network region may be an inherent property of the recurrent excitatory-inhibitory network with a heterogeneous structure. The entry into the reactivation phase is mediated through a physiologically feasible regulation of global excitability and external input sources, while the reactivated component of the network is formed through induced network heterogeneities during learning. We show that structural changes needed for robust reactivation of a given network region are well within known physiological parameters.

Structural network heterogeneities and network dynamics: A possible dynamical mechanism for hippocampal memory reactivation

NASA Astrophysics Data System (ADS)

Jablonski, Piotr; Poe, Gina R.; Zochowski, Michal

2007-01-01

The hippocampus has the capacity for reactivating recently acquired memories and it is hypothesized that one of the functions of sleep reactivation is the facilitation of consolidation of novel memory traces. The dynamic and network processes underlying such a reactivation remain, however, unknown. We show that such a reactivation characterized by local, self-sustained activity of a network region may be an inherent property of the recurrent excitatory-inhibitory network with a heterogeneous structure. The entry into the reactivation phase is mediated through a physiologically feasible regulation of global excitability and external input sources, while the reactivated component of the network is formed through induced network heterogeneities during learning. We show that structural changes needed for robust reactivation of a given network region are well within known physiological parameters.

Dynamic tensile characterization of a 4330 steel with kolsky bar techniques.

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

Song, Bo; Antoun, Bonnie R.; Connelly, Kevin

2010-08-01

There has been increasing demand to understand the stress-strain response as well as damage and failure mechanisms of materials under impact loading condition. Dynamic tensile characterization has been an efficient approach to acquire satisfactory information of mechanical properties including damage and failure of the materials under investigation. However, in order to obtain valid experimental data, reliable tensile experimental techniques at high strain rates are required. This includes not only precise experimental apparatus but also reliable experimental procedures and comprehensive data interpretation. Kolsky bar, originally developed by Kolsky in 1949 [1] for high-rate compressive characterization of materials, has been extended formore » dynamic tensile testing since 1960 [2]. In comparison to Kolsky compression bar, the experimental design of Kolsky tension bar has been much more diversified, particularly in producing high speed tensile pulses in the bars. Moreover, instead of directly sandwiching the cylindrical specimen between the bars in Kolsky bar compression bar experiments, the specimen must be firmly attached to the bar ends in Kolsky tensile bar experiments. A common method is to thread a dumbbell specimen into the ends of the incident and transmission bars. The relatively complicated striking and specimen gripping systems in Kolsky tension bar techniques often lead to disturbance in stress wave propagation in the bars, requiring appropriate interpretation of experimental data. In this study, we employed a modified Kolsky tension bar, newly developed at Sandia National Laboratories, Livermore, CA, to explore the dynamic tensile response of a 4330-V steel. The design of the new Kolsky tension bar has been presented at 2010 SEM Annual Conference [3]. Figures 1 and 2 show the actual photograph and schematic of the Kolsky tension bar, respectively. As shown in Fig. 2, the gun barrel is directly connected to the incident bar with a coupler. The cylindrical striker set inside the gun barrel is launched to impact on the end cap that is threaded into the open end of the gun barrel, producing a tension on the gun barrel and the incident bar.« less

Dynamic tensile characterization of a 4330-V steel with kolsky bar techniques.

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

Song, Bo; Antoun, Bonnie R.; Connelly, Kevin

2010-09-01

There has been increasing demand to understand the stress-strain response as well as damage and failure mechanisms of materials under impact loading condition. Dynamic tensile characterization has been an efficient approach to acquire satisfactory information of mechanical properties including damage and failure of the materials under investigation. However, in order to obtain valid experimental data, reliable tensile experimental techniques at high strain rates are required. This includes not only precise experimental apparatus but also reliable experimental procedures and comprehensive data interpretation. Kolsky bar, originally developed by Kolsky in 1949 [1] for high-rate compressive characterization of materials, has been extended formore » dynamic tensile testing since 1960 [2]. In comparison to Kolsky compression bar, the experimental design of Kolsky tension bar has been much more diversified, particularly in producing high speed tensile pulses in the bars. Moreover, instead of directly sandwiching the cylindrical specimen between the bars in Kolsky bar compression bar experiments, the specimen must be firmly attached to the bar ends in Kolsky tensile bar experiments. A common method is to thread a dumbbell specimen into the ends of the incident and transmission bars. The relatively complicated striking and specimen gripping systems in Kolsky tension bar techniques often lead to disturbance in stress wave propagation in the bars, requiring appropriate interpretation of experimental data. In this study, we employed a modified Kolsky tension bar, newly developed at Sandia National Laboratories, Livermore, CA, to explore the dynamic tensile response of a 4330-V steel. The design of the new Kolsky tension bar has been presented at 2010 SEM Annual Conference [3]. Figures 1 and 2 show the actual photograph and schematic of the Kolsky tension bar, respectively. As shown in Fig. 2, the gun barrel is directly connected to the incident bar with a coupler. The cylindrical striker set inside the gun barrel is launched to impact on the end cap that is threaded into the open end of the gun barrel, producing a tension on the gun barrel and the incident bar.« less

Self-Supervised Dynamical Systems

NASA Technical Reports Server (NTRS)

Zak, Michail

2003-01-01

Some progress has been made in a continuing effort to develop mathematical models of the behaviors of multi-agent systems known in biology, economics, and sociology (e.g., systems ranging from single or a few biomolecules to many interacting higher organisms). Living systems can be characterized by nonlinear evolution of probability distributions over different possible choices of the next steps in their motions. One of the main challenges in mathematical modeling of living systems is to distinguish between random walks of purely physical origin (for instance, Brownian motions) and those of biological origin. Following a line of reasoning from prior research, it has been assumed, in the present development, that a biological random walk can be represented by a nonlinear mathematical model that represents coupled mental and motor dynamics incorporating the psychological concept of reflection or self-image. The nonlinear dynamics impart the lifelike ability to behave in ways and to exhibit patterns that depart from thermodynamic equilibrium. Reflection or self-image has traditionally been recognized as a basic element of intelligence. The nonlinear mathematical models of the present development are denoted self-supervised dynamical systems. They include (1) equations of classical dynamics, including random components caused by uncertainties in initial conditions and by Langevin forces, coupled with (2) the corresponding Liouville or Fokker-Planck equations that describe the evolutions of probability densities that represent the uncertainties. The coupling is effected by fictitious information-based forces, denoted supervising forces, composed of probability densities and functionals thereof. The equations of classical mechanics represent motor dynamics that is, dynamics in the traditional sense, signifying Newton s equations of motion. The evolution of the probability densities represents mental dynamics or self-image. Then the interaction between the physical and metal aspects of a monad is implemented by feedback from mental to motor dynamics, as represented by the aforementioned fictitious forces. This feedback is what makes the evolution of probability densities nonlinear. The deviation from linear evolution can be characterized, in a sense, as an expression of free will. It has been demonstrated that probability densities can approach prescribed attractors while exhibiting such patterns as shock waves, solitons, and chaos in probability space. The concept of self-supervised dynamical systems has been considered for application to diverse phenomena, including information-based neural networks, cooperation, competition, deception, games, and control of chaos. In addition, a formal similarity between the mathematical structures of self-supervised dynamical systems and of quantum-mechanical systems has been investigated.

Dynamic Response and Failure Mechanisms of Layered Ceramic-Elastomer-Polymer/Metal Composites

DTIC Science & Technology

2010-08-20

characterization of each material constituent of interest, i.e., polyurea and DH-36 steel, over broad ranges of deformation rates, strains, and temperature of...metal-metal, metal- polyurea -metal and polyurea -ceramic composites. New steel plate designs with different thicknesses were employed to avoid tearing...of the sample at its supporting ring. New experiments support the hypothesis that the steel- polyurea sandwich samples show a noticeably better

Molecular Mechanics and Dynamics Characterization of an "in silico" Mutated Protein: A Stand-Alone Lab Module or Support Activity for "in vivo" and "in vitro" Analyses of Targeted Proteins

ERIC Educational Resources Information Center

Chiang, Harry; Robinson, Lucy C.; Brame, Cynthia J.; Messina, Troy C.

2013-01-01

Over the past 20 years, the biological sciences have increasingly incorporated chemistry, physics, computer science, and mathematics to aid in the development and use of mathematical models. Such combined approaches have been used to address problems from protein structure-function relationships to the workings of complex biological systems.…

TARDEC Ground Vehicle Robotics: Vehicle Dynamic Characterization and Research

DTIC Science & Technology

2015-09-01

inferred roll angles that are found with the IMU . This is usually done with UNCLASSIFIED UNCLASSIFIED linear potentiometers, which have an electrical...wire electric, Electric traction control. Suspension Styles: Suspension is what keeps the vehicle off the ground and mechanically isolated from the...lot” maneuvers. Because of this, they roll with no slip angles. This means that the steering angles of the front wheels must be calibrated perfectly

Live dynamic analysis of mouse embryonic cardiogenesis with functional optical coherence tomography

NASA Astrophysics Data System (ADS)

Lopez, Andrew L.; Wang, Shang; Larina, Irina V.

2018-02-01

Hemodynamic load, contractile forces, and tissue elasticity are regulators of cardiac development and contribute to the mechanical homeostasis of the developing vertebrate heart. Congenital heart disease (CHD) is a prevalent condition in the United States that affects 8 in 1000 live births[1], and has been linked to disrupted cardiac biomechanics[2-4]. Therefore, it is important to understand how these forces integrate and regulate vertebrate cardiac development to inform clinical strategies to treat CHD early on by reintroducing proper mechanical load or modulating downstream factors that rely on mechanical signalling. Toward investigation of biomechanical regulation of mammalian cardiovascular dynamics and development, our methodology combines live mouse embryo culture protocols, state-of-the-art structural and functional Optical Coherence Tomography (OCT), second harmonic generation (SHG) microscopy, and computational analysis. Using these approaches, we assess functional aspects of the developing heart and characterize how they coincide with a determinant of tissue stiffness and main constituent of the extracellular matrix (ECM)—type I collagen. This work is bringing us closer to understanding how cardiac biomechanics change temporally and spatially during normal development, and how it regulates ECM to maintain mechanical homeostasis for proper function.

Endogenous molecular network reveals two mechanisms of heterogeneity within gastric cancer.

PubMed

Li, Site; Zhu, Xiaomei; Liu, Bingya; Wang, Gaowei; Ao, Ping

2015-05-30

Intratumor heterogeneity is a common phenomenon and impedes cancer therapy and research. Gastric cancer (GC) cells have generally been classified into two heterogeneous cellular phenotypes, the gastric and intestinal types, yet the mechanisms of maintaining two phenotypes and controlling phenotypic transition are largely unknown. A qualitative systematic framework, the endogenous molecular network hypothesis, has recently been proposed to understand cancer genesis and progression. Here, a minimal network corresponding to such framework was found for GC and was quantified via a stochastic nonlinear dynamical system. We then further extended the framework to address the important question of intratumor heterogeneity quantitatively. The working network characterized main known features of normal gastric epithelial and GC cell phenotypes. Our results demonstrated that four positive feedback loops in the network are critical for GC cell phenotypes. Moreover, two mechanisms that contribute to GC cell heterogeneity were identified: particular positive feedback loops are responsible for the maintenance of intestinal and gastric phenotypes; GC cell progression routes that were revealed by the dynamical behaviors of individual key components are heterogeneous. In this work, we constructed an endogenous molecular network of GC that can be expanded in the future and would broaden the known mechanisms of intratumor heterogeneity.

Endogenous molecular network reveals two mechanisms of heterogeneity within gastric cancer

PubMed Central

Li, Site; Zhu, Xiaomei; Liu, Bingya; Wang, Gaowei; Ao, Ping

2015-01-01

Intratumor heterogeneity is a common phenomenon and impedes cancer therapy and research. Gastric cancer (GC) cells have generally been classified into two heterogeneous cellular phenotypes, the gastric and intestinal types, yet the mechanisms of maintaining two phenotypes and controlling phenotypic transition are largely unknown. A qualitative systematic framework, the endogenous molecular network hypothesis, has recently been proposed to understand cancer genesis and progression. Here, a minimal network corresponding to such framework was found for GC and was quantified via a stochastic nonlinear dynamical system. We then further extended the framework to address the important question of intratumor heterogeneity quantitatively. The working network characterized main known features of normal gastric epithelial and GC cell phenotypes. Our results demonstrated that four positive feedback loops in the network are critical for GC cell phenotypes. Moreover, two mechanisms that contribute to GC cell heterogeneity were identified: particular positive feedback loops are responsible for the maintenance of intestinal and gastric phenotypes; GC cell progression routes that were revealed by the dynamical behaviors of individual key components are heterogeneous. In this work, we constructed an endogenous molecular network of GC that can be expanded in the future and would broaden the known mechanisms of intratumor heterogeneity. PMID:25962957

Selfish punishment with avoiding mechanism can alleviate both first-order and second-order social dilemma.

PubMed

Cui, Pengbi; Wu, Zhi-Xi

2014-11-21

Punishment, especially selfish punishment, has recently been identified as a potent promoter in sustaining or even enhancing the cooperation among unrelated individuals. However, without other key mechanisms, the first-order social dilemma and second-order social dilemma are still two enduring conundrums in biology and the social sciences even with the presence of punishment. In the present study, we investigate a spatial evolutionary four-strategy prisoner׳s dilemma game model with avoiding mechanism, where the four strategies are cooperation, defection, altruistic and selfish punishment. By introducing the low level of random mutation of strategies, we demonstrate that the presence of selfish punishment with avoiding mechanism can alleviate the two kinds of social dilemmas for various parametrizations. In addition, we propose an extended pair approximation method, whose solutions can essentially estimate the dynamical behaviors and final evolutionary frequencies of the four strategies. At last, considering the analogy between our model and the classical Lotka-Volterra system, we introduce interaction webs based on the spatial replicator dynamics and the transformed payoff matrix to qualitatively characterize the emergent co-exist strategy phases, and its validity are supported by extensive simulations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Criticality in the brain

NASA Astrophysics Data System (ADS)

de Arcangelis, L.; Lombardi, F.; Herrmann, H. J.

2014-03-01

Spontaneous brain activity has been recently characterized by avalanche dynamics with critical features for systems in vitro and in vivo. In this contribution we present a review of experimental results on neuronal avalanches in cortex slices, together with numerical results from a neuronal model implementing several physiological properties of living neurons. Numerical data reproduce experimental results for avalanche statistics. The temporal organization of avalanches can be characterized by the distribution of waiting times between successive avalanches. Experimental measurements exhibit a non-monotonic behaviour, not usually found in other natural processes. Numerical simulations provide evidence that this behaviour is a consequence of the alternation between states of high and low activity, leading to a balance between excitation and inhibition controlled by a single parameter. During these periods both the single neuron state and the network excitability level, keeping memory of past activity, are tuned by homoeostatic mechanisms. Interestingly, the same homoeostatic balance is detected for neuronal activity at the scale of the whole brain. We finally review the learning abilities of this neuronal network. Learning occurs via plastic adaptation of synaptic strengths by a non-uniform negative feedback mechanism. The system is able to learn all the tested rules and the learning dynamics exhibits universal features as a function of the strength of plastic adaptation. Any rule could be learned provided that the plastic adaptation is sufficiently slow.

Characterizing Suspension Plasma Spray Coating Formation Dynamics through Curvature Measurements

NASA Astrophysics Data System (ADS)

Chidambaram Seshadri, Ramachandran; Dwivedi, Gopal; Viswanathan, Vaishak; Sampath, Sanjay

2016-12-01

Suspension plasma spraying (SPS) enables the production of variety of microstructures with unique mechanical and thermal properties. In SPS, a liquid carrier (ethanol/water) is used to transport the sub-micrometric feedstock into the plasma jet. Considering complex deposition dynamics of SPS technique, there is a need to better understand the relationships among spray conditions, ensuing particle behavior, deposition stress evolution and resultant properties. In this study, submicron yttria-stabilized zirconia particles suspended in ethanol were sprayed using a cascaded arc plasma torch. The stresses generated during the deposition of the layers (termed evolving stress) were monitored via the change in curvature of the substrate measured using an in situ measurement apparatus. Depending on the deposition conditions, coating microstructures ranged from feathery porous to dense/cracked deposits. The evolving stresses and modulus were correlated with the observed microstructures and visualized via process maps. Post-deposition bi-layer curvature measurement via low temperature thermal cycling was carried out to quantify the thermo-elastic response of different coatings. Lastly, preliminary data on furnace cycle durability of different coating microstructures were evaluated. This integrated study involving in situ diagnostics and ex situ characterization along with process maps provides a framework to describe coating formation mechanisms, process parametrics and microstructure description.

Characterizing highly dynamic conformational states: The transcription bubble in RNAP-promoter open complex as an example

NASA Astrophysics Data System (ADS)

Lerner, Eitan; Ingargiola, Antonino; Weiss, Shimon

2018-03-01

Bio-macromolecules carry out complicated functions through structural changes. To understand their mechanism of action, the structure of each step has to be characterized. While classical structural biology techniques allow the characterization of a few "structural snapshots" along the enzymatic cycle (usually of stable conformations), they do not cover all (and often fast interconverting) structures in the ensemble, where each may play an important functional role. Recently, several groups have demonstrated that structures of different conformations in solution could be solved by measuring multiple distances between different pairs of residues using single-molecule Förster resonance energy transfer (smFRET) and using them as constrains for hybrid/integrative structural modeling. However, this approach is limited in cases where the conformational dynamics is faster than the technique's temporal resolution. In this study, we combine existing tools that elucidate sub-millisecond conformational dynamics together with hybrid/integrative structural modeling to study the conformational states of the transcription bubble in the bacterial RNA polymerase-promoter open complex (RPo). We measured microsecond alternating laser excitation-smFRET of differently labeled lacCONS promoter dsDNA constructs. We used a combination of burst variance analysis, photon-by-photon hidden Markov modeling, and the FRET-restrained positioning and screening approach to identify two conformational states for RPo. The experimentally derived distances of one conformational state match the known crystal structure of bacterial RPo. The experimentally derived distances of the other conformational state have characteristics of a scrunched RPo. These findings support the hypothesis that sub-millisecond dynamics in the transcription bubble are responsible for transcription start site selection.

Dynamics of cancerous tissue correlates with invasiveness

NASA Astrophysics Data System (ADS)

West, Ann-Katrine Vransø; Wullkopf, Lena; Christensen, Amalie; Leijnse, Natascha; Tarp, Jens Magelund; Mathiesen, Joachim; Erler, Janine Terra; Oddershede, Lene Broeng

2017-03-01

Two of the classical hallmarks of cancer are uncontrolled cell division and tissue invasion, which turn the disease into a systemic, life-threatening condition. Although both processes are studied, a clear correlation between cell division and motility of cancer cells has not been described previously. Here, we experimentally characterize the dynamics of invasive and non-invasive breast cancer tissues using human and murine model systems. The intrinsic tissue velocities, as well as the divergence and vorticity around a dividing cell correlate strongly with the invasive potential of the tissue, thus showing a distinct correlation between tissue dynamics and aggressiveness. We formulate a model which treats the tissue as a visco-elastic continuum. This model provides a valid reproduction of the cancerous tissue dynamics, thus, biological signaling is not needed to explain the observed tissue dynamics. The model returns the characteristic force exerted by an invading cell and reveals a strong correlation between force and invasiveness of breast cancer cells, thus pinpointing the importance of mechanics for cancer invasion.

