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Comparative molecular dynamics simulations of a hexamer cluster of the protic ionic liquid ethylammonium nitrate are performed using density functional theory (DFT) and density functional-based tight binding (DFTB) methods. The focus is on…

Chemical Physics · Physics 2017-03-24 Tobias Zentel , Oliver Kühn

Stretching of a protein by a fluid flow is compared to that in a force-clamp apparatus. The comparison is made within a simple topology-based dynamical model of a protein in which the effects of the flow are implemented using Langevin…

Biomolecules · Quantitative Biology 2009-11-13 P. Szymczak , Marek Cieplak

Here, we report measurements of detailed dynamic cohesive properties (DCPs) beyond the dynamic fracture toughness of a bicontinuously nanostructured copolymer, polyurea, under an extremely loading rate, from deep-learning analyses of a…

Materials Science · Physics 2022-04-27 Hanxun Jin , Tong Jiao , Rodney J. Clifton , Kyung-Suk Kim

Adhesive interactions between elastic structures such as graphene sheets, carbon nanotubes, and microtubules have been shown to exhibit hysteresis due to irrecoverable energy loss associated with bond breakage, even in static…

Biological Physics · Physics 2021-02-02 Edvin Memet , Feodor Hilitski , Zvonimir Dogic , L. Mahadevan

Background: Full-field, quantitative visualization techniques, such as digital image correlation (DIC), have unlocked vast opportunities for experimental mechanics. However, DIC has traditionally been a surface measurement technique, and…

Applied Physics · Physics 2024-10-24 Barry P Lawlor , Vatsa Gandhi , Guruswami Ravichandran

The development of traction-force microscopy, in the past two decades, has created the unprecedented opportunity of performing direct mechanical measurements on living cells as they adhere or crawl on uniform or micro-patterned substrates.…

Biological Physics · Physics 2019-10-25 Luca Giomi

We formulate and characterize a model to describe the dynamics of semiflexible polymers in the presence of activity due to motor proteins attached irreversibly to a substrate, and a transverse pulling force acting on one end of the…

Biological Physics · Physics 2016-02-12 Abhishek Chaudhuri , Debasish Chaudhuri

We apply a recently developed model of cytoskeletal force generation to study a cell intrinsic contractility, as well as its response to external loading. The model is based on a non-equilibrium thermodynamic treatment of the…

Subcellular Processes · Quantitative Biology 2015-06-19 Mirko Maraldi , Clara Valero , Krishna Garikipati

We study the deformation and slip-through of a heavy elastic beam suspended above two point supports and subject to an increasing body force -- an idealized model of a fibre trapped in the pores of a filter as flow strength increases, for…

Soft Condensed Matter · Physics 2025-11-06 Grace K. Curtis , Ian M. Griffiths , Dominic Vella

A model of protein-ligand binding kinetics in which slow solvent dynamics results from hydrophobic drying transitions is investigated. Molecular dynamics simulations show that solvent in the receptor pocket can fluctuate between wet and dry…

Soft Condensed Matter · Physics 2013-09-09 Jagannath Mondal , Joseph A. Morrone , B. J. Berne

This project is focused on investigating the structural performance of parts and structures produced using the latest additive manufacturing techniques. For additive manufacturing of test coupons, fused deposition modeling of…

Applied Physics · Physics 2025-03-25 Hunter Watts , Ryan Premo , Wayne Huberty , Chris Bounds , Han-Gyu Kim

Accurate measurements of kinetic rate constants for interacting biomolecules is crucial for understanding the mechanisms underlying intracellular signalling pathways. The magnitude of binding rates plays a very important molecular…

Quantitative Methods · Quantitative Biology 2013-12-02 Hugo B. Brandao , Hussain Sangji , Elvis Pandzic , Susanne Bechstedt , Gary J. Brouhard , Paul W. Wiseman

We report a detailed theoretical study of the structural, vibrational, and optical properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave…

Materials Science · Physics 2015-06-17 S. Appalakondaiah , G. Vaitheeswaran , S. Lebegue

We theoretically investigate the dynamic structure factor of a strongly interacting Fermi gas at the crossover from Bardeen-Cooper-Schrieffer superfluids to Bose-Einstein condensates, by developing an improved random phase approximation…

Quantum Gases · Physics 2017-01-06 Peng Zou , Franco Dalfovo , Rishi Sharma , Xia-Ji Liu , Hui Hu

Higher moments of net-proton Binder ratio, which is suggested to be a good experimental measurement to locate the QCD critical point, is measured in relativistic heavy ion collisions. We firstly estimate the effect of statistical…

Nuclear Theory · Physics 2015-05-30 Zhiming Li , Fengbo Xiong , Yuanfang Wu

Biopolymer Networks play an important role in coordinating and regulating collective cellular dynamics via a number of signaling pathways. Here, we investigate the mechanical response of a model biopolymer network due to the active…

Soft Condensed Matter · Physics 2016-11-23 Long Liang , Christopher Jones , Bo Sun , Yang Jiao

With the help of force spectroscopy, several analytical theories aim at estimating the rate coefficient of folding for various proteins. Nevertheless, a chief bottleneck lies in the fact that there is still no perfect consensus on how does…

Soft Condensed Matter · Physics 2020-04-30 Aviel Chaimovich , Christian Leitold , Christoph Dellago

A novel mathematical model for fiber-reinforced materials is proposed. It is based on a 1-dimensional beam model for the thin fiber structures, a flexible and general 3-dimensional elasticity model for the matrix and an overlapping domain…

Computational Engineering, Finance, and Science · Computer Science 2021-05-12 Ustim Khristenko , Stefan Schuß , Melanie Krüger , Felix Schmidt , Barbara Wohlmuth , Christian Hesch

In biological materials, strong binding despite an applied load force is often based on clusters of dynamic bonds that share the load. Different macroscopic behaviors have been described depending on whether the load is shared locally or…

Biological Physics · Physics 2025-09-11 Yannick Lüdemann , Stefan Klumpp , Komal Bhattacharyya

Understanding how stick-slip dynamics manifests in diverse physical conditions is a crucial topic in tribology. Although it has been extensively studied in simple frictional configurations, the characterization of stick-slip behavior in…

Soft Condensed Matter · Physics 2026-02-17 A. Plati , F. Restagno , C. Poulard
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