Experimental Determination of Dynamical Lee-Yang Zeros

NASA Astrophysics Data System (ADS)

Brandner, Kay; Maisi, Ville F.; Pekola, Jukka P.; Garrahan, Juan P.; Flindt, Christian

2017-05-01

Statistical physics provides the concepts and methods to explain the phase behavior of interacting many-body systems. Investigations of Lee-Yang zeros—complex singularities of the free energy in systems of finite size—have led to a unified understanding of equilibrium phase transitions. The ideas of Lee and Yang, however, are not restricted to equilibrium phenomena. Recently, Lee-Yang zeros have been used to characterize nonequilibrium processes such as dynamical phase transitions in quantum systems after a quench or dynamic order-disorder transitions in glasses. Here, we experimentally realize a scheme for determining Lee-Yang zeros in such nonequilibrium settings. We extract the dynamical Lee-Yang zeros of a stochastic process involving Andreev tunneling between a normal-state island and two superconducting leads from measurements of the dynamical activity along a trajectory. From the short-time behavior of the Lee-Yang zeros, we predict the large-deviation statistics of the activity which is typically difficult to measure. Our method paves the way for further experiments on the statistical mechanics of many-body systems out of equilibrium.

Protocols for Molecular Dynamics Simulations of RNA Nanostructures.

PubMed

Kim, Taejin; Kasprzak, Wojciech K; Shapiro, Bruce A

2017-01-01

Molecular dynamics (MD) simulations have been used as one of the main research tools to study a wide range of biological systems and bridge the gap between X-ray crystallography or NMR structures and biological mechanism. In the field of RNA nanostructures, MD simulations have been used to fix steric clashes in computationally designed RNA nanostructures, characterize the dynamics, and investigate the interaction between RNA and other biomolecules such as delivery agents and membranes.In this chapter we present examples of computational protocols for molecular dynamics simulations in explicit and implicit solvent using the Amber Molecular Dynamics Package. We also show examples of post-simulation analysis steps and briefly mention selected tools beyond the Amber package. Limitations of the methods, tools, and protocols are also discussed. Most of the examples are illustrated for a small RNA duplex (helix), but the protocols are applicable to any nucleic acid structure, subject only to the computational speed and memory limitations of the hardware available to the user.

On Revenue-Optimal Dynamic Auctions for Bidders with Interdependent Values

NASA Astrophysics Data System (ADS)

Constantin, Florin; Parkes, David C.

In a dynamic market, being able to update one's value based on information available to other bidders currently in the market can be critical to having profitable transactions. This is nicely captured by the model of interdependent values (IDV): a bidder's value can explicitly depend on the private information of other bidders. In this paper we present preliminary results about the revenue properties of dynamic auctions for IDV bidders. We adopt a computational approach to design single-item revenue-optimal dynamic auctions with known arrivals and departures but (private) signals that arrive online. In leveraging a characterization of truthful auctions, we present a mixed-integer programming formulation of the design problem. Although a discretization is imposed on bidder signals the solution is a mechanism applicable to continuous signals. The formulation size grows exponentially in the dependence of bidders' values on other bidders' signals. We highlight general properties of revenue-optimal dynamic auctions in a simple parametrized example and study the sensitivity of prices and revenue to model parameters.

Multiparameter thermo-mechanical OCT-based characterization of laser-induced cornea reshaping

NASA Astrophysics Data System (ADS)

Zaitsev, Vladimir Yu.; Matveyev, Alexandr L.; Matveev, Lev A.; Gelikonov, Grigory V.; Vitkin, Alex; Omelchenko, Alexander I.; Baum, Olga I.; Shabanov, Dmitry V.; Sovetsky, Alexander A.; Sobol, Emil N.

2017-02-01

Phase-sensitive optical coherence tomography (OCT) is used for visualizing dynamic and cumulative strains and corneashape changes during laser-produced tissue heating. Such non-destructive (non-ablative) cornea reshaping can be used as a basis of emerging technologies of laser vision correction. In experiments with cartilaginous samples, polyacrilamide phantoms and excised rabbit eyes we demonstrate ability of the developed OCT system to simultaneously characterize transient and cumulated strain distributions, surface displacements, scattering tissue properties and possibility of temperature estimation via thermal-expansion measurements. The proposed approach can be implemented in perspective real-time OCT systems for ensuring safety of new methods of laser reshaping of cornea.

Molecular dynamics study of nano-porous materials—Enhancement of mobility of Li ions in lithium disilicate

NASA Astrophysics Data System (ADS)

Habasaki, Junko

2016-11-01

In several nano-porous materials and their composites, enhancement of ionic conductivity has been reported and several mechanisms having different origins have been proposed so far. In the present work, ionic motion of Li ions in porous lithium disilicates is examined by molecular dynamics simulation in the constant volume conditions and the enhancement of the dynamics is predicted. Structures and dynamics of ions in a nano-porous system were characterized and visualized to clarify the mechanism of the enhancement. The diffusion coefficient of Li ions has shown the maximum in the medium density (and porosity) region, and near the maximum, shortening of the nearly constant loss region in the mean squared displacement of ions as well as changes of the structures of the coordination polyhedra, LiOx is found. It suggests that the loosening of the cage, which increases the jump rate of ions, is an origin of the enhancement. When larger (but still in a nano-scale) voids are formed with a further decrease of density, more tight cages are reconstructed and the diffusion coefficient decreases again. These behaviors are closely related to the residual stress in the system. It is noteworthy that the explanation is not based on the percolation of the path only or formation of boundaries, although the former also affects the dynamics.

Characterization of Axial Inducer Cavitation Instabilities via High Speed Video Recordings

NASA Technical Reports Server (NTRS)

Arellano, Patrick; Peneda, Marinelle; Ferguson, Thomas; Zoladz, Thomas

2011-01-01

Sub-scale water tests were undertaken to assess the viability of utilizing high resolution, high frame-rate digital video recordings of a liquid rocket engine turbopump axial inducer to characterize cavitation instabilities. These high speed video (HSV) images of various cavitation phenomena, including higher order cavitation, rotating cavitation, alternating blade cavitation, and asymmetric cavitation, as well as non-cavitating flows for comparison, were recorded from various orientations through an acrylic tunnel using one and two cameras at digital recording rates ranging from 6,000 to 15,700 frames per second. The physical characteristics of these cavitation forms, including the mechanisms that define the cavitation frequency, were identified. Additionally, these images showed how the cavitation forms changed and transitioned from one type (tip vortex) to another (sheet cavitation) as the inducer boundary conditions (inlet pressures) were changed. Image processing techniques were developed which tracked the formation and collapse of cavitating fluid in a specified target area, both in the temporal and frequency domains, in order to characterize the cavitation instability frequency. The accuracy of the analysis techniques was found to be very dependent on target size for higher order cavitation, but much less so for the other phenomena. Tunnel-mounted piezoelectric, dynamic pressure transducers were present throughout these tests and were used as references in correlating the results obtained by image processing. Results showed good agreement between image processing and dynamic pressure spectral data. The test set-up, test program, and test results including H-Q and suction performance, dynamic environment and cavitation characterization, and image processing techniques and results will be discussed.

Determining the structure-mechanics relationships of dense microtubule networks with confocal microscopy and magnetic tweezers-based microrheology.

PubMed

Yang, Yali; Valentine, Megan T

2013-01-01

The microtubule (MT) cytoskeleton is essential in maintaining the shape, strength, and organization of cells. Its spatiotemporal organization is fundamental for numerous dynamic biological processes, and mechanical stress within the MT cytoskeleton provides an important signaling mechanism in mitosis and neural development. This raises important questions about the relationships between structure and mechanics in complex MT structures. In vitro, reconstituted cytoskeletal networks provide a minimal model of cell mechanics while also providing a testing ground for the fundamental polymer physics of stiff polymer gels. Here, we describe our development and implementation of a broad tool kit to study structure-mechanics relationships in reconstituted MT networks, including protocols for the assembly of entangled and cross-linked MT networks, fluorescence imaging, microstructure characterization, construction and calibration of magnetic tweezers devices, and mechanical data collection and analysis. In particular, we present the design and assembly of three neodymium iron boron (NdFeB)-based magnetic tweezers devices optimized for use with MT networks: (1) high-force magnetic tweezers devices that enable the application of nano-Newton forces and possible meso- to macroscale materials characterization; (2) ring-shaped NdFeB-based magnetic tweezers devices that enable oscillatory microrheology measurements; and (3) portable magnetic tweezers devices that enable direct visualization of microscale deformation in soft materials under applied force. Copyright © 2013 Elsevier Inc. All rights reserved.

A new approach in compatibilization of the poly(lactic acid)/thermoplastic starch (PLA/TPS) blends.

PubMed

Akrami, Marzieh; Ghasemi, Ismaeil; Azizi, Hamed; Karrabi, Mohammad; Seyedabadi, Mohammad

2016-06-25

In this study, a new compatibilizer was synthesized to improve the compatibility of the poly(lactic acid)/thermoplastic starch blends. The compatibilizer was based on maleic anhydride grafted polyethylene glycol grafted starch (mPEG-g-St), and was characterized using Fourier transform infrared spectroscopy (FTIR), dynamic mechanical thermal analysis (DMTA) and back titration techniques. The results indicated successful accomplishment of the designed reactions and formation of a starch cored structure with many connections to m-PEG chains. To assess the performance of synthesized compatibilizer, several PLA/TPS blends were prepared using an internal mixer. Consequently, their morphology, dynamic-mechanical behavior, crystallization and mechanical properties were studied. The compatibilizer enhanced interfacial adhesion, possibly due to interaction between free end carboxylic acid groups of compatibilizer and active groups of TPS and PLA phases. In addition, biodegradability of the samples was evaluated by various methods consisting of weight loss, FTIR-ATR analysis and morphology. The results revealed no considerable effect of compatibilizer on biodegradability of samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

Analytical ultrasonics for characterization of metallurgical microstructures and transformations

NASA Technical Reports Server (NTRS)

Rosen, M.

1986-01-01

The application of contact (piezoelectric) and noncontact (laser generation and detection) ultrasonic techniques for dynamic investigation of precipitation hardening processes in aluminum alloys, as well as crystallization and phase transformation in rapidly solidified amorphous and microcrystalline alloys is discussed. From the variations of the sound velocity and attenuation the precipitation mechanism and kinetics were determined. In addition, a correlation was established between the observed changes in the velocity and attenuation and the mechanical properties of age-hardenable aluminum alloys. The behavior of the elastic moduli, determined ultrasonically, were found to be sensitive to relaxation, crystallization and phase decomposition phenomena in rapidly solidified metallic glasses. Analytical ultrasonics enables determination of the activation energies and growth parameters of the reactions. Therefrom theoretical models can be constructed to explain the changes in mechanical and physical properties upon heat treatment of glassy alloys. The composition dependence of the elastic moduli in amorphous Cu-Zr alloys was found to be related to the glass transition temperature, and consequently to the glass forming ability of these alloys. Dynamic ultrasonic analysis was found to be feasible for on-line, real-time, monitoring of metallurgical processes.

Diffusion with finite-helicity field tensor: A mechanism of generating heterogeneity

NASA Astrophysics Data System (ADS)

Sato, N.; Yoshida, Z.

2018-02-01

Topological constraints on a dynamical system often manifest themselves as breaking of the Hamiltonian structure; well-known examples are nonholonomic constraints on Lagrangian mechanics. The statistical mechanics under such topological constraints is the subject of this study. Conventional arguments based on phase spaces, Jacobi identity, invariant measure, or the H theorem are no longer applicable since all these notions stem from the symplectic geometry underlying canonical Hamiltonian systems. Remembering that Hamiltonian systems are endowed with field tensors (canonical 2-forms) that have zero helicity, our mission is to extend the scope toward the class of systems governed by finite-helicity field tensors. Here, we introduce a class of field tensors that are characterized by Beltrami vectors. We prove an H theorem for this Beltrami class. The most general class of energy-conserving systems are non-Beltrami, for which we identify the "field charge" that prevents the entropy to maximize, resulting in creation of heterogeneous distributions. The essence of the theory can be delineated by classifying three-dimensional dynamics. We then generalize to arbitrary (finite) dimensions.

Investigation of Deformation Dynamics in a Wrought Magnesium Alloy

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

Wu, Wei; Qiao, Hua; An, Ke

2014-11-01

In the present research, the deformation dynamics and the effect of the deformation history on plastic deformation in a wrought magnesium alloy have been studied using real-time in-situ neutron diffraction measurements under a continuous loading condition and elastic-viscoplastic self-consistent (EVPSC) polycrystal modeling. The experimental results reveal that the pre-deformation delayed the activation of the tensile twinning during subsequent compression, mainly resulting from the residual strain. No apparent detwinning occurred during unloading and even in the elastic region during reverse loading. It is believed that the grain rotation played an important role in the elastic region during reverse loading. The EVPSCmore » model, which has been recently updated by implementing the twinning and detwinning model, was employed to characterize the deformation mechanism during the strain-path changes. The simulation result predicts well the experimental observation from the real-time in-situ neutron diffraction measurements. The present study provides a deep insight of the nature of deformation mechanisms in a hexagonal close-packed structured polycrystalline wrought magnesium alloy, which might lead to a new era of deformation-mechanism research.« less

Electron Transfer Mechanisms of DNA Repair by Photolyase

NASA Astrophysics Data System (ADS)

Zhong, Dongping

2015-04-01

Photolyase is a flavin photoenzyme that repairs two DNA base damage products induced by ultraviolet (UV) light: cyclobutane pyrimidine dimers and 6-4 photoproducts. With femtosecond spectroscopy and site-directed mutagenesis, investigators have recently made significant advances in our understanding of UV-damaged DNA repair, and the entire enzymatic dynamics can now be mapped out in real time. For dimer repair, six elementary steps have been characterized, including three electron transfer reactions and two bond-breaking processes, and their reaction times have been determined. A unique electron-tunneling pathway was identified, and the critical residues in modulating the repair function at the active site were determined. The dynamic synergy between the elementary reactions for maintaining high repair efficiency was elucidated, and the biological nature of the flavin active state was uncovered. For 6-4 photoproduct repair, a proton-coupled electron transfer repair mechanism has been revealed. The elucidation of electron transfer mechanisms and two repair photocycles is significant and provides a molecular basis for future practical applications, such as in rational drug design for curing skin cancer.

Imaging surface acoustic wave dynamics in semiconducting polymers by scanning ultrafast electron microscopy.

PubMed

Najafi, Ebrahim; Liao, Bolin; Scarborough, Timothy; Zewail, Ahmed

2018-01-01

Understanding the mechanical properties of organic semiconductors is essential to their electronic and photovoltaic applications. Despite a large volume of research directed toward elucidating the chemical, physical and electronic properties of these materials, little attention has been directed toward understanding their thermo-mechanical behavior. Here, we report the ultrafast imaging of surface acoustic waves (SAWs) on the surface of the Poly(3-hexylthiophene-2,5-diyl) (P3HT) thin film at the picosecond and nanosecond timescales. We then use these images to measure the propagation velocity of SAWs, which we then employ to determine the Young's modulus of P3HT. We further validate our experimental observation by performing a semi-empirical transient thermoelastic finite element analysis. Our findings demonstrate the potential of ultrafast electron microscopy to not only probe charge carrier dynamics in materials as previously reported, but also to measure their mechanical properties with great accuracy. This is particularly important when in situ characterization of stiffness for thin devices and nanomaterials is required. Copyright © 2017 Elsevier B.V. All rights reserved.

Ultrahigh phase-stable swept-source optical coherence tomography as a cardiac imaging platform (Conference Presentation)

NASA Astrophysics Data System (ADS)

Ling, Yuye; Hendon, Christine P.

2016-02-01

Functional extensions to optical coherence tomography (OCT) provide useful imaging contrasts that are complementary to conventional OCT. Our goal is to characterize tissue types within the myocardial due to remodeling and therapy. High-speed imaging is necessary to extract mechanical properties and dynamics of fiber orientation changes in a beating heart. Functional extensions of OCT such as polarization sensitive and optical coherence elastography (OCE) require high phase stability of the system, which is a drawback of current mechanically tuned swept source OCT systems. Here we present a high-speed functional imaging platform, which includes an ultrahigh-phase-stable swept source equipped with KTN deflector from NTT-AT. The swept source does not require mechanical movements during the wavelength sweeping; it is electrically tuned. The inter-sweep phase variance of the system was measured to be less than 300 ps at a path length difference of ~2 mm. The axial resolution of the system is 20 µm and the -10 dB fall-off depth is about 3.2 mm. The sample arm has an 8 mmx8 mm field of view with a lateral resolution of approximately 18 µm. The sample arm uses a two-axis MEMS mirror, which is programmable and capable of scanning arbitrary patterns at a sampling rate of 50 kHz. Preliminary imaging results showed differences in polarization properties and image penetration in ablated and normal myocardium. In the future, we will conduct dynamic stretching experiments with strips of human myocardial tissue to characterize mechanical properties using OCE. With high speed imaging of 200 kHz and an all-fiber design, we will work towards catheter-based functional imaging.

Effects of Different PER Translational Kinetics on the Dynamics of a Core Circadian Clock Model

PubMed Central

Nieto, Paula S.; Revelli, Jorge A.; Garbarino-Pico, Eduardo; Condat, Carlos A.; Guido, Mario E.; Tamarit, Francisco A.

2015-01-01

Living beings display self-sustained daily rhythms in multiple biological processes, which persist in the absence of external cues since they are generated by endogenous circadian clocks. The period (per) gene is a central player within the core molecular mechanism for keeping circadian time in most animals. Recently, the modulation PER translation has been reported, both in mammals and flies, suggesting that translational regulation of clock components is important for the proper clock gene expression and molecular clock performance. Because translational regulation ultimately implies changes in the kinetics of translation and, therefore, in the circadian clock dynamics, we sought to study how and to what extent the molecular clock dynamics is affected by the kinetics of PER translation. With this objective, we used a minimal mathematical model of the molecular circadian clock to qualitatively characterize the dynamical changes derived from kinetically different PER translational mechanisms. We found that the emergence of self-sustained oscillations with characteristic period, amplitude, and phase lag (time delays) between per mRNA and protein expression depends on the kinetic parameters related to PER translation. Interestingly, under certain conditions, a PER translation mechanism with saturable kinetics introduces longer time delays than a mechanism ruled by a first-order kinetics. In addition, the kinetic laws of PER translation significantly changed the sensitivity of our model to parameters related to the synthesis and degradation of per mRNA and PER degradation. Lastly, we found a set of parameters, with realistic values, for which our model reproduces some experimental results reported recently for Drosophila melanogaster and we present some predictions derived from our analysis. PMID:25607544

Effects of different per translational kinetics on the dynamics of a core circadian clock model.

PubMed

Nieto, Paula S; Revelli, Jorge A; Garbarino-Pico, Eduardo; Condat, Carlos A; Guido, Mario E; Tamarit, Francisco A

2015-01-01

Living beings display self-sustained daily rhythms in multiple biological processes, which persist in the absence of external cues since they are generated by endogenous circadian clocks. The period (per) gene is a central player within the core molecular mechanism for keeping circadian time in most animals. Recently, the modulation PER translation has been reported, both in mammals and flies, suggesting that translational regulation of clock components is important for the proper clock gene expression and molecular clock performance. Because translational regulation ultimately implies changes in the kinetics of translation and, therefore, in the circadian clock dynamics, we sought to study how and to what extent the molecular clock dynamics is affected by the kinetics of PER translation. With this objective, we used a minimal mathematical model of the molecular circadian clock to qualitatively characterize the dynamical changes derived from kinetically different PER translational mechanisms. We found that the emergence of self-sustained oscillations with characteristic period, amplitude, and phase lag (time delays) between per mRNA and protein expression depends on the kinetic parameters related to PER translation. Interestingly, under certain conditions, a PER translation mechanism with saturable kinetics introduces longer time delays than a mechanism ruled by a first-order kinetics. In addition, the kinetic laws of PER translation significantly changed the sensitivity of our model to parameters related to the synthesis and degradation of per mRNA and PER degradation. Lastly, we found a set of parameters, with realistic values, for which our model reproduces some experimental results reported recently for Drosophila melanogaster and we present some predictions derived from our analysis.

Development and characterization of thermal responsivehydrogel films for biomedical sensor application

NASA Astrophysics Data System (ADS)

López-Barriguete, Jesús Eduardo; Isoshima, Takashi; Bucio, Emilio

2018-04-01

Two flexible stimuli-responsive hydrogel films were elaborated as biomedical sensor application. The hydrogel systems were contained in glass moulds and synthesized using gamma radiation at a dose rate of 10.1 kGy h‑1, and absorbed dose of 50 kGy. The poly(NIPAAm) with a low critical solution temperature (LCST) close to the human body temperature, was employed as the principal component for the responsive materials. The addition of dimethyl acrylamide (DMAAm) for hydrophilic effect, methyl methacrylate (MMA) for mechanical property, and ethoxyethyl methacrylate (EEM) for mechanical property, modified the thermo dynamic transition point, obtaining viable responsive films with LCST of 36 °C and 39 °C. The samples were characterized by DSC to analyse the LCST, FT-IR to characterize the functional groups of the resulting films, AFM to examine the surface morphology, and swelling measurement to support the flexibility. Responsive ‘intelligent’ films with thermo sensitivity, biocompatibility, resistance, and conformableness are important to the development of flexible polymers for the application of biological sensor, smart membranes, or flexible electronics.

Preparation of Monodomain Liquid Crystal Elastomers and Liquid Crystal Elastomer Nanocomposites.

PubMed

Kim, Hojin; Zhu, Bohan; Chen, Huiying; Adetiba, Oluwatomiyin; Agrawal, Aditya; Ajayan, Pulickel; Jacot, Jeffrey G; Verduzco, Rafael

2016-02-06

LCEs are shape-responsive materials with fully reversible shape change and potential applications in medicine, tissue engineering, artificial muscles, and as soft robots. Here, we demonstrate the preparation of shape-responsive liquid crystal elastomers (LCEs) and LCE nanocomposites along with characterization of their shape-responsiveness, mechanical properties, and microstructure. Two types of LCEs - polysiloxane-based and epoxy-based - are synthesized, aligned, and characterized. Polysiloxane-based LCEs are prepared through two crosslinking steps, the second under an applied load, resulting in monodomain LCEs. Polysiloxane LCE nanocomposites are prepared through the addition of conductive carbon black nanoparticles, both throughout the bulk of the LCE and to the LCE surface. Epoxy-based LCEs are prepared through a reversible esterification reaction. Epoxy-based LCEs are aligned through the application of a uniaxial load at elevated (160 °C) temperatures. Aligned LCEs and LCE nanocomposites are characterized with respect to reversible strain, mechanical stiffness, and liquid crystal ordering using a combination of imaging, two-dimensional X-ray diffraction measurements, differential scanning calorimetry, and dynamic mechanical analysis. LCEs and LCE nanocomposites can be stimulated with heat and/or electrical potential to controllably generate strains in cell culture media, and we demonstrate the application of LCEs as shape-responsive substrates for cell culture using a custom-made apparatus.

Genome chaos: survival strategy during crisis.

PubMed

Liu, Guo; Stevens, Joshua B; Horne, Steven D; Abdallah, Batoul Y; Ye, Karen J; Bremer, Steven W; Ye, Christine J; Chen, David J; Heng, Henry H

2014-01-01

Genome chaos, a process of complex, rapid genome re-organization, results in the formation of chaotic genomes, which is followed by the potential to establish stable genomes. It was initially detected through cytogenetic analyses, and recently confirmed by whole-genome sequencing efforts which identified multiple subtypes including "chromothripsis", "chromoplexy", "chromoanasynthesis", and "chromoanagenesis". Although genome chaos occurs commonly in tumors, both the mechanism and detailed aspects of the process are unknown due to the inability of observing its evolution over time in clinical samples. Here, an experimental system to monitor the evolutionary process of genome chaos was developed to elucidate its mechanisms. Genome chaos occurs following exposure to chemotherapeutics with different mechanisms, which act collectively as stressors. Characterization of the karyotype and its dynamic changes prior to, during, and after induction of genome chaos demonstrates that chromosome fragmentation (C-Frag) occurs just prior to chaotic genome formation. Chaotic genomes seem to form by random rejoining of chromosomal fragments, in part through non-homologous end joining (NHEJ). Stress induced genome chaos results in increased karyotypic heterogeneity. Such increased evolutionary potential is demonstrated by the identification of increased transcriptome dynamics associated with high levels of karyotypic variance. In contrast to impacting on a limited number of cancer genes, re-organized genomes lead to new system dynamics essential for cancer evolution. Genome chaos acts as a mechanism of rapid, adaptive, genome-based evolution that plays an essential role in promoting rapid macroevolution of new genome-defined systems during crisis, which may explain some unwanted consequences of cancer treatment.

Characterization of vibration transfer paths in nose gearboxes of an AH-64 Apache

NASA Astrophysics Data System (ADS)

Islam, A. K. M. Anwarul; Dempsey, Paula J.; Feldman, Jason; Larsen, Chris

2014-03-01

Health monitoring of rotorcraft components, which is currently being performed by Health and Usage Monitoring Systems (HUMS) through analyzing vibration signatures of dynamic mechanical components, is very important for their safe and economic operation. Vibration diagnostic algorithms in HUMS analyze vibration signatures associated with faults and quantify them as condition indicators (CI) to predict component behavior. Vibration transfer paths (VTP) play important roles in CI response and are characterized by frequency response functions (FRF) derived from vibration signatures of dynamic mechanical components of a helicopter. With an objective to investigate the difference in VTP of a component in a helicopter and test stand, and to relate that to the CI response, VTP measurements were recorded from 0-50 kHz under similar conditions in the left and right nose gearboxes (NGBs) of an AH-64 Apache and an isolated left NGB in a test stand at NASA Glenn Research Center. The test fixture enabled the application of measured torques - common during an actual operation. Commercial and lab piezo shakers, and an impact hammer were used in both systems to collect the vibration response using two types of commercially available accelerometers under various test conditions. The FRFs of both systems were found to be consistent, and certain real-world installation and maintenance issues, such as sensor alignments, locations and installation torques, had minimal effect on the VTP. However, gear vibration transfer path dynamics appeared to be somewhat dependent on presence of oil, and the lightly-damped ring gear produced sharp and closer transfer path resonances.

Advancing Cell Biology Through Proteomics in Space and Time (PROSPECTS)*

PubMed Central

Lamond, Angus I.; Uhlen, Mathias; Horning, Stevan; Makarov, Alexander; Robinson, Carol V.; Serrano, Luis; Hartl, F. Ulrich; Baumeister, Wolfgang; Werenskiold, Anne Katrin; Andersen, Jens S.; Vorm, Ole; Linial, Michal; Aebersold, Ruedi; Mann, Matthias

2012-01-01

The term “proteomics” encompasses the large-scale detection and analysis of proteins and their post-translational modifications. Driven by major improvements in mass spectrometric instrumentation, methodology, and data analysis, the proteomics field has burgeoned in recent years. It now provides a range of sensitive and quantitative approaches for measuring protein structures and dynamics that promise to revolutionize our understanding of cell biology and molecular mechanisms in both human cells and model organisms. The Proteomics Specification in Time and Space (PROSPECTS) Network is a unique EU-funded project that brings together leading European research groups, spanning from instrumentation to biomedicine, in a collaborative five year initiative to develop new methods and applications for the functional analysis of cellular proteins. This special issue of Molecular and Cellular Proteomics presents 16 research papers reporting major recent progress by the PROSPECTS groups, including improvements to the resolution and sensitivity of the Orbitrap family of mass spectrometers, systematic detection of proteins using highly characterized antibody collections, and new methods for absolute as well as relative quantification of protein levels. Manuscripts in this issue exemplify approaches for performing quantitative measurements of cell proteomes and for studying their dynamic responses to perturbation, both during normal cellular responses and in disease mechanisms. Here we present a perspective on how the proteomics field is moving beyond simply identifying proteins with high sensitivity toward providing a powerful and versatile set of assay systems for characterizing proteome dynamics and thereby creating a new “third generation” proteomics strategy that offers an indispensible tool for cell biology and molecular medicine. PMID:22311636

Non-Brownian dynamics and strategy of amoeboid cell locomotion.

PubMed

Nishimura, Shin I; Ueda, Masahiro; Sasai, Masaki

2012-04-01

Amoeboid cells such as Dictyostelium discoideum and Madin-Darby canine kidney cells show the non-Brownian dynamics of migration characterized by the superdiffusive increase of mean-squared displacement. In order to elucidate the physical mechanism of this non-Brownian dynamics, a computational model is developed which highlights a group of inhibitory molecules for actin polymerization. Based on this model, we propose a hypothesis that inhibitory molecules are sent backward in the moving cell to accumulate at the rear of cell. The accumulated inhibitory molecules at the rear further promote cell locomotion to form a slow positive feedback loop of the whole-cell scale. The persistent straightforward migration is stabilized with this feedback mechanism, but the fluctuation in the distribution of inhibitory molecules and the cell shape deformation concurrently interrupt the persistent motion to turn the cell into a new direction. A sequence of switching behaviors between persistent motions and random turns gives rise to the superdiffusive migration in the absence of the external guidance signal. In the complex environment with obstacles, this combined process of persistent motions and random turns drives the simulated amoebae to solve the maze problem in a highly efficient way, which suggests the biological advantage for cells to bear the non-Brownian dynamics.

Microstructure and Mechanical Properties of Laser Solid Formed Ti-6Al-4V Alloy Under Dynamic Shear Loading

NASA Astrophysics Data System (ADS)

Zhou, Ping; Guo, Wei-Guo; Su, Yu; Wang, Jianjun; Lin, Xin; Huang, Weidong

2017-07-01

To investigate the mechanical properties of the Ti-6Al-4V alloy fabricated by laser solid forming technology, both static and dynamic shear tests were conducted on hat-shaped specimens by a servohydraulic testing machine and an enhanced split Hopkinson pressure bar system, over a temperature range of 173-573 K. The microstructure of both the original and deformed specimens was characterized by optical microscopy and scanning electron microscopy. The results show that: (1) the anisotropy of shear properties is not significant regardless of the visible stratification and the prior- β grains that grow epitaxially along the depositing direction; (2) the ultimate shear strength of this material is lower than that of those Ti-6Al-4V alloys fabricated by forging and extrusion; (3) the adiabatic shear bands of approximately 25.6-36.4 μm in width can develop at all selected temperatures during the dynamic shear deformation; and (4) the observed microstructure and measured microhardness indicate that the grains become refined in adiabatic shear band. Estimation of the temperature rise shows that the temperature in shear band exceeds the recrystallization temperature. The process of rotational dynamic recrystallization is considered to be the cause of the grain refinement in shear band.

Dynamical role of Ekman pumping in rapidly rotating convection

NASA Astrophysics Data System (ADS)

Stellmach, Stephan; Julien, Keith; Cheng, Jonathan; Aurnou, Jonathan

2015-04-01

The exact nature of the mechanical boundary conditions (i.e. no-slip versus stress-free) is usually considered to be of secondary importance in the rapidly rotating parameter regime characterizing planetary cores. While they have considerable influence for the Ekman numbers achievable in today's global simulations, for planetary values both the viscous Ekman layers and the associated secondary flows are generally expected to become negligibly small. In fact, usually the main purpose of using stress-free boundary conditions in numerical dynamo simulations is to suppress unrealistically large friction and pumping effects. In this study, we investigate the influence of the mechanical boundary conditions on core convection systematically. By restricting ourselves to the idealized case of rapidly rotating Rayleigh-Bénard convection, we are able to combine results from direct numerical simulations (DNS), laboratory experiments and asymptotic theory into a coherent picture. Contrary to the general expectation, we show that the dynamical effects of Ekman pumping increase with decreasing Ekman number over the investigated parameter range. While stress-free DNS results converge to the asymptotic predictions, both no-slip simulations and laboratory experiments consistently reveal increasingly large deviations from the existing asymptotic theory based on dynamically passive Ekman layers. The implications of these results for core dynamics are discussed briefly.

Dynamic recrystallization behavior of an as-cast TiAl alloy during hot compression

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

Li, Jianbo, E-mail: lijianbo1205@163.com; Liu, Yong, E-mail: yonliu@csu.edu.cn; Wang, Yan, E-mail: wangyan@csu.edu.cn

2014-11-15

High temperature compressive deformation behaviors of as-cast Ti–43Al–4Nb–1.4W–0.6B alloy were investigated at temperatures ranging from 1050 °C to 1200 °C, and strain rates from 0.001 s{sup −1} to 1 s{sup −1}. Electron back scattered diffraction technique, scanning electron microscopy and transmission electron microscopy were employed to investigate the microstructural evolutions and nucleation mechanisms of the dynamic recrystallization. The results indicated that the true stress–true strain curves show a dynamic flow softening behavior. The dependence of the peak stress on the deformation temperature and the strain rate can well be expressed by a hyperbolic-sine type equation. The activation energy decreases withmore » increasing the strain. The size of the dynamically recrystallized β grains decreases with increasing the value of the Zener–Hollomon parameter (Z). When the flow stress reaches a steady state, the size of β grains almost remains constant with increasing the deformation strain. The continuous dynamic recrystallization plays a dominant role in the deformation. In order to characterize the evolution of dynamic recrystallization volume fraction, the dynamic recrystallization kinetics was studied by Avrami-type equation. Besides, the role of β phase and the softening mechanism during the hot deformation was also discussed in details. - Highlights: • The size of DRXed β grains decreases with increasing the value of the Z. • The CDRX plays a dominant role in the deformation. • The broken TiB{sub 2} particles can promote the nucleation of DRX.« less

Characterization of fine abrasive particles for optical fabrication

NASA Astrophysics Data System (ADS)

Funkenbusch, Paul D.; Zhou, Y. Y.; Takahashi, Toshio; Quesnel, David J.; Lambropoulos, John C.

1995-08-01

Material removal during fine grinding operations is accomplished primarily by the action of individual abrasive particles on the glass surface. The mechanical properties of the abrasive are therefore important. Unfortunately it is difficult to directly measure the mechanical response of abrasives once they reach the scale of approximately 10 microns. As a result mechanical properties of fine abrasives are sometimes characterized in terms of an empirical `friability', based on the response of the abrasive to crushing by a metal ball in a vial. In this paper we report on modeling/experiments designed to more precisely quantify the mechanical properties of fine abrasives and ultimately to relate them to the conditions experienced by bound particles during grinding. Experiments have been performed on various types and sizes of diamond abrasives. The response of the particles is a strong function of the loading conditions and can be tracked by changing the testing parameters. Diamond size is also found to play a critical role, with finer diamonds less susceptible to fracture. A micromechanical model from the literature is employed estimate the forces likely to be seen during testing. We are also developing dynamic models to better predict the forces experienced during `friability' testing as a function of the testing parameters.

Time series modeling of live-cell shape dynamics for image-based phenotypic profiling.

PubMed

Gordonov, Simon; Hwang, Mun Kyung; Wells, Alan; Gertler, Frank B; Lauffenburger, Douglas A; Bathe, Mark

2016-01-01

Live-cell imaging can be used to capture spatio-temporal aspects of cellular responses that are not accessible to fixed-cell imaging. As the use of live-cell imaging continues to increase, new computational procedures are needed to characterize and classify the temporal dynamics of individual cells. For this purpose, here we present the general experimental-computational framework SAPHIRE (Stochastic Annotation of Phenotypic Individual-cell Responses) to characterize phenotypic cellular responses from time series imaging datasets. Hidden Markov modeling is used to infer and annotate morphological state and state-switching properties from image-derived cell shape measurements. Time series modeling is performed on each cell individually, making the approach broadly useful for analyzing asynchronous cell populations. Two-color fluorescent cells simultaneously expressing actin and nuclear reporters enabled us to profile temporal changes in cell shape following pharmacological inhibition of cytoskeleton-regulatory signaling pathways. Results are compared with existing approaches conventionally applied to fixed-cell imaging datasets, and indicate that time series modeling captures heterogeneous dynamic cellular responses that can improve drug classification and offer additional important insight into mechanisms of drug action. The software is available at http://saphire-hcs.org.

Cell death and renewal during prey capture and digestion in the carnivorous sponge Asbestopluma hypogea (Porifera: Poecilosclerida).

PubMed

Martinand-Mari, Camille; Vacelet, Jean; Nickel, Michael; Wörheide, Gert; Mangeat, Paul; Baghdiguian, Stephen

2012-11-15

The sponge Asbestopluma hypogea is unusual among sponges due to its peculiar carnivorous feeding habit. During various stages of its nutrition cycle, the sponge is subjected to spectacular morphological modifications. Starved animals are characterized by many elongated filaments, which are crucial for the capture of prey. After capture, and during the digestion process, these filaments actively regress before being regenerated during a subsequent period of starvation. Here, we demonstrate that these morphological events rely on a highly dynamic cellular turnover, implying a coordinated sequence of programmed cell death (apoptosis and autophagy), cell proliferation and cell migration. A candidate niche for cell renewal by stem cell proliferation and differentiation was identified at the base of the sponge peduncle, characterized by higher levels of BrdU/EdU incorporation. Therefore, BrdU/EdU-positive cells of the peduncle base are candidate motile cells responsible for the regeneration of the prey-capturing main sponge body, i.e. the dynamic filaments. Altogether, our results demonstrate that dynamics of cell renewal in sponge appear to be regulated by cellular mechanisms as multiple and complex as those already identified in bilaterian metazoans.

Analysis of discrete and continuous distributions of ventilatory time constants from dynamic computed tomography

NASA Astrophysics Data System (ADS)

Doebrich, Marcus; Markstaller, Klaus; Karmrodt, Jens; Kauczor, Hans-Ulrich; Eberle, Balthasar; Weiler, Norbert; Thelen, Manfred; Schreiber, Wolfgang G.

2005-04-01

In this study, an algorithm was developed to measure the distribution of pulmonary time constants (TCs) from dynamic computed tomography (CT) data sets during a sudden airway pressure step up. Simulations with synthetic data were performed to test the methodology as well as the influence of experimental noise. Furthermore the algorithm was applied to in vivo data. In five pigs sudden changes in airway pressure were imposed during dynamic CT acquisition in healthy lungs and in a saline lavage ARDS model. The fractional gas content in the imaged slice (FGC) was calculated by density measurements for each CT image. Temporal variations of the FGC were analysed assuming a model with a continuous distribution of exponentially decaying time constants. The simulations proved the feasibility of the method. The influence of experimental noise could be well evaluated. Analysis of the in vivo data showed that in healthy lungs ventilation processes can be more likely characterized by discrete TCs whereas in ARDS lungs continuous distributions of TCs are observed. The temporal behaviour of lung inflation and deflation can be characterized objectively using the described new methodology. This study indicates that continuous distributions of TCs reflect lung ventilation mechanics more accurately compared to discrete TCs.

Gas Generation of Heated PBX 9502

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

Holmes, Matthew David; Parker, Gary Robert

2016-10-07

Uniaxially pressed samples of PBX 9502 were heated until self-ignition (cookoff) in order to collect pressure and temperature data relevant for model development. Samples were sealed inside a small gas-tight vessel, but were mechanically unconfined. Long-duration static pressure rise, as well as dynamic pressure rise during the cookoff event, were recorded. Time-lapse photography of the sample was used to measure the thermal expansion of the sample as a function of time and temperature. High-speed videography qualitatively characterized the mechanical behavior and failure mechanisms at the time of cookoff. These results provide valuable input to modeling efforts, in order to improvemore » the ability to predict pressure output during cookoff as well as the effect of pressure on time-toignition.« less

Characterization of thermoplastic polyurethane/polylactic acid (TPU/PLA) tissue engineering scaffolds fabricated by microcellular injection molding.

PubMed

Mi, Hao-Yang; Salick, Max R; Jing, Xin; Jacques, Brianna R; Crone, Wendy C; Peng, Xiang-Fang; Turng, Lih-Sheng

2013-12-01

Polylactic acid (PLA) and thermoplastic polyurethane (TPU) are two kinds of biocompatible and biodegradable polymers that can be used in biomedical applications. PLA has rigid mechanical properties while TPU possesses flexible mechanical properties. Blended TPU/PLA tissue engineering scaffolds at different ratios for tunable properties were fabricated via twin screw extrusion and microcellular injection molding techniques for the first time. Multiple test methods were used to characterize these materials. Fourier transform infrared spectroscopy (FTIR) confirmed the existence of the two components in the blends; differential scanning calorimetry (DSC) and dynamic mechanical analysis (DMA) confirmed the immiscibility between the TPU and PLA. Scanning electron microscopy (SEM) images verified that, at the composition ratios studied, PLA was dispersed as spheres or islands inside the TPU matrix and that this phase morphology further influenced the scaffold's microstructure and surface roughness. The blends exhibited a large range of mechanical properties that covered several human tissue requirements. 3T3 fibroblast cell culture showed that the scaffolds supported cell proliferation and migration properly. Most importantly, this study demonstrated the feasibility of mass producing biocompatible PLA/TPU scaffolds with tunable microstructures, surface roughnesses, and mechanical properties that have the potential to be used as artificial scaffolds in multiple tissue engineering applications. © 2013.

Characterization of thermoplastic polyurethane/polylactic acid (TPU/PLA) tissue engineering scaffolds fabricated by microcellular injection molding

PubMed Central

Mi, Hao-Yang; Salick, Max R.; Jing, Xin; Jacques, Brianna R.; Crone, Wendy C.; Peng, Xiang-Fang; Turng, Lih-Sheng

2015-01-01

Polylactic acid (PLA) and thermoplastic polyurethane (TPU) are two kinds of biocompatible and biodegradable polymers that can be used in biomedical applications. PLA has rigid mechanical properties while TPU possesses flexible mechanical properties. Blended TPU/PLA tissue engineering scaffolds at different ratios for tunable properties were fabricated via twin screw extrusion and microcellular injection molding techniques for the first time. Multiple test methods were used to characterize these materials. Fourier transform infrared spectroscopy (FTIR) confirmed the existence of the two components in the blends; differential scanning calorimetry (DSC) and dynamic mechanical analysis (DMA) confirmed the immiscibility between the TPU and PLA. Scanning electron microscopy (SEM) images verified that, at the composition ratios studied, PLA was dispersed as spheres or islands inside the TPU matrix and that this phase morphology further influenced the scaffold’s microstructure and surface roughness. The blends exhibited a large range of mechanical properties that covered several human tissue requirements. 3T3 fibroblast cell culture showed that the scaffolds supported cell proliferation and migration properly. Most importantly, this study demonstrated the feasibility of mass producing biocompatible PLA/TPU scaffolds with tunable microstructures, surface roughnesses, and mechanical properties that have the potential to be used as artificial scaffolds in multiple tissue engineering applications. PMID:24094186

Micromachined optical microphone structures with low thermal-mechanical noise levels.

PubMed

Hall, Neal A; Okandan, Murat; Littrell, Robert; Bicen, Baris; Degertekin, F Levent

2007-10-01

Micromachined microphones with diffraction-based optical displacement detection have been introduced previously [Hall et al., J. Acoust. Soc. Am. 118, 3000-3009 (2005)]. The approach has the advantage of providing high displacement detection resolution of the microphone diaphragm independent of device size and capacitance-creating an unconstrained design space for the mechanical structure itself. Micromachined microphone structures with 1.5-mm-diam polysilicon diaphragms and monolithically integrated diffraction grating electrodes are presented in this work with backplate architectures that deviate substantially from traditional perforated plate designs. These structures have been designed for broadband frequency response and low thermal mechanical noise levels. Rigorous experimental characterization indicates a diaphragm displacement detection resolution of 20 fm radicalHz and a thermal mechanical induced diaphragm displacement noise density of 60 fm radicalHz, corresponding to an A-weighted sound pressure level detection limit of 24 dB(A) for these structures. Measured thermal mechanical displacement noise spectra are in excellent agreement with simulations based on system parameters derived from dynamic frequency response characterization measurements, which show a diaphragm resonance limited bandwidth of approximately 20 kHz. These designs are substantial improvements over initial prototypes presented previously. The high performance-to-size ratio achievable with this technology is expected to have an impact on a variety of instrumentation and hearing applications.

Experimental characterization and macro-modeling of mechanical strength of multi-sheets and multi-materials spot welds under pure and mixed modes I and II

NASA Astrophysics Data System (ADS)

Chtourou, Rim; Haugou, Gregory; Leconte, Nicolas; Zouari, Bassem; Chaari, Fahmi; Markiewicz, Eric

2015-09-01

Resistance Spot Welding (RSW) of multiple sheets with multiple materials are increasingly realized in the automotive industry. The mechanical strength of such new generation of spot welded assemblies is not that much dealt with. This is true in particular for experiments dedicated to investigate the mechanical strength of spot weld made by multi sheets of different grades, and their macro modeling in structural computations. Indeed, the most published studies are limited to two sheet assemblies. Therefore, in the first part of this work an advanced experimental set-up with a reduced mass is proposed to characterize the quasi-static and dynamic mechanical behavior and rupture of spot weld made by several sheets of different grades. The proposed device is based on Arcan test, the plates contribution in the global response is, thus, reduced. Loading modes I/II are, therefore, combined and well controlled. In the second part a simplified spot weld connector element (macroscopic modeling) is proposed to describe the nonlinear response and rupture of this new generation of spot welded assemblies. The weld connector model involves several parameters to be set. The remaining parameters are finally identified through a reverse engineering approach using mechanical responses of experimental tests presented in the first part of this work.

Bioinspired model of mechanical energy harvesting based on flexoelectric membranes.

PubMed

Rey, Alejandro D; Servio, P; Herrera-Valencia, E E

2013-02-01

Membrane flexoelectricity is an electromechanical coupling process that describes membrane electrical polarization due to bending and membrane bending under electric fields. In this paper we propose, formulate, and characterize a mechanical energy harvesting system consisting of a deformable soft flexoelectric thin membrane subjected to harmonic forcing from contacting bulk fluids. The key elements of the energy harvester are formulated and characterized, including (i) the mechanical-to-electrical energy conversion efficiency, (ii) the electromechanical shape equation connecting fluid forces with membrane curvature and electric displacement, and (iii) the electric power generation and efficiency. The energy conversion efficiency is cast as the ratio of flexoelectric coupling to the product of electric and bending elasticity. The device is described by a second-order curvature dynamics coupled to the electric displacement equation and as such results in mechanical power absorption with a resonant peak whose amplitude decreases with bending viscosity. The electric power generation is proportional to the conversion factor and the power efficiency decreases with frequency. Under high bending viscosity, the power efficiency increases with the conversion factor and under low viscosities it decreases with the conversion factor. The theoretical results presented contribute to the ongoing experimental efforts to develop mechanical energy harvesting from fluid flow energy through solid-fluid interactions and electromechanical transduction.

Efficient Pb(II) removal using sodium alginate-carboxymethyl cellulose gel beads: Preparation, characterization, and adsorption mechanism.

PubMed

Ren, Huixue; Gao, Zhimin; Wu, Daoji; Jiang, Jiahui; Sun, Youmin; Luo, Congwei

2016-02-10

Alginate-carboxymethyl cellulose (CMC) gel beads were prepared in this study using sodium alginate (SA) and sodium CMC through blending and cross-linking. The specific surface area and aperture of the prepared SA-CMC gel beads were tested. The SA-CMC structure was characterized and analyzed via infrared spectroscopy, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. Static adsorption experiment demonstrated that Pb(II) adsorption of SA-CMC exceeded 99% under the optimized conditions. In addition, experiments conducted under the same experimental conditions showed that the lead ion removal efficiency of SA-CMC was significantly higher than that of conventional adsorbents. The Pb(II) adsorption process of SA-CMC followed the Langmuir adsorption isotherm, and the dynamic adsorption model could be described through a pseudo-second-order rate equation. Pb(II) removal mechanisms of SA-CMC, including physical, chemical, and electrostatic adsorptions, were discussed based on microstructure analysis and adsorption kinetics. Chemical adsorption was the main adsorption method among these mechanisms. Copyright © 2015 Elsevier Ltd. All rights reserved.

Characterization and modeling of mechanical behavior of single crystal titanium deformed by split-Hopkinson pressure bar

DOE PAGES

Morrow, B. M.; Lebensohn, R. A.; Trujillo, C. P.; ...

2016-03-28

Single crystal titanium samples were dynamically loaded using split-Hopkinson pressure bar (SHPB) and the resulting microstructures were examined. Characterization of the twins and dislocations present in the microstructure was conducted to understand the pathway for observed mechanical behavior. Electron backscatter diffraction (EBSD) was used to measure textures and quantify twinning. Microstructures were profusely twinned after loading, and twin variants and corresponding textures were different as a function of initial orientation. Focused ion beam (FIB) foils were created to analyze dislocation content using transmission electron microscopy (TEM). Large amounts of dislocations were present, indicating that plasticity was achieved through slip andmore » twinning together. Viscoplastic self-consistent (VPSC) modeling was used to confirm the complex order of operations during deformation. The activation of different mechanisms was highly dependent upon crystal orientation. For [0001] and View the MathML source[101¯1]-oriented crystals, compressive twinning was observed, followed by secondary tensile twinning. Furthermore, dislocations though prevalent in the microstructure, contributed to final texture far less than twinning.« less

Mechanical responses of a-axis GaN nanowires under axial loads

NASA Astrophysics Data System (ADS)

Wang, R. J.; Wang, C. Y.; Feng, Y. T.; Tang, Chun

2018-03-01

Gallium nitride (GaN) nanowires (NWs) hold technological significance as functional components in emergent nano-piezotronics. However, the examination of their mechanical responses, especially the mechanistic understanding of behavior beyond elasticity (at failure) remains limited due to the constraints of in situ experimentation. We therefore performed simulations of the molecular dynamics (MD) of the mechanical behavior of [1\\bar{2}10]-oriented GaN NWs subjected to tension or compression loading until failure. The mechanical properties and critical deformation processes are characterized in relation to NW sizes and loading conditions. Detailed examinations revealed that the failure mechanisms are size-dependent and controlled by the dislocation mobility on shuffle-set pyramidal planes. The size dependence of the elastic behavior is also examined in terms of the surface structure determined modification of Young’s modulus. In addition, a comparison with c-axis NWs is made to show how size-effect trends vary with the growth orientation of NWs.

Tissue-level Mechanical Properties of Bone Contributing to Fracture Risk

PubMed Central

Nyman, Jeffry S.; Granke, Mathilde; Singleton, Robert C.; Pharr, George M.

2016-01-01

Tissue-level mechanical properties characterize mechanical behavior independently of microscopic porosity. Specifically, quasi-static nanoindentation provides measurements of modulus (stiffness) and hardness (resistance to yielding) of tissue at the length scale of the lamella, while dynamic nanoindentation assesses time-dependent behavior in the form of storage modulus (stiffness), loss modulus (dampening), and loss factor (ratio of the two). While these properties are useful in establishing how a gene, signaling pathway, or disease of interest affects bone tissue, they generally do not vary with aging after skeletal maturation or with osteoporosis. Heterogeneity in tissue-level mechanical properties or in compositional properties may contribute to fracture risk, but a consensus on whether the contribution is negative or positive has not emerged. In vivo indentation of bone tissue is now possible, and the mechanical resistance to microindentation has the potential for improving fracture risk assessment, though determinants are currently unknown. PMID:27263108

Tissue-Level Mechanical Properties of Bone Contributing to Fracture Risk.

PubMed

Nyman, Jeffry S; Granke, Mathilde; Singleton, Robert C; Pharr, George M

2016-08-01

Tissue-level mechanical properties characterize mechanical behavior independently of microscopic porosity. Specifically, quasi-static nanoindentation provides measurements of modulus (stiffness) and hardness (resistance to yielding) of tissue at the length scale of the lamella, while dynamic nanoindentation assesses time-dependent behavior in the form of storage modulus (stiffness), loss modulus (dampening), and loss factor (ratio of the two). While these properties are useful in establishing how a gene, signaling pathway, or disease of interest affects bone tissue, they generally do not vary with aging after skeletal maturation or with osteoporosis. Heterogeneity in tissue-level mechanical properties or in compositional properties may contribute to fracture risk, but a consensus on whether the contribution is negative or positive has not emerged. In vivo indentation of bone tissue is now possible, and the mechanical resistance to microindentation has the potential for improving fracture risk assessment, though determinants are currently unknown.

Development of compositional and contextual communicable congruence in robots by using dynamic neural network models.

PubMed

Park, Gibeom; Tani, Jun

2015-12-01

The current study presents neurorobotics experiments on acquisition of skills for "communicable congruence" with human via learning. A dynamic neural network model which is characterized by its multiple timescale dynamics property was utilized as a neuromorphic model for controlling a humanoid robot. In the experimental task, the humanoid robot was trained to generate specific sequential movement patterns as responding to various sequences of imperative gesture patterns demonstrated by the human subjects by following predefined compositional semantic rules. The experimental results showed that (1) the adopted MTRNN can achieve generalization by learning in the lower feature perception level by using a limited set of tutoring patterns, (2) the MTRNN can learn to extract compositional semantic rules with generalization in its higher level characterized by slow timescale dynamics, (3) the MTRNN can develop another type of cognitive capability for controlling the internal contextual processes as situated to on-going task sequences without being provided with cues for explicitly indicating task segmentation points. The analysis on the dynamic property developed in the MTRNN via learning indicated that the aforementioned cognitive mechanisms were achieved by self-organization of adequate functional hierarchy by utilizing the constraint of the multiple timescale property and the topological connectivity imposed on the network configuration. These results of the current research could contribute to developments of socially intelligent robots endowed with cognitive communicative competency similar to that of human. Copyright © 2015 Elsevier Ltd. All rights reserved.

Probing coal architecture by magnetic resonance microscopy.

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

Botto, R. E.; Clifford, D. J.; Gregory, D. M.

1999-02-24

Time-resolved MRM investigations of a well-characterized suite of cross-linked polymers have yielded information on the nature of the solvent transport dynamics and mechanical relaxation of the networks. Network response parameters were then used to assess the macroscopic properties and cross-link densities of polymers with the degree of curing. This new approach is presently being developed to elucidate the complex macromolecular nature of coals and the variation with coal rank.

Mechanical and Electrical Characterization of Novel Carbon Nano Fiber Ultralow Density Foam

DTIC Science & Technology

2013-12-01

permitted SEM images to be acquired of CFF samples under specified specific levels of stress...through the entire process I would not have been able to complete the amount of work that I had set out to accomplish, nor would I have recognized...identified the need for a material that could detect diverse levels of both, static and dynamic loads, with enough sensitivity but meant for low levels of

Photochemical mineralization of europium, titanium, and iron oxyhydroxide nanoparticles in the ferritin protein cage.

PubMed

Klem, Michael T; Mosolf, Jesse; Young, Mark; Douglas, Trevor

2008-04-07

The Fe storage protein ferritin was used as a size-constrained reaction vessel for the photoreduction and reoxidation of complexed Eu, Fe, and Ti precursors for the formation of oxyhydroxide nanoparticles. The resultant materials were characterized by dynamic light scattering, gel electrophoresis, UV-vis spectroscopy, and transmission electron microscopy. The photoreduction and reoxidation process is inspired by biological sequestration mechanisms observed in some marine siderophore systems.

Dynamic Response of Acrylonitrile Butadiene Styrene Under Impact Loading (Open Access)

DTIC Science & Technology

2016-03-16

of contraction and expansion was observed as the impact load was applied. Thismultistage deformation behavior may be attributable to the ring formed ...ABS fabricated by FDM. Results of the experimental characterization show that rasters formed parallel to the loading direction fabricated in the... formed using a solid ABS block to determine the mechanical property at various strain rates (Fig. 1). Through the analysis of the solid ABS, a linear

Statistical and sampling issues when using multiple particle tracking

NASA Astrophysics Data System (ADS)

Savin, Thierry; Doyle, Patrick S.

2007-08-01

Video microscopy can be used to simultaneously track several microparticles embedded in a complex material. The trajectories are used to extract a sample of displacements at random locations in the material. From this sample, averaged quantities characterizing the dynamics of the probes are calculated to evaluate structural and/or mechanical properties of the assessed material. However, the sampling of measured displacements in heterogeneous systems is singular because the volume of observation with video microscopy is finite. By carefully characterizing the sampling design in the experimental output of the multiple particle tracking technique, we derive estimators for the mean and variance of the probes’ dynamics that are independent of the peculiar statistical characteristics. We expose stringent tests of these estimators using simulated and experimental complex systems with a known heterogeneous structure. Up to a certain fundamental limitation, which we characterize through a material degree of sampling by the embedded probe tracking, these estimators can be applied to quantify the heterogeneity of a material, providing an original and intelligible kind of information on complex fluid properties. More generally, we show that the precise assessment of the statistics in the multiple particle tracking output sample of observations is essential in order to provide accurate unbiased measurements.

Static and dynamic micro deformable mirror characterization by phase-shifting and time-averaged interferometry

NASA Astrophysics Data System (ADS)

Liotard, Arnaud; Zamkotsian, Frédéric

2017-11-01

The micro-opto-electro-mechanical systems (MOEMS), based on mature technologies of micro-electronics, are essential in the design of future astronomical instruments. One of these key-components is the microdeformable mirror for wave-front correction. Very challenging topics like search of exo-planets could greatly benefit from this technology. Design, realization and characterization of micro-Deformable Mirrors are under way at Laboratoire d'Astrophysique de Marseille (LAM) in collaboration with Laboratoire d'Analyse et d'Architecture des Systèmes (LAAS). In order to measure the surface shape and the deformation parameters during operation of these devices, a high-resolution Twyman-Green interferometer has been developed. Measurements have been done on a tiltable micro-mirror (170*100μm2) designed by LAM-LAAS and realized by an American foundry, and also on an OKO deformable mirror (15mm diameter). Static characterization is made by phase shifting interferometry and dynamic measurements have been made by quantitative time-averaged interferometry. The OKO mirror has an actuator stroke of 370+/-10nm for 150V applied and its resonant frequency is 1170+/-50 Hz, and the tiltable mirror has a rotation cut-off frequency of 31+/-3 kHz.

Modeling and Characterization of Dynamic Failure of Soda-lime Glass Under High Speed Impact

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

Liu, Wenning N.; Sun, Xin; Chen, Weinong W.

2012-05-27

In this paper, the impact-induced dynamic failure of a soda-lime glass block is studied using an integrated experimental/analytical approach. The Split Hopkinson Pressure Bar (SHPB) technique is used to conduct dynamic failure test of soda-lime glass first. The damage growth patterns and stress histories are reported for various glass specimen designs. Making use of a continuum damage mechanics (CDM)-based constitutive model, the initial failure and subsequent stiffness reduction of glass are simulated and investigated. Explicit finite element analyses are used to simulate the glass specimen impact event. A maximum shear stress-based damage evolution law is used in describing the glassmore » damage process under combined compression/shear loading. The impact test results are used to quantify the critical shear stress for the soda-lime glass under examination.« less

Emergence of an enslaved phononic bandgap in a non-equilibrium pseudo-crystal.

PubMed

Bachelard, Nicolas; Ropp, Chad; Dubois, Marc; Zhao, Rongkuo; Wang, Yuan; Zhang, Xiang

2017-08-01

Material systems that reside far from thermodynamic equilibrium have the potential to exhibit dynamic properties and behaviours resembling those of living organisms. Here we realize a non-equilibrium material characterized by a bandgap whose edge is enslaved to the wavelength of an external coherent drive. The structure dynamically self-assembles into an unconventional pseudo-crystal geometry that equally distributes momentum across elements. The emergent bandgap is bestowed with lifelike properties, such as the ability to self-heal to perturbations and adapt to sudden changes in the drive. We derive an exact analytical solution for both the spatial organization and the bandgap features, revealing the mechanism for enslavement. This work presents a framework for conceiving lifelike non-equilibrium materials and emphasizes the potential for the dynamic imprinting of material properties through external degrees of freedom.

Emergence of an enslaved phononic bandgap in a non-equilibrium pseudo-crystal

NASA Astrophysics Data System (ADS)

Bachelard, Nicolas; Ropp, Chad; Dubois, Marc; Zhao, Rongkuo; Wang, Yuan; Zhang, Xiang

2017-08-01

Material systems that reside far from thermodynamic equilibrium have the potential to exhibit dynamic properties and behaviours resembling those of living organisms. Here we realize a non-equilibrium material characterized by a bandgap whose edge is enslaved to the wavelength of an external coherent drive. The structure dynamically self-assembles into an unconventional pseudo-crystal geometry that equally distributes momentum across elements. The emergent bandgap is bestowed with lifelike properties, such as the ability to self-heal to perturbations and adapt to sudden changes in the drive. We derive an exact analytical solution for both the spatial organization and the bandgap features, revealing the mechanism for enslavement. This work presents a framework for conceiving lifelike non-equilibrium materials and emphasizes the potential for the dynamic imprinting of material properties through external degrees of freedom.

Characterization of mechanical unfolding intermediates of membrane proteins by coarse grained molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Yamada, Tatsuya; Mitaku, Shigeki; Yamato, Takahisa

2018-01-01

Single-molecule force spectroscopy by atomic force microscopy allows us to get insight into the mechanical unfolding of membrane proteins, and a typical experiment exhibits characteristic patterns on the force distance curves. The origin of these patterns, however, has not been fully understood yet. We performed coarse-grained simulation of the forced unfolding of halorodopsin, reproduced the characteristic features of the experimental force distance curves. A further examination near the membrane-water interface indicated the existence of a motif for the force peak formation, i.e., the occurrence of hydrophobic residues in the upper interface region and hydrophilic residues below the lower interface region.

Dissipation at the angstrom scale: Probing the surface and interior of an enzyme

NASA Astrophysics Data System (ADS)

Alavi, Zahra; Zocchi, Giovanni

2018-05-01

Pursuing a materials science approach to understanding the deformability of enzymes, we introduce measurements of the phase of the mechanical response function within the nanorheology paradigm. Driven conformational motion of the enzyme is dissipative as characterized by the phase measurements. The dissipation originates both from the surface hydration layer and the interior of the molecule, probed by examining the effect of point mutations on the mechanics. We also document changes in the mechanics of the enzyme examined, guanylate kinase, upon binding its four substrates. GMP binding stiffens the molecule, ATP and ADP binding softens it, while there is no clear mechanical signature of GDP binding. A hyperactive two-Gly mutant is found to possibly trade specificity for speed. Global deformations of enzymes are shown to be dependent on both hydration layer and polypeptide chain dynamics.

Tube-like natural halloysite/poly(tetrafluoroethylene) nanocomposites: simultaneous enhancement in thermal and mechanical properties

NASA Astrophysics Data System (ADS)

Gamini, Suresh; Vasu, V.; Bose, Suryasarathi

2017-04-01

In the current study, PTFE (polytetrafluroethylene) matrix is reinforced with different wt% (2%-10%) of Halloysite nanotubes (HNTs). PTFE samples are fabricated with 2 wt% increment and are designated from ‘B’to ‘F’ and designation ‘A’ refers to neat PTFE. Thermal and mechanical characterization of the fabricated composites is studied. The calorimetric measurements showed enhanced degree of crystallinity of the nanocomposites, which is from 57.83% to 74.7%. The dynamic mechanical analysis results have shown enhanced storage modulus and loss modulus and reduced damping behaviour, without affecting glass transition temperature. Moreover, significant improvements in mechanical properties are observed from the experimental results. The results are discussed and validated with the existing literature. The phase and the fracture morphology of the nanocomposites is studied using scanning electron microscope and discussed herein.

Fast camera observations of injected and intrinsic dust in TEXTOR

NASA Astrophysics Data System (ADS)

Shalpegin, A.; Vignitchouk, L.; Erofeev, I.; Brochard, F.; Litnovsky, A.; Bozhenkov, S.; Bykov, I.; den Harder, N.; Sergienko, G.

2015-12-01

Stereoscopic fast camera observations of pre-characterized carbon and tungsten dust injection in TEXTOR are reported, along with the modelling of tungsten particle trajectories with MIGRAINe. Particle tracking analysis of the video data showed significant differences in dust dynamics: while carbon flakes were prone to agglomeration and explosive destruction, spherical tungsten particles followed quasi-inertial trajectories. Although this inertial nature prevented any validation of the force models used in MIGRAINe, comparisons between the experimental and simulated lifetimes provide a direct evidence of dust temperature overestimation in dust dynamics codes. Furthermore, wide-view observations of the TEXTOR interior revealed the main production mechanism of intrinsic carbon dust, as well as the location of probable dust remobilization sites.

Milling dynamics. I - Attritor dynamics: Results of a cinematographic study

NASA Technical Reports Server (NTRS)

Rydin, R. W.; Maurice, D.; Courtney, T. H.

1993-01-01

The motions of grinding media and powder in an attritor canister were studied by means of filming the agitated charge and frame-by-frame scrutiny of the footage. In conjunction with auxiliary experiments, this permitted semiquantitative analysis of the milling action. In particular, the mill can be divided into several regions characterized by different balances between direct impacts and rolling/sliding of the grinding media. Simple calculations suggest that impacts are more capable of effecting mechanical alloying (MA) than are rolling or sliding events in an attritor. Powder circulation within an operating mill was also investigated. Based on the results and the accompanying analysis, concepts for improved attritor design are presented.

Diving dynamics of seabirds

NASA Astrophysics Data System (ADS)

Jung, Sunghwan; Chang, Brian; Croson, Matt; Straker, Lorian; Dove, Carla

2015-03-01

Diving is the activity of falling from air into water, which is somewhat dangerous due to the impact. Humans dive for entertainments less than 20 meters high, however seabirds dive as a hunting mechanism from more than 20 meters high. Moreover, most birds including seabirds have a slender and long neck compared to many other animals, which can potentially be the weakest part of the body upon axial impact compression. Motivated by the diving dynamics, we investigate the effect of surface and geometric configurations on structures consisting of a beak-like cone and a neck-like elastic beam. A transition from non-buckling to buckling is characterized and understood through physical experiments and an analytical model.

Stochastic optimal control as non-equilibrium statistical mechanics: calculus of variations over density and current

NASA Astrophysics Data System (ADS)

Chernyak, Vladimir Y.; Chertkov, Michael; Bierkens, Joris; Kappen, Hilbert J.

2014-01-01

In stochastic optimal control (SOC) one minimizes the average cost-to-go, that consists of the cost-of-control (amount of efforts), cost-of-space (where one wants the system to be) and the target cost (where one wants the system to arrive), for a system participating in forced and controlled Langevin dynamics. We extend the SOC problem by introducing an additional cost-of-dynamics, characterized by a vector potential. We propose derivation of the generalized gauge-invariant Hamilton-Jacobi-Bellman equation as a variation over density and current, suggest hydrodynamic interpretation and discuss examples, e.g., ergodic control of a particle-within-a-circle, illustrating non-equilibrium space-time complexity.

Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins.

PubMed

Stetz, Gabrielle; Verkhivker, Gennady M

2015-01-01

Hsp70 and Hsp110 chaperones play an important role in regulating cellular processes that involve protein folding and stabilization, which are essential for the integrity of signaling networks. Although many aspects of allosteric regulatory mechanisms in Hsp70 and Hsp110 chaperones have been extensively studied and significantly advanced in recent experimental studies, the atomistic picture of signal propagation and energetics of dynamics-based communication still remain unresolved. In this work, we have combined molecular dynamics simulations and protein stability analysis of the chaperone structures with the network modeling of residue interaction networks to characterize molecular determinants of allosteric mechanisms. We have shown that allosteric mechanisms of Hsp70 and Hsp110 chaperones may be primarily determined by nucleotide-induced redistribution of local conformational ensembles in the inter-domain regions and the substrate binding domain. Conformational dynamics and energetics of the peptide substrate binding with the Hsp70 structures has been analyzed using free energy calculations, revealing allosteric hotspots that control negative cooperativity between regulatory sites. The results have indicated that cooperative interactions may promote a population-shift mechanism in Hsp70, in which functional residues are organized in a broad and robust allosteric network that can link the nucleotide-binding site and the substrate-binding regions. A smaller allosteric network in Hsp110 structures may elicit an entropy-driven allostery that occurs in the absence of global structural changes. We have found that global mediating residues with high network centrality may be organized in stable local communities that are indispensable for structural stability and efficient allosteric communications. The network-centric analysis of allosteric interactions has also established that centrality of functional residues could correlate with their sensitivity to mutations across diverse chaperone functions. This study reconciles a wide spectrum of structural and functional experiments by demonstrating how integration of molecular simulations and network-centric modeling may explain thermodynamic and mechanistic aspects of allosteric regulation in chaperones.

Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins

PubMed Central

Stetz, Gabrielle; Verkhivker, Gennady M.

2015-01-01

Hsp70 and Hsp110 chaperones play an important role in regulating cellular processes that involve protein folding and stabilization, which are essential for the integrity of signaling networks. Although many aspects of allosteric regulatory mechanisms in Hsp70 and Hsp110 chaperones have been extensively studied and significantly advanced in recent experimental studies, the atomistic picture of signal propagation and energetics of dynamics-based communication still remain unresolved. In this work, we have combined molecular dynamics simulations and protein stability analysis of the chaperone structures with the network modeling of residue interaction networks to characterize molecular determinants of allosteric mechanisms. We have shown that allosteric mechanisms of Hsp70 and Hsp110 chaperones may be primarily determined by nucleotide-induced redistribution of local conformational ensembles in the inter-domain regions and the substrate binding domain. Conformational dynamics and energetics of the peptide substrate binding with the Hsp70 structures has been analyzed using free energy calculations, revealing allosteric hotspots that control negative cooperativity between regulatory sites. The results have indicated that cooperative interactions may promote a population-shift mechanism in Hsp70, in which functional residues are organized in a broad and robust allosteric network that can link the nucleotide-binding site and the substrate-binding regions. A smaller allosteric network in Hsp110 structures may elicit an entropy-driven allostery that occurs in the absence of global structural changes. We have found that global mediating residues with high network centrality may be organized in stable local communities that are indispensable for structural stability and efficient allosteric communications. The network-centric analysis of allosteric interactions has also established that centrality of functional residues could correlate with their sensitivity to mutations across diverse chaperone functions. This study reconciles a wide spectrum of structural and functional experiments by demonstrating how integration of molecular simulations and network-centric modeling may explain thermodynamic and mechanistic aspects of allosteric regulation in chaperones. PMID:26619280

The force-dependent mechanism of DnaK-mediated mechanical folding

PubMed Central

Perales-Calvo, Judit; Giganti, David; Stirnemann, Guillaume; Garcia-Manyes, Sergi

2018-01-01

It is well established that chaperones modulate the protein folding free-energy landscape. However, the molecular determinants underlying chaperone-mediated mechanical folding remain largely elusive, primarily because the force-extended unfolded conformation fundamentally differs from that characterized in biochemistry experiments. We use single-molecule force-clamp spectroscopy, combined with molecular dynamics simulations, to study the effect that the Hsp70 system has on the mechanical folding of three mechanically stiff model proteins. Our results demonstrate that, when working independently, DnaJ (Hsp40) and DnaK (Hsp70) work as holdases, blocking refolding by binding to distinct substrate conformations. Whereas DnaK binds to molten globule–like forms, DnaJ recognizes a cryptic sequence in the extended state in an unanticipated force-dependent manner. By contrast, the synergetic coupling of the Hsp70 system exhibits a marked foldase behavior. Our results offer unprecedented molecular and kinetic insights into the mechanisms by which mechanical force finely regulates chaperone binding, directly affecting protein elasticity. PMID:29487911

The variations in the nuclear proteome reveal new transcription factors and mechanisms involved in UV stress response in Pinus radiata.

PubMed

Pascual, Jesús; Alegre, Sara; Nagler, Matthias; Escandón, Mónica; Annacondia, María Luz; Weckwerth, Wolfram; Valledor, Luis; Cañal, María Jesús

2016-06-30

The importance of UV stress and its side-effects over the loss of plant productivity in forest species demands a deeper understanding of how pine trees respond to UV irradiation. Although the response to UV stress has been characterized at system and cellular levels, the dynamics within the nuclear proteome triggered by UV is still unknown despite that they are essential for gene expression and regulation of plant physiology. To fill this gap this work aims to characterize the variations in the nuclear proteome as a response to UV irradiation by using state-of-the-art mass spectrometry-based methods combined with novel bioinformatics workflows. The combination of SEQUEST, de novo sequencing, and novel annotation pipelines allowed cover sensing and transduction pathways, endoplasmic reticulum-related mechanisms and the regulation of chromatin dynamism and gene expression by histones, histone-like NF-Ys, and other transcription factors previously unrelated to this stress source, as well as the role of alternative splicing and other mechanisms involved in RNA translation and protein synthesis. The determination of 33 transcription factors, including NF-YB13, Pp005698_3 (NF-YB) and Pr009668_2 (WD-40), which are correlated to stress responsive mechanisms like an increased accumulation of photoprotective pigments and reduced photosynthesis, pointing them as strong candidate biomarkers for breeding programs aimed to improve UV resistance of pine trees. The description of the nuclear proteome of Pinus radiata combining a classic approach based on the use of SEQUEST and the use of a mass accuracy precursor alignment (MAPA) allowed an unprecedented protein coverage. This workflow provided the methodological basis for characterizing the changes in the nuclear proteome triggered by UV irradiation, allowing the depiction of the nuclear events involved in stress response and adaption. The relevance of some of the discovered proteins will suppose a major advance in stress biology field, also providing a set of transcription factors that can be considered as strong biomarker candidates to select trees more tolerant to UV radiation in forest upgrade programs. Copyright © 2016 Elsevier B.V. All rights reserved.

Dynamic Mechanical Properties and Microstructure of Graphene Oxide Nanosheets Reinforced Cement Composites.

PubMed

Long, Wu-Jian; Wei, Jing-Jie; Ma, Hongyan; Xing, Feng

2017-11-24

This paper presents an experimental investigation on the effect of uniformly dispersed graphene oxide (GO) nanosheets on dynamic mechanical properties of cement based composites prepared with recycled fine aggregate (RFA). Three different amounts of GO, 0.05%, 0.10%, and 0.20% in mass of cement, were used in the experiments. The visual inspections of GO nanosheets were also carried out after ultrasonication by transmission electron microscope (TEM) atomic force microscope (AFM), and Raman to characterize the dispersion effect of graphite oxide. Dynamic mechanical analyzer test showed that the maximum increased amount of loss factor and storage modulus, energy absorption was 125%, 53%, and 200% when compared to the control sample, respectively. The flexural and compressive strengths of GO-mortar increased up to 22% to 41.3% and 16.2% to 16.4% with 0.20 wt % GO at 14 and 28 days, respectively. However the workability decreased by 7.5% to 18.8% with 0.05% and 0.2% GO addition. Microstructural analysis with environmental scanning electron microscopy (ESEM)/backscattered mode (BSEM) showed that the GO-cement composites had a much denser structure and better crystallized hydration products, meanwhile mercury intrusion porosimetry (MIP) testing and image analysis demonstrated that the incorporation of GO in the composites can help in refining capillary pore structure and reducing the air voids content.

Dynamic Mechanical Properties and Microstructure of Graphene Oxide Nanosheets Reinforced Cement Composites

PubMed Central

Wei, Jing-Jie; Xing, Feng

2017-01-01

This paper presents an experimental investigation on the effect of uniformly dispersed graphene oxide (GO) nanosheets on dynamic mechanical properties of cement based composites prepared with recycled fine aggregate (RFA). Three different amounts of GO, 0.05%, 0.10%, and 0.20% in mass of cement, were used in the experiments. The visual inspections of GO nanosheets were also carried out after ultrasonication by transmission electron microscope (TEM) atomic force microscope (AFM), and Raman to characterize the dispersion effect of graphite oxide. Dynamic mechanical analyzer test showed that the maximum increased amount of loss factor and storage modulus, energy absorption was 125%, 53%, and 200% when compared to the control sample, respectively. The flexural and compressive strengths of GO-mortar increased up to 22% to 41.3% and 16.2% to 16.4% with 0.20 wt % GO at 14 and 28 days, respectively. However the workability decreased by 7.5% to 18.8% with 0.05% and 0.2% GO addition. Microstructural analysis with environmental scanning electron microscopy (ESEM)/backscattered mode (BSEM) showed that the GO-cement composites had a much denser structure and better crystallized hydration products, meanwhile mercury intrusion porosimetry (MIP) testing and image analysis demonstrated that the incorporation of GO in the composites can help in refining capillary pore structure and reducing the air voids content. PMID:29186810

Dynamical characterization of the 2010/2011 winter Arctic ozone depletion replaced in a climatologic context

NASA Astrophysics Data System (ADS)

Thiéblemont, R.; Huret, N.; Hauchecorne, A.; Drouin, M.

2011-12-01

The 2010/2011 stratospheric winter has recorded one of the strongest ozone depletion in the Arctic region since observations began. Such phenomenon is currently very difficult to predict as it strongly depends on winter dynamical conditions. The aim of this study is to characterize winter/spring dynamical stratospheric conditions and the ozone depletion yield. We used the AURA-MLS (Microwave Limb Sounder) measurements, the ECMWF (European Centre for Medium-Range Weather Forecasts) Era-Interim meteorological fields and the results of the potential vorticity contour advection model MIMOSA (Modélisation Isentrope du transport Méso-échelle de l'Ozone Stratosphérique par Advection). Dynamical processes associated with the 2010/2011 winter have been investigated and replaced in a climatologic context by comparing this winter to previous similar and different winter/spring seasons over the last 20 years. Preliminary results show that the polar night jet in 2010/2011 was of an extraordinary strength during February-March, as for the same period in 1995/1996 where the ozone depletion was close to 30 %. Using MIMOSA model, we also show that the polar vortex during February-March 2010/2011 was more centred above the pole than the climatologic location. Wave activity and heat fluxes deduced from ECMWF data allow us to evaluate the specific conditions encountered during this 2010/2011 winter and mechanisms which lead to such extreme situation.

Mathematical models to characterize early epidemic growth: A Review

PubMed Central

Chowell, Gerardo; Sattenspiel, Lisa; Bansal, Shweta; Viboud, Cécile

2016-01-01

There is a long tradition of using mathematical models to generate insights into the transmission dynamics of infectious diseases and assess the potential impact of different intervention strategies. The increasing use of mathematical models for epidemic forecasting has highlighted the importance of designing reliable models that capture the baseline transmission characteristics of specific pathogens and social contexts. More refined models are needed however, in particular to account for variation in the early growth dynamics of real epidemics and to gain a better understanding of the mechanisms at play. Here, we review recent progress on modeling and characterizing early epidemic growth patterns from infectious disease outbreak data, and survey the types of mathematical formulations that are most useful for capturing a diversity of early epidemic growth profiles, ranging from sub-exponential to exponential growth dynamics. Specifically, we review mathematical models that incorporate spatial details or realistic population mixing structures, including meta-population models, individual-based network models, and simple SIR-type models that incorporate the effects of reactive behavior changes or inhomogeneous mixing. In this process, we also analyze simulation data stemming from detailed large-scale agent-based models previously designed and calibrated to study how realistic social networks and disease transmission characteristics shape early epidemic growth patterns, general transmission dynamics, and control of international disease emergencies such as the 2009 A/H1N1 influenza pandemic and the 2014-15 Ebola epidemic in West Africa. PMID:27451336

Mathematical models to characterize early epidemic growth: A review

NASA Astrophysics Data System (ADS)

Chowell, Gerardo; Sattenspiel, Lisa; Bansal, Shweta; Viboud, Cécile

2016-09-01

There is a long tradition of using mathematical models to generate insights into the transmission dynamics of infectious diseases and assess the potential impact of different intervention strategies. The increasing use of mathematical models for epidemic forecasting has highlighted the importance of designing reliable models that capture the baseline transmission characteristics of specific pathogens and social contexts. More refined models are needed however, in particular to account for variation in the early growth dynamics of real epidemics and to gain a better understanding of the mechanisms at play. Here, we review recent progress on modeling and characterizing early epidemic growth patterns from infectious disease outbreak data, and survey the types of mathematical formulations that are most useful for capturing a diversity of early epidemic growth profiles, ranging from sub-exponential to exponential growth dynamics. Specifically, we review mathematical models that incorporate spatial details or realistic population mixing structures, including meta-population models, individual-based network models, and simple SIR-type models that incorporate the effects of reactive behavior changes or inhomogeneous mixing. In this process, we also analyze simulation data stemming from detailed large-scale agent-based models previously designed and calibrated to study how realistic social networks and disease transmission characteristics shape early epidemic growth patterns, general transmission dynamics, and control of international disease emergencies such as the 2009 A/H1N1 influenza pandemic and the 2014-2015 Ebola epidemic in West Africa.

Dynamic localization and shear-induced hopping of particles: A way to understand the rheology of dense colloidal dispersions

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

Jiang, Tianying; Zukoski, Charles F., E-mail: czukoski@illinois.edu

2014-09-01

For decades, attempts have been made to understand the formation of colloidal glasses and gels by linking suspension mechanics to particle properties where details of size, shape, and spatial dependencies of pair potentials present a bewildering array of variables that can be manipulated to achieve observed properties. Despite the range of variables that control suspension properties, one consistent observation is the remarkably similarity of flow properties observed as particle properties are varied. Understanding the underlying origins of the commonality in those behaviors (e.g., shear-thinning with increasing stress, diverging zero shear rate viscosity with increasing volume fraction, development of a dynamicmore » yield stress plateau with increases in volume faction or strength of attraction, development of two characteristic relaxation times probed in linear viscoelasticity, the creation of a rubbery plateau modulus at high strain frequencies, and shear-thickening) remains a challenge. Recently, naïve mode coupling and dynamic localization theories have been developed to capture collective behavior giving rise to formation of colloidal glasses and gels. This approach characterizes suspension mechanics of strongly interacting particles in terms of sluggish long-range particle diffusion modulated by varying particle interactions and volume fraction. These theories capture the scaling of the modulus with the volume fraction and strength of interparticle attraction, the frequency dependence of the moduli at the onset of the gel/glass transition, together with the divergence of the zero shear rate viscosity and cessation of diffusivity for hard sphere systems as close packing is approached. In this study, we explore the generality of the predictions of dynamic localization theory for systems of particles composed of bimodal particle size distributions experiencing weak interactions. We find that the mechanical properties of these suspensions are well captured within the framework of dynamic localization theory and that suspension mechanics can be understood in terms of a dynamical potential barrier, the magnitude of which governs the zero shear rate viscosity, and onset of a dynamic yield stress plateau as volume fraction or strength of interaction is raised.« less

An Experimental Investigation of Compressible Dynamic Stall on a Pitching Airfoil

NASA Astrophysics Data System (ADS)

Thorne, Katie; Bowles, Patrick

2009-11-01

A new facility has been designed and constructed at the University of Notre Dame to investigate dynamic stall on a 2-D pitching airfoil at high subsonic Mach numbers. This work is motivated by the need to investigate dynamic stall at conditions relevant to military helicopters. One focus of the experiments is to characterize the role of shock/boundary layer interactions during the pitching cycle. The new dynamic stall facility is integrated into a closed-loop, low turbulence wind tunnel capable of achieving test section Mach numbers in excess of M = 0.6. The design of the dynamic stall test section was focused on achieving reduced pitching frequencies of up to k = 0.2 and chord Reynolds numbers up to 5 x10^6. The facility has the unique ability to execute non-harmonic pitching motions through the use of an actuated pitch link mechanism. Optical access is provided to allow the use of high-speed and Schlieren imaging. Thirty-one flush mounted Kulite dynamic pressure transducers provide the instantaneous unsteady surface pressure distribution over the airfoil. Initial dynamic stall measurements obtained in the new facility will be described.

High-speed nanoscale characterization of dewetting via dynamic transmission electron microscopy

NASA Astrophysics Data System (ADS)

Hihath, Sahar; Santala, Melissa K.; Campbell, Geoffrey; van Benthem, Klaus

2016-08-01

The dewetting of thin films can occur in either the solid or the liquid state for which different mass transport mechanisms are expected to control morphological changes. Traditionally, dewetting dynamics have been examined on time scales between several seconds to hours, and length scales ranging between nanometers and millimeters. The determination of mass transport mechanisms on the nanoscale, however, requires nanoscale spatial resolution and much shorter time scales. This study reports the high-speed observation of dewetting phenomena for kinetically constrained Ni thin films on crystalline SrTiO3 substrates. Movie-mode Dynamic Transmission Electron Microscopy (DTEM) was used for high-speed image acquisition during thin film dewetting at different temperatures. DTEM imaging confirmed that the initial stages of film agglomeration include edge retraction, hole formation, and growth. Finite element modeling was used to simulate temperature distributions within the DTEM samples after laser irradiation with different energies. For pulsed laser irradiation at 18 μJ, experimentally observed hole growth suggests that Marangoni flow dominates hole formation in the liquid nickel film. After irradiation with 13.8 μJ, however, the observations suggest that dewetting was initiated by nucleation of voids followed by hole growth through solid-state surface diffusion.

Characterization of free volume during vulcanization of styrene butadiene rubber by means of positron annihilation lifetime spectroscopy and dynamic mechanical test.

PubMed

Marzocca, A J; Cerveny, S; Salgueiro, W; Somoza, A; Gonzalez, L

2002-02-01

An experimental investigation was performed to study the effect on the free volume of the advance of the cross-linking reaction in a copolymer of styrene butadiene rubber by sulfur vulcanization. The dynamic modulus and loss tangent were evaluated over samples cured for different times at 433 K by dynamic mechanical tests over a range of frequencies between 5 and 80 Hz at temperatures between 200 and 300 K. Using the William-Landel-Ferry relationship, master curves were obtained at a reference temperature of 298 K and the coefficients c(0)(1) and c(0)(2) were evaluated. From these parameters the dependence of the free volume on the cure time is obtained. Positron annihilation lifetime spectroscopy was also used to estimate the size and number density of free volume sites in the material. The spectra were analyzed in terms of continuous distributions of free volume size. The results suggest an increase of the lower free volume size when cross linking takes place. Both techniques give similar results for the dependence of free volume on the time of cure of the polymer.

Transient chaos and crisis phenomena in butterfly valves driven by solenoid actuators

NASA Astrophysics Data System (ADS)

Naseradinmousavi, Peiman; Nataraj, C.

2012-11-01

Chilled water systems used in the industry and on board ships are critical for safe and reliable operation. It is hence important to understand the fundamental physics of these systems. This paper focuses in particular on a critical part of the automation system, namely, actuators and valves that are used in so-called "smart valve" systems. The system is strongly nonlinear, and necessitates a nonlinear dynamic analysis to be able to predict all critical phenomena that affect effective operation and efficient design. The derived mathematical model includes electromagnetics, fluid mechanics, and mechanical dynamics. Nondimensionalization has been carried out in order to reduce the large number of parameters to a few critical independent sets to help carry out a broad parametric analysis. The system stability analysis is then carried out with the aid of the tools from nonlinear dynamic analysis. This reveals that the system is unstable in a certain region of the parameter space. The system is also shown to exhibit crisis and transient chaotic responses; this is characterized using Lyapunov exponents and power spectra. Knowledge and avoidance of these dangerous regimes is necessary for successful and safe operation.

The axonal transport of mitochondria

PubMed Central

Saxton, William M.; Hollenbeck, Peter J.

2012-01-01

Vigorous transport of cytoplasmic components along axons over substantial distances is crucial for the maintenance of neuron structure and function. The transport of mitochondria, which serves to distribute mitochondrial functions in a dynamic and non-uniform fashion, has attracted special interest in recent years following the discovery of functional connections among microtubules, motor proteins and mitochondria, and their influences on neurodegenerative diseases. Although the motor proteins that drive mitochondrial movement are now well characterized, the mechanisms by which anterograde and retrograde movement are coordinated with one another and with stationary axonal mitochondria are not yet understood. In this Commentary, we review why mitochondria move and how they move, focusing particularly on recent studies of transport regulation, which implicate control of motor activity by specific cell-signaling pathways, regulation of motor access to transport tracks and static microtubule–mitochondrion linkers. A detailed mechanism for modulating anterograde mitochondrial transport has been identified that involves Miro, a mitochondrial Ca2+-binding GTPase, which with associated proteins, can bind and control kinesin-1. Elements of the Miro complex also have important roles in mitochondrial fission–fusion dynamics, highlighting questions about the interdependence of biogenesis, transport, dynamics, maintenance and degradation. PMID:22619228

Coupling biochemistry and hydrodynamics captures hyperactivated sperm motility in a simple flagellar model

PubMed Central

Olson, Sarah D.; Suarez, Susan S.; Fauci, Lisa J.

2011-01-01

Hyperactivation in mammalian sperm is characterized by highly asymmetrical waveforms and an increase in the amplitude of flagellar bends. It is important for the sperm to be able to achieve hyperactivated motility in order to reach and fertilize the egg. Calcium (Ca2+) dynamics are known to play a large role in the initiation and maintenance of hyperactivated motility. Here we present an integrative model that couples the CatSper channel mediated Ca2+ dynamics of hyperactivation to a mechanical model of an idealized sperm flagellum in a 3-d viscous, incompressible fluid. The mechanical forces are due to passive stiffness properties and active bending moments that are a function of the local Ca2+ concentration along the length of the flagellum. By including an asymmetry in bending moments to reflect an asymmetry in the axoneme’s response to Ca2+, we capture the transition from activated motility to hyperactivated motility. We examine the effects of elastic properties of the flagellum and the Ca2+ dynamics on the overall swimming patterns. The swimming velocities of the model flagellum compare well with data for hyperactivated mouse sperm. PMID:21669209

Interferometric characterization of tear film dynamics

NASA Astrophysics Data System (ADS)

Primeau, Brian Christopher

The anterior refracting surface of the eye is the thin tear film that forms on the surface of the cornea. When a contact lens is on worn, the tear film covers the contact lens as it would a bare cornea, and is affected by the contact lens material properties. Tear film irregularity can cause both discomfort and vision quality degradation. Under normal conditions, the tear film is less than 10 microns thick and the thickness and topography change in the time between blinks. In order to both better understand the tear film, and to characterize how contact lenses affect tear film behavior, two interferometers were designed and built to separately measure tear film behavior in vitro and in vivo. An in vitro method of characterizing dynamic fluid layers applied to contact lenses mounted on mechanical substrates has been developed using a phase-shifting Twyman-Green interferometer. This interferometer continuously measures light reflected from the surface of the fluid layer, allowing precision analysis of the dynamic fluid layer. Movies showing this fluid layer behavior can be generated. The fluid behavior on the contact lens surface is measured, allowing quantitative analysis beyond what typical contact angle or visual inspection methods provide. The in vivo interferometer is a similar system, with additional modules included to provide capability for human testing. This tear film measurement allows analysis beyond capabilities of typical fluorescein visual inspection or videokeratometry and provides better sensitivity and resolution than shearing interferometry methods.

Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase.

PubMed

Osipiuk, Jerzy; Mulligan, Rory; Bargassa, Monireh; Hamilton, John E; Cunningham, Mark A; Joachimiak, Andrzej

2012-06-01

The crystal structure of SO1698 protein from Shewanella oneidensis was determined by a SAD method and refined to 1.57 Å. The structure is a β sandwich that unexpectedly consists of two polypeptides; the N-terminal fragment includes residues 1-116, and the C-terminal one includes residues 117-125. Electron density also displayed the Lys-98 side chain covalently linked to Asp-116. The putative active site residues involved in self-cleavage were identified; point mutants were produced and characterized structurally and in a biochemical assay. Numerical simulations utilizing molecular dynamics and hybrid quantum/classical calculations suggest a mechanism involving activation of a water molecule coordinated by a catalytic aspartic acid.

An application of holographic interferometry for dynamic vibration analysis of a jet engine turbine compressor rotor

NASA Astrophysics Data System (ADS)

Fein, Howard

2003-09-01

Holographic Interferometry has been successfully employed to characterize the materials and behavior of diverse types of structures under dynamic stress. Specialized variations of this technology have also been applied to define dynamic and vibration related structural behavior. Such applications of holographic technique offer some of the most effective methods of modal and dynamic analysis available. Real-time dynamic testing of the modal and mechanical behavior of jet engine turbine, rotor, vane, and compressor structures has always required advanced instrumentation for data collection in either simulated flight operation test or computer-based modeling and simulations. Advanced optical holography techniques are alternate methods which result in actual full-field behavioral data in a noninvasive, noncontact environment. These methods offer significant insight in both the development and subsequent operational test and modeling of advanced jet engine turbine and compressor rotor structures and their integration with total vehicle system dynamics. Structures and materials can be analyzed with very low amplitude excitation and the resultant data can be used to adjust the accuracy of mathematically derived structural and behavioral models. Holographic Interferometry offers a powerful tool to aid in the developmental engineering of turbine rotor and compressor structures for high stress applications. Aircraft engine applications in particular most consider operational environments where extremes in vibration and impulsive as well as continuous mechanical stress can affect both operation and structural stability. These considerations present ideal requisites for analysis using advanced holographic methods in the initial design and test of turbine rotor components. Holographic techniques are nondestructive, real-time, and definitive in allowing the identification of vibrational modes, displacements, and motion geometries. Such information can be crucial to the determination of mechanical configurations and designs as well as critical operational parameters of turbine structural components or unit turbine components fabricated from advanced and exotic new materials or using new fabrication methods. Anomalous behavioral characteristics can be directly related to hidden structural or mounting anomalies and defects.

Probing Molecular Mechanisms of the Hsp90 Chaperone: Biophysical Modeling Identifies Key Regulators of Functional Dynamics

PubMed Central

Dixit, Anshuman; Verkhivker, Gennady M.

2012-01-01

Deciphering functional mechanisms of the Hsp90 chaperone machinery is an important objective in cancer biology aiming to facilitate discovery of targeted anti-cancer therapies. Despite significant advances in understanding structure and function of molecular chaperones, organizing molecular principles that control the relationship between conformational diversity and functional mechanisms of the Hsp90 activity lack a sufficient quantitative characterization. We combined molecular dynamics simulations, principal component analysis, the energy landscape model and structure-functional analysis of Hsp90 regulatory interactions to systematically investigate functional dynamics of the molecular chaperone. This approach has identified a network of conserved regions common to the Hsp90 chaperones that could play a universal role in coordinating functional dynamics, principal collective motions and allosteric signaling of Hsp90. We have found that these functional motifs may be utilized by the molecular chaperone machinery to act collectively as central regulators of Hsp90 dynamics and activity, including the inter-domain communications, control of ATP hydrolysis, and protein client binding. These findings have provided support to a long-standing assertion that allosteric regulation and catalysis may have emerged via common evolutionary routes. The interaction networks regulating functional motions of Hsp90 may be determined by the inherent structural architecture of the molecular chaperone. At the same time, the thermodynamics-based “conformational selection” of functional states is likely to be activated based on the nature of the binding partner. This mechanistic model of Hsp90 dynamics and function is consistent with the notion that allosteric networks orchestrating cooperative protein motions can be formed by evolutionary conserved and sparsely connected residue clusters. Hence, allosteric signaling through a small network of distantly connected residue clusters may be a rather general functional requirement encoded across molecular chaperones. The obtained insights may be useful in guiding discovery of allosteric Hsp90 inhibitors targeting protein interfaces with co-chaperones and protein binding clients. PMID:22624053

Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA

NASA Astrophysics Data System (ADS)

Huang, Yandong; Chen, Wei; Dotson, David L.; Beckstein, Oliver; Shen, Jana

2016-10-01

Escherichia coli NhaA is a prototype sodium-proton antiporter, which has been extensively characterized by X-ray crystallography, biochemical and biophysical experiments. However, the identities of proton carriers and details of pH-regulated mechanism remain controversial. Here we report constant pH molecular dynamics data, which reveal that NhaA activation involves a net charge switch of a pH sensor at the entrance of the cytoplasmic funnel and opening of a hydrophobic gate at the end of the funnel. The latter is triggered by charging of Asp164, the first proton carrier. The second proton carrier Lys300 forms a salt bridge with Asp163 in the inactive state, and releases a proton when a sodium ion binds Asp163. These data reconcile current models and illustrate the power of state-of-the-art molecular dynamics simulations in providing atomic details of proton-coupled transport across membrane which is challenging to elucidate by experimental techniques.

Understanding the mechanisms of amorphous creep through molecular simulation

NASA Astrophysics Data System (ADS)

Cao, Penghui; Short, Michael P.; Yip, Sidney

2017-12-01

Molecular processes of creep in metallic glass thin films are simulated at experimental timescales using a metadynamics-based atomistic method. Space-time evolutions of the atomic strains and nonaffine atom displacements are analyzed to reveal details of the atomic-level deformation and flow processes of amorphous creep in response to stress and thermal activations. From the simulation results, resolved spatially on the nanoscale and temporally over time increments of fractions of a second, we derive a mechanistic explanation of the well-known variation of creep rate with stress. We also construct a deformation map delineating the predominant regimes of diffusional creep at low stress and high temperature and deformational creep at high stress. Our findings validate the relevance of two original models of the mechanisms of amorphous plasticity: one focusing on atomic diffusion via free volume and the other focusing on stress-induced shear deformation. These processes are found to be nonlinearly coupled through dynamically heterogeneous fluctuations that characterize the slow dynamics of systems out of equilibrium.

Characterization of the Interaction between Gallic Acid and Lysozyme by Molecular Dynamics Simulation and Optical Spectroscopy

PubMed Central

Zhan, Minzhong; Guo, Ming; Jiang, Yanke; Wang, Xiaomeng

2015-01-01

The binding interaction between gallic acid (GA) and lysozyme (LYS) was investigated and compared by molecular dynamics (MD) simulation and spectral techniques. The results from spectroscopy indicate that GA binds to LYS to generate a static complex. The binding constants and thermodynamic parameters were calculated. MD simulation revealed that the main driving forces for GA binding to LYS are hydrogen bonding and hydrophobic interactions. The root-mean-square deviation verified that GA and LYS bind to form a stable complex, while the root-mean-square fluctuation results showed that the stability of the GA-LYS complex at 298 K was higher than that at 310 K. The calculated free binding energies from the molecular mechanics/Poisson-Boltzmann surface area method showed that van der Waals forces and electrostatic interactions are the predominant intermolecular forces. The MD simulation was consistent with the spectral experiments. This study provides a reference for future study of the pharmacological mechanism of GA. PMID:26140374

Characterization of the Interaction between Gallic Acid and Lysozyme by Molecular Dynamics Simulation and Optical Spectroscopy.

PubMed

Zhan, Minzhong; Guo, Ming; Jiang, Yanke; Wang, Xiaomeng

2015-07-01

The binding interaction between gallic acid (GA) and lysozyme (LYS) was investigated and compared by molecular dynamics (MD) simulation and spectral techniques. The results from spectroscopy indicate that GA binds to LYS to generate a static complex. The binding constants and thermodynamic parameters were calculated. MD simulation revealed that the main driving forces for GA binding to LYS are hydrogen bonding and hydrophobic interactions. The root-mean-square deviation verified that GA and LYS bind to form a stable complex, while the root-mean-square fluctuation results showed that the stability of the GA-LYS complex at 298 K was higher than that at 310 K. The calculated free binding energies from the molecular mechanics/Poisson-Boltzmann surface area method showed that van der Waals forces and electrostatic interactions are the predominant intermolecular forces. The MD simulation was consistent with the spectral experiments. This study provides a reference for future study of the pharmacological mechanism of GA.

Photoelectrical Stimulation of Neuronal Cells by an Organic Semiconductor-Electrolyte Interface.

PubMed

Abdullaeva, Oliya S; Schulz, Matthias; Balzer, Frank; Parisi, Jürgen; Lützen, Arne; Dedek, Karin; Schiek, Manuela

2016-08-23

As a step toward the realization of neuroprosthetics for vision restoration, we follow an electrophysiological patch-clamp approach to study the fundamental photoelectrical stimulation mechanism of neuronal model cells by an organic semiconductor-electrolyte interface. Our photoactive layer consisting of an anilino-squaraine donor blended with a fullerene acceptor is supporting the growth of the neuronal model cell line (N2A cells) without an adhesion layer on it and is not impairing cell viability. The transient photocurrent signal upon illumination from the semiconductor-electrolyte layer is able to trigger a passive response of the neuronal cells under physiological conditions via a capacitive coupling mechanism. We study the dynamics of the capacitive transmembrane currents by patch-clamp recordings and compare them to the dynamics of the photocurrent signal and its spectral responsivity. Furthermore, we characterize the morphology of the semiconductor-electrolyte interface by atomic force microscopy and study the stability of the interface in dark and under illuminated conditions.

Pharmaceutical applications of dynamic mechanical thermal analysis.

PubMed

Jones, David S; Tian, Yiwei; Abu-Diak, Osama; Andrews, Gavin P

2012-04-01

The successful development of polymeric drug delivery and biomedical devices requires a comprehensive understanding of the viscoleastic properties of polymers as these have been shown to directly affect clinical efficacy. Dynamic mechanical thermal analysis (DMTA) is an accessible and versatile analytical technique in which an oscillating stress or strain is applied to a sample as a function of oscillatory frequency and temperature. Through cyclic application of a non-destructive stress or strain, a comprehensive understanding of the viscoelastic properties of polymers may be obtained. In this review, we provide a concise overview of the theory of DMTA and the basic instrumental/operating principles. Moreover, the application of DMTA for the characterization of solid pharmaceutical and biomedical systems has been discussed in detail. In particular we have described the potential of DMTA to measure and understand relaxation transitions and miscibility in binary and higher-order systems and describe the more recent applications of the technique for this purpose. © 2011 Elsevier B.V. All rights reserved.

A probabilistic, distributed, recursive mechanism for decision-making in the brain

PubMed Central

Gurney, Kevin N.

2018-01-01

Decision formation recruits many brain regions, but the procedure they jointly execute is unknown. Here we characterize its essential composition, using as a framework a novel recursive Bayesian algorithm that makes decisions based on spike-trains with the statistics of those in sensory cortex (MT). Using it to simulate the random-dot-motion task, we demonstrate it quantitatively replicates the choice behaviour of monkeys, whilst predicting losses of otherwise usable information from MT. Its architecture maps to the recurrent cortico-basal-ganglia-thalamo-cortical loops, whose components are all implicated in decision-making. We show that the dynamics of its mapped computations match those of neural activity in the sensorimotor cortex and striatum during decisions, and forecast those of basal ganglia output and thalamus. This also predicts which aspects of neural dynamics are and are not part of inference. Our single-equation algorithm is probabilistic, distributed, recursive, and parallel. Its success at capturing anatomy, behaviour, and electrophysiology suggests that the mechanism implemented by the brain has these same characteristics. PMID:29614077

Theoretical and Experimental Study of Inclusion Complexes of β-Cyclodextrins with Chalcone and 2',4'-Dihydroxychalcone.

PubMed

Sancho, Matias I; Andujar, Sebastian; Porasso, Rodolfo D; Enriz, Ricardo D

2016-03-31

The inclusion complexes formed by chalcone and 2',4'-dihydroxychalcone with β-cyclodextrin have been studied combining experimental (phase solubility diagrams, Fourier transform infrared spectroscopy) and molecular modeling (molecular dynamics, quantum mechanics/molecular mechanics calculations) techniques. The formation constants of the complexes were determined at different temperatures, and the thermodynamic parameters of the process were obtained. The inclusion of chalcone in β-cyclodextrin is an exothermic process, while the inclusion of 2',4'-dihydroxychalcone is endothermic. Free energy profiles, derived from umbrella sampling using molecular dynamics simulations, were constructed to analyze the binding affinity and the complexation reaction at a molecular level. Hybrid QM/MM calculations were also employed to obtain a better description of the energetic and structural aspects of the complexes. The intermolecular interactions that stabilize both inclusion complexes were characterized by means of quantum atoms in molecules theory and reduce density gradient method. The calculated interactions were experimentally observed using FTIR.

Blood flow and blood cell interactions and migration in microvessels

NASA Astrophysics Data System (ADS)

Fedosov, Dmitry; Fornleitner, Julia; Gompper, Gerhard

2011-11-01

Blood flow in microcirculation plays a fundamental role in a wide range of physiological processes and pathologies in the organism. To understand and, if necessary, manipulate the course of these processes it is essential to investigate blood flow under realistic conditions including deformability of blood cells, their interactions, and behavior in the complex microvascular network which is characteristic for the microcirculation. We employ the Dissipative Particle Dynamics method to model blood as a suspension of deformable cells represented by a viscoelastic spring-network which incorporates appropriate mechanical and rheological cell-membrane properties. Blood flow is investigated in idealized geometries. In particular, migration of blood cells and their distribution in blood flow are studied with respect to various conditions such as hematocrit, flow rate, red blood cell aggregation. Physical mechanisms which govern cell migration in microcirculation and, in particular, margination of white blood cells towards the vessel wall, will be discussed. In addition, we characterize blood flow dynamics and quantify hemodynamic resistance. D.F. acknowledges the Humboldt Foundation for financial support.

Structural basis for plant plasma membrane protein dynamics and organization into functional nanodomains.

PubMed

Gronnier, Julien; Crowet, Jean-Marc; Habenstein, Birgit; Nasir, Mehmet Nail; Bayle, Vincent; Hosy, Eric; Platre, Matthieu Pierre; Gouguet, Paul; Raffaele, Sylvain; Martinez, Denis; Grelard, Axelle; Loquet, Antoine; Simon-Plas, Françoise; Gerbeau-Pissot, Patricia; Der, Christophe; Bayer, Emmanuelle M; Jaillais, Yvon; Deleu, Magali; Germain, Véronique; Lins, Laurence; Mongrand, Sébastien

2017-07-31

Plasma Membrane is the primary structure for adjusting to ever changing conditions. PM sub-compartmentalization in domains is thought to orchestrate signaling. Yet, mechanisms governing membrane organization are mostly uncharacterized. The plant-specific REMORINs are proteins regulating hormonal crosstalk and host invasion. REMs are the best-characterized nanodomain markers via an uncharacterized moiety called REMORIN C-terminal Anchor. By coupling biophysical methods, super-resolution microscopy and physiology, we decipher an original mechanism regulating the dynamic and organization of nanodomains. We showed that targeting of REMORIN is independent of the COP-II-dependent secretory pathway and mediated by PI4P and sterol. REM-CA is an unconventional lipid-binding motif that confers nanodomain organization. Analyses of REM-CA mutants by single particle tracking demonstrate that mobility and supramolecular organization are critical for immunity. This study provides a unique mechanistic insight into how the tight control of spatial segregation is critical in the definition of PM domain necessary to support biological function.

Visualization and quantification of deformation processes controlling the mechanical response of alloys in aggressive environments

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

Robertson, Ian M.

The overall objective of this program was to develop the technique of electron tomography for studies of defects and to couple it with real time dynamic experiments such that four-dimensional (time and three spatial dimensions) characterization of dislocation interactions with defects is feasible and apply it to discovery of the fundamental unit processes of dislocation-defect interactions in metallic systems. Strategies to overcome the restrictions normally associated with electron tomography and to make it practical within the constraints of conducting a dynamic experiment in the transmission electron microscope were developed. These methods were used to determine the mechanism controlling the transfermore » of slip across grain boundaries in FCC and HCP metals, dislocation precipitate interactions in Al alloys, and dislocation-dislocation interactions in HCP Ti. In addition, preliminary investigations of slip transfer across cube-on-cube and incoherent twin interfaces in a multi-layered system, thermal stability of grains in nanongrained Ni and Fe, and on corrosion of Fe films were conducted.« less

Deformation Characteristics and Recrystallization Response of a 9310 Steel Alloy

NASA Astrophysics Data System (ADS)

Snyder, David; Chen, Edward Y.; Chen, Charlie C.; Tin, Sammy

2013-01-01

The flow behavior and recrystallization response of a 9310 steel alloy deformed in the ferrite temperature range were studied in this work. Samples were compressed under various conditions of strain (0.6, 0.8 and multi-axial), strain rate (10-4 seconds-1 to 10-1 seconds-1) and temperature [811 K to 1033 K (538 °C to 760 °C)] using a Gleeble thermo-mechanical simulator. Deformation was characterized by both qualitative and quantitative means, using standard microscopy, electron backscatter diffraction (EBSD) analysis and flow stress modeling. The results indicate that deformation is primarily accommodated through dynamic recovery in sub-grain formation. EBSD analysis shows a continuous increase in sub-grain boundary misorientation with increasing strain, ultimately producing recrystallized grains from the sub-grains at high strains. This suggests that a sub-grain rotation recrystallization mechanism predominates in this temperature range. Analyses of the results reveal a decreasing mean dynamically recrystallized grain size with increasing Zener-Hollomon parameter, and an increasing recrystallized fraction with increasing strain.

Discovering Coherent Structures Using Local Causal States

NASA Astrophysics Data System (ADS)

Rupe, Adam; Crutchfield, James P.; Kashinath, Karthik; Prabhat, Mr.

2017-11-01

Coherent structures were introduced in the study of fluid dynamics and were initially defined as regions characterized by high levels of coherent vorticity, i.e. regions where instantaneously space and phase correlated vorticity are high. In a more general spatiotemporal setting, coherent structures can be seen as localized broken symmetries which persist in time. Building off the computational mechanics framework, which integrates tools from computation and information theory to capture pattern and structure in nonlinear dynamical systems, we introduce a theory of coherent structures, in the more general sense. Central to computational mechanics is the causal equivalence relation, and a local spatiotemporal generalization of it is used to construct the local causal states, which are utilized to uncover a system's spatiotemporal symmetries. Coherent structures are then identified as persistent, localized deviations from these symmetries. We illustrate how novel patterns and structures can be discovered in cellular automata and outline the path from them to laminar, transitional and turbulent flows. Funded by Intel through the Big Data Center at LBNL and the IPCC at UC Davis.

Synchronization and Causality Across Time-scales: Complex Dynamics and Extremes in El Niño/Southern Oscillation

NASA Astrophysics Data System (ADS)

Jajcay, N.; Kravtsov, S.; Tsonis, A.; Palus, M.

2017-12-01

A better understanding of dynamics in complex systems, such as the Earth's climate is one of the key challenges for contemporary science and society. A large amount of experimental data requires new mathematical and computational approaches. Natural complex systems vary on many temporal and spatial scales, often exhibiting recurring patterns and quasi-oscillatory phenomena. The statistical inference of causal interactions and synchronization between dynamical phenomena evolving on different temporal scales is of vital importance for better understanding of underlying mechanisms and a key for modeling and prediction of such systems. This study introduces and applies information theory diagnostics to phase and amplitude time series of different wavelet components of the observed data that characterizes El Niño. A suite of significant interactions between processes operating on different time scales was detected, and intermittent synchronization among different time scales has been associated with the extreme El Niño events. The mechanisms of these nonlinear interactions were further studied in conceptual low-order and state-of-the-art dynamical, as well as statistical climate models. Observed and simulated interactions exhibit substantial discrepancies, whose understanding may be the key to an improved prediction. Moreover, the statistical framework which we apply here is suitable for direct usage of inferring cross-scale interactions in nonlinear time series from complex systems such as the terrestrial magnetosphere, solar-terrestrial interactions, seismic activity or even human brain dynamics.

Reducing I/O variability using dynamic I/O path characterization in petascale storage systems

DOE PAGES

Son, Seung Woo; Sehrish, Saba; Liao, Wei-keng; ...

2016-11-01

In petascale systems with a million CPU cores, scalable and consistent I/O performance is becoming increasingly difficult to sustain mainly because of I/O variability. Furthermore, the I/O variability is caused by concurrently running processes/jobs competing for I/O or a RAID rebuild when a disk drive fails. We present a mechanism that stripes across a selected subset of I/O nodes with the lightest workload at runtime to achieve the highest I/O bandwidth available in the system. In this paper, we propose a probing mechanism to enable application-level dynamic file striping to mitigate I/O variability. We also implement the proposed mechanism inmore » the high-level I/O library that enables memory-to-file data layout transformation and allows transparent file partitioning using subfiling. Subfiling is a technique that partitions data into a set of files of smaller size and manages file access to them, making data to be treated as a single, normal file to users. Here, we demonstrate that our bandwidth probing mechanism can successfully identify temporally slower I/O nodes without noticeable runtime overhead. Experimental results on NERSC’s systems also show that our approach isolates I/O variability effectively on shared systems and improves overall collective I/O performance with less variation.« less

Design and application of permanent magnet flux sources for mechanical testing of magnetoactive elastomers at variable field directions.

PubMed

Hiptmair, F; Major, Z; Haßlacher, R; Hild, S

2015-08-01

Magnetoactive elastomers (MAEs) are a class of smart materials whose mechanical properties can be rapidly and reversibly changed by an external magnetic field. Due to this tunability, they are useable for actuators or in active vibration control applications. An extensive magnetomechanical characterization is necessary for MAE material development and requires experiments under cyclic loading in uniform but variable magnetic fields. MAE testing apparatus typically rely on fields of adjustable strength, but fixed (transverse) direction, often provided by electromagnets. In this work, two permanent magnet flux sources were developed as an add-on for a modular test stand, to allow for mechanical testing in uniform fields of variable direction. MAE specimens, based on a silicone matrix with isotropic and anisotropic carbonyl iron particle distributions, were subjected to dynamic mechanical analysis under different field and loading configurations. The magneto-induced increase of stiffness and energy dissipation was determined by the change of the hysteresis loop area and dynamic modulus values. A distinct influence of the composite microstructure and the loading state was observed. Due to the very soft and flexible matrix used for preparing the MAE samples, the material stiffness and damping behavior could be varied over a wide range via the applied field direction and intensity.

Mechanisms of small molecule–DNA interactions probed by single-molecule force spectroscopy

PubMed Central

Almaqwashi, Ali A.; Paramanathan, Thayaparan; Rouzina, Ioulia; Williams, Mark C.

2016-01-01

There is a wide range of applications for non-covalent DNA binding ligands, and optimization of such interactions requires detailed understanding of the binding mechanisms. One important class of these ligands is that of intercalators, which bind DNA by inserting aromatic moieties between adjacent DNA base pairs. Characterizing the dynamic and equilibrium aspects of DNA-intercalator complex assembly may allow optimization of DNA binding for specific functions. Single-molecule force spectroscopy studies have recently revealed new details about the molecular mechanisms governing DNA intercalation. These studies can provide the binding kinetics and affinity as well as determining the magnitude of the double helix structural deformations during the dynamic assembly of DNA–ligand complexes. These results may in turn guide the rational design of intercalators synthesized for DNA-targeted drugs, optical probes, or integrated biological self-assembly processes. Herein, we survey the progress in experimental methods as well as the corresponding analysis framework for understanding single molecule DNA binding mechanisms. We discuss briefly minor and major groove binding ligands, and then focus on intercalators, which have been probed extensively with these methods. Conventional mono-intercalators and bis-intercalators are discussed, followed by unconventional DNA intercalation. We then consider the prospects for using these methods in optimizing conventional and unconventional DNA-intercalating small molecules. PMID:27085806

Anticipating epileptic seizures: from mathematics to clinical applications.

PubMed

Le Van Quyen, Michel

2005-02-01

The study of dynamical changes in the neural activity preceding an epileptic seizure allows the characterization of a preictal state several minutes prior to seizure onset. This opens new perspectives for studying the mechanisms of ictogenesis as well as for possible therapeutic interventions that represent a major breakthrough. In this review we present and discuss the results from our group in this domain using nonlinear analysis of brain signals, as well as its limitation and open questions.

Pathogenesis and treatment of HIV-1 infection: recent developments (Y2K update).

PubMed

Dewhurst, S L; da Cruz, R L; Whetter, L

2000-01-01

Human immunodeficiency virus type 1 (HIV-1) is the etiologic agent of acquired immunodeficiency syndrome (AIDS). The pathogenesis of HIV-1-induced disease is complex and characterized by the interplay of both viral and host factors, which together determine the outcome of infection. An improved understanding of the pathogenic mechanisms of AIDS, combined with recent insights into the dynamics of viral infection may provide powerful new opportunities for therapeutic intervention against this virus.

EFFECTS OF TRITIUM GAS EXPOSURE ON EPDM ELASTOMER

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

Clark, E.

2009-12-11

Samples of four formulations of ethylene-propylene diene monomer (EPDM) elastomer were exposed to initially pure tritium gas at one atmosphere and ambient temperature for various times up to about 420 days in closed containers. Two formulations were carbon-black-filled commercial formulations, and two were the equivalent formulations without filler synthesized for this work. Tritium effects on the samples were characterized by measuring the sample volume, mass, flexibility, and dynamic mechanical properties and by noting changes in appearance. The glass transition temperature was determined by analysis of the dynamic mechanical properties. The glass transition temperature increased significantly with tritium exposure, and themore » unfilled formulations ceased to behave as elastomers after the longest tritium exposure. The filled formulations were more resistant to tritium exposure. Tritium exposure made all samples significantly stiffer and therefore much less able to form a reliable seal when employed as O-rings. No consistent change of volume or density was observed; there was a systematic lowering of sample mass with tritium exposure. In addition, the significant radiolytic production of gas, mainly protium (H{sub 2}) and HT, by the samples when exposed to tritium was characterized by measuring total pressure in the container at the end of each exposure and by mass spectroscopy of a gas sample at the end of each exposure. The total pressure in the containers more than doubled after {approx}420 days tritium exposure.« less

All-electrical detection of spin dynamics in magnetic antidot lattices by the inverse spin Hall effect

DOE PAGES

Jungfleisch, Matthias B.; Zhang, Wei; Ding, Junjia; ...

2016-02-03

The understanding of spin dynamics in laterally confined structures on sub-micron length scales has become a significant aspect of the development of novel magnetic storage technologies. Numerous ferromagnetic resonance measurements, optical characterization by Kerr microscopy and Brillouin light scattering spectroscopy and x-ray studies were carried out to detect the dynamics in patterned magnetic antidot lattices. Here, we investigate Oersted-field driven spin dynamics in rectangular Ni80Fe20/Pt antidot lattices with different lattice parameters by electrical means. When the system is driven to resonance, a dc voltage across the length of the sample is detected that changes its sign upon field reversal, whichmore » is in agreement with a rectification mechanism based on the inverse spin Hall effect. Furthermore, we show that the voltage output scales linearly with the applied microwave drive in the investigated range of powers. Lastly, our findings have direct implications on the development of engineered magnonics applications and devices.« less

Fractional quantum mechanics on networks: Long-range dynamics and quantum transport

NASA Astrophysics Data System (ADS)

Riascos, A. P.; Mateos, José L.

2015-11-01

In this paper we study the quantum transport on networks with a temporal evolution governed by the fractional Schrödinger equation. We generalize the dynamics based on continuous-time quantum walks, with transitions to nearest neighbors on the network, to the fractional case that allows long-range displacements. By using the fractional Laplacian matrix of a network, we establish a formalism that combines a long-range dynamics with the quantum superposition of states; this general approach applies to any type of connected undirected networks, including regular, random, and complex networks, and can be implemented from the spectral properties of the Laplacian matrix. We study the fractional dynamics and its capacity to explore the network by means of the transition probability, the average probability of return, and global quantities that characterize the efficiency of this quantum process. As a particular case, we explore analytically these quantities for circulant networks such as rings, interacting cycles, and complete graphs.

Large interdomain rearrangement triggered by suppression of micro- to millisecond dynamics in bacterial Enzyme I

NASA Astrophysics Data System (ADS)

Venditti, Vincenzo; Tugarinov, Vitali; Schwieters, Charles D.; Grishaev, Alexander; Clore, G. Marius

2015-01-01

Enzyme I (EI), the first component of the bacterial phosphotransfer signal transduction system, undergoes one of the largest substrate-induced interdomain rearrangements documented to date. Here we characterize the perturbations generated by two small molecules, the natural substrate phosphoenolpyruvate and the inhibitor α-ketoglutarate, on the structure and dynamics of EI using NMR, small-angle X-ray scattering and biochemical techniques. The results indicate unambiguously that the open-to-closed conformational switch of EI is triggered by complete suppression of micro- to millisecond dynamics within the C-terminal domain of EI. Indeed, we show that a ligand-induced transition from a dynamic to a more rigid conformational state of the C-terminal domain stabilizes the interface between the N- and C-terminal domains observed in the structure of the closed state, thereby promoting the resulting conformational switch and autophosphorylation of EI. The mechanisms described here may be common to several other multidomain proteins and allosteric systems.

Fractional quantum mechanics on networks: Long-range dynamics and quantum transport.

PubMed

Riascos, A P; Mateos, José L

2015-11-01

In this paper we study the quantum transport on networks with a temporal evolution governed by the fractional Schrödinger equation. We generalize the dynamics based on continuous-time quantum walks, with transitions to nearest neighbors on the network, to the fractional case that allows long-range displacements. By using the fractional Laplacian matrix of a network, we establish a formalism that combines a long-range dynamics with the quantum superposition of states; this general approach applies to any type of connected undirected networks, including regular, random, and complex networks, and can be implemented from the spectral properties of the Laplacian matrix. We study the fractional dynamics and its capacity to explore the network by means of the transition probability, the average probability of return, and global quantities that characterize the efficiency of this quantum process. As a particular case, we explore analytically these quantities for circulant networks such as rings, interacting cycles, and complete graphs.

Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations.

PubMed

Lee, Mal-Soon; Peter McGrail, B; Rousseau, Roger; Glezakou, Vassiliki-Alexandra

2015-10-12

The boundary layer at solid-liquid interfaces is a unique reaction environment that poses significant scientific challenges to characterize and understand by experimentation alone. Using ab initio molecular dynamics (AIMD) methods, we report on the structure and dynamics of boundary layer formation, cation mobilization and carbonation under geologic carbon sequestration scenarios (T = 323 K and P = 90 bar) on a prototypical anorthite (001) surface. At low coverage, water film formation is enthalpically favored, but entropically hindered. Simulated adsorption isotherms show that a water monolayer will form even at the low water concentrations of water-saturated scCO2. Carbonation reactions readily occur at electron-rich terminal Oxygen sites adjacent to cation vacancies that readily form in the presence of a water monolayer. These results point to a carbonation mechanism that does not require prior carbonic acid formation in the bulk liquid. This work also highlights the modern capabilities of theoretical methods to address structure and reactivity at interfaces of high chemical complexity.

Dynamic Network Drivers of Seizure Generation, Propagation and Termination in Human Neocortical Epilepsy

PubMed Central

Khambhati, Ankit N.; Davis, Kathryn A.; Oommen, Brian S.; Chen, Stephanie H.; Lucas, Timothy H.; Litt, Brian; Bassett, Danielle S.

2015-01-01

The epileptic network is characterized by pathologic, seizure-generating ‘foci’ embedded in a web of structural and functional connections. Clinically, seizure foci are considered optimal targets for surgery. However, poor surgical outcome suggests a complex relationship between foci and the surrounding network that drives seizure dynamics. We developed a novel technique to objectively track seizure states from dynamic functional networks constructed from intracranial recordings. Each dynamical state captures unique patterns of network connections that indicate synchronized and desynchronized hubs of neural populations. Our approach suggests that seizures are generated when synchronous relationships near foci work in tandem with rapidly changing desynchronous relationships from the surrounding epileptic network. As seizures progress, topographical and geometrical changes in network connectivity strengthen and tighten synchronous connectivity near foci—a mechanism that may aid seizure termination. Collectively, our observations implicate distributed cortical structures in seizure generation, propagation and termination, and may have practical significance in determining which circuits to modulate with implantable devices. PMID:26680762

DDA3 associates with microtubule plus ends and orchestrates microtubule dynamics and directional cell migration

PubMed Central

Zhang, Liangyu; Shao, Hengyi; Zhu, Tongge; Xia, Peng; Wang, Zhikai; Liu, Lifang; Yan, Maomao; Hill, Donald L.; Fang, Guowei; Chen, Zhengjun; Wang, Dongmei; Yao, Xuebiao

2013-01-01

Cell motility and adhesion involve orchestrated interaction of microtubules (MTs) with their plus-end tracking proteins (+TIPs). However, the mechanisms underlying regulations of MT dynamics and directional cell migration are still elusive. Here, we show that DDA3-EB1 interaction orchestrates MT plus-end dynamics and facilitates directional cell migration. Biochemical characterizations reveal that DDA3 interacts with EB1 via its SxIP motif within the C-terminal Pro/Ser-rich region. Time-lapse and total internal reflection fluorescence (TIRF) microscopic assays demonstrate that DDA3 exhibits EB1-dependent, MT plus-end loading and tracking. The EB1-based loading of DDA3 is responsible for MT plus-ends stabilization at the cell cortex, which in turn orchestrates directional cell migration. Interestingly, the DDA3-EB1 interaction is potentially regulated by EB1 acetylation, which may account for physiological regulation underlying EGF-elicited cell migration. Thus, the EB1-based function of DDA3 links MT dynamics to directional cell migration. PMID:23652583

Charge modeling of ionic polymer-metal composites for dynamic curvature sensing

NASA Astrophysics Data System (ADS)

Bahramzadeh, Yousef; Shahinpoor, Mohsen

2011-04-01

A curvature sensor based on Ionic Polymer-Metal Composite (IPMC) is proposed and characterized for sensing of curvature variation in structures such as inflatable space structures in which using low power and flexible curvature sensor is of high importance for dynamic monitoring of shape at desired points. The linearity of output signal of sensor for calibration, effect of deflection rate at low frequencies and the phase delay between the output signal and the input deformation of IPMC curvature sensor is investigated. An analytical chemo-electro-mechanical model for charge dynamic of IPMC sensor is presented based on Nernst-Planck partial differential equation which can be used to explain the phenomena observed in experiments. The rate dependency of output signal and phase delay between the applied deformation and sensor signal is studied using the proposed model. The model provides a background for predicting the general characteristics of IPMC sensor. It is shown that IPMC sensor exhibits good linearity, sensitivity, and repeatability for dynamic curvature sensing of inflatable structures.

Statistical quasi-particle theory for open quantum systems

NASA Astrophysics Data System (ADS)

Zhang, Hou-Dao; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing

2018-04-01

This paper presents a comprehensive account on the recently developed dissipaton-equation-of-motion (DEOM) theory. This is a statistical quasi-particle theory for quantum dissipative dynamics. It accurately describes the influence of bulk environments, with a few number of quasi-particles, the dissipatons. The novel dissipaton algebra is then followed, which readily bridges the Schrödinger equation to the DEOM theory. As a fundamental theory of quantum mechanics in open systems, DEOM characterizes both the stationary and dynamic properties of system-and-bath interferences. It treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that could be experimentally measurable. Examples are the linear or nonlinear Fano interferences and the Herzberg-Teller vibronic couplings in optical spectroscopies. This review covers the DEOM construction, the underlying dissipaton algebra and theorems, the physical meanings of dynamical variables, the possible identifications of dissipatons, and some recent advancements in efficient DEOM evaluations on various problems. The relations of the present theory to other nonperturbative methods are also critically presented.

New Method for Characterizing the State of Optical and Opto-Mechanical Systems

NASA Technical Reports Server (NTRS)

Keski-Kuha, Ritva; Saif, Babak; Feinberg, Lee; Chaney, David; Bluth, Marcel; Greenfield, Perry; Hack, Warren; Smith, Scott; Sanders, James

2014-01-01

James Webb Space Telescope Optical Telescope Element (OTE) is a three mirror anastigmat consisting of a 6.5 m primary mirror (PM), secondary mirror (SM) and a tertiary mirror. The primary mirror is made out of 18 segments. The telescope and instruments will be assembled at Goddard Space Flight Center (GSFC) to make it the Optical Telescope Element-Integrated Science Instrument Module (OTIS). The OTIS will go through environmental testing at GSFC before being transported to Johnson Space Center for testing at cryogenic temperature. The objective of the primary mirror Center of Curvature test (CoC) is to characterize the PM before and after the environmental testing for workmanship. This paper discusses the CoC test including both a surface figure test and a new method for characterizing the state of the primary mirror using high speed dynamics interferometry.

Viscoelastic behaviour of hydrogel-based composites for tissue engineering under mechanical load.

PubMed

Kocen, Rok; Gasik, Michael; Gantar, Ana; Novak, Saša

2017-03-06

Along with biocompatibility, bioinductivity and appropriate biodegradation, mechanical properties are also of crucial importance for tissue engineering scaffolds. Hydrogels, such as gellan gum (GG), are usually soft materials, which may benefit from the incorporation of inorganic particles, e.g. bioactive glass, not only due to the acquired bioactivity, but also due to improved mechanical properties. They exhibit complex viscoelastic properties, which can be evaluated in various ways. In this work, to reliably evaluate the effect of the bioactive glass (BAG) addition on viscoelastic properties of the composite hydrogel, we employed and compared the three most commonly used techniques, analyzing their advantages and limitations: monotonic uniaxial unconfined compression, small amplitude oscillatory shear (SAOS) rheology and dynamic mechanical analysis (DMA). Creep and small amplitude dynamic strain-controlled tests in DMA are suggested as the best ways for the characterization of mechanical properties of hydrogel composites, whereas the SAOS rheology is more useful for studying the hydrogel's processing kinetics, as it does not induce volumetric changes even at very high strains. Overall, the results confirmed a beneficial effect of BAG (nano)particles on the elastic modulus of the GG-BAG composite hydrogel. The Young's modulus of 6.6 ± 0.8 kPa for the GG hydrogel increased by two orders of magnitude after the addition of 2 wt.% BAG particles (500-800 kPa).

Mechanical unfolding kinetics of the SRV-1 gag-pro mRNA pseudoknot: possible implications for -1 ribosomal frameshifting stimulation

NASA Astrophysics Data System (ADS)

Zhong, Zhensheng; Yang, Lixia; Zhang, Haiping; Shi, Jiahao; Vandana, J. Jeya; Lam, Do Thuy Uyen Ha; Olsthoorn, René C. L.; Lu, Lanyuan; Chen, Gang

2016-12-01

Minus-one ribosomal frameshifting is a translational recoding mechanism widely utilized by many RNA viruses to generate accurate ratios of structural and catalytic proteins. An RNA pseudoknot structure located in the overlapping region of the gag and pro genes of Simian Retrovirus type 1 (SRV-1) stimulates frameshifting. However, the experimental characterization of SRV-1 pseudoknot (un)folding dynamics and the effect of the base triple formation is lacking. Here, we report the results of our single-molecule nanomanipulation using optical tweezers and theoretical simulation by steered molecular dynamics. Our results directly reveal that the energetic coupling between loop 2 and stem 1 via minor-groove base triple formation enhances the mechanical stability. The terminal base pair in stem 1 (directly in contact with a translating ribosome at the slippery site) also affects the mechanical stability of the pseudoknot. The -1 frameshifting efficiency is positively correlated with the cooperative one-step unfolding force and inversely correlated with the one-step mechanical unfolding rate at zero force. A significantly improved correlation was observed between -1 frameshifting efficiency and unfolding rate at forces of 15-35 pN, consistent with the fact that the ribosome is a force-generating molecular motor with helicase activity. No correlation was observed between thermal stability and -1 frameshifting efficiency.

Magnetorheological response of highly filled magnetoactive elastomers from perspective of mechanical energy density: Fractal aggregates above the nanometer scale?

PubMed

Sorokin, Vladislav V; Belyaeva, Inna A; Shamonin, Mikhail; Kramarenko, Elena Yu

2017-06-01

The dynamic shear modulus of magnetoactive elastomers containing 70 and 80 mass % of carbonyl iron microparticles is measured as a function of strain amplitude via dynamic torsion oscillations in various magnetic fields. The results are presented in terms of the mechanical energy density and considered in the framework of the conventional Kraus model. The form exponent of the Kraus model is further related to a physical model of Huber et al. [Huber et al., J. Phys.: Condens. Matter 8, 409 (1996)10.1088/0953-8984/8/29/003] that uses a realistic representation for the cluster network possessing fractal structure. Two mechanical loading regimes are identified. At small strain amplitudes the exponent β of the Kraus model changes in an externally applied magnetic field due to rearrangement of ferromagnetic-filler particles, while at large strain amplitudes, the exponent β seems to be independent of the magnetic field. The critical mechanical energy characterizing the transition between these two regimes grows with the increasing magnetic field. Similarities between agglomeration and deagglomeration of magnetic filler under simultaneously applied magnetic field and mechanical shear and the concept of jamming transition are discussed. It is proposed that the magnetic field should be considered as an additional parameter to the jamming phase diagram of rubbers filled with magnetic particles.

Some issues for blast from a structural reactive material solid

NASA Astrophysics Data System (ADS)

Zhang, F.

2018-07-01

Structural reactive material (SRM) is consolidated from a mixture of micro- or nanometric reactive metals and metal compounds to the mixture theoretical maximum density. An SRM can thus possess a higher energy density, relying on various exothermic reactions, and higher mechanical strength and heat resistance than that of conventional CHNO explosives. Progress in SRM solid studies is reviewed specifically as an energy source for air blast through the reaction of fine SRM fragments under explosive loading. This includes a baseline SRM solid explosion characterization, material properties of an SRM solid, and its dynamic fine fragmentation mechanisms and fragment reaction mechanisms. The overview is portrayed mainly from the author's own experimental studies combined with theoretical and numerical explanation. These advances have laid down some fundamentals for the next stage of developments.