An appraisal of computer simulation approaches in elucidating biomolecular recognition pathways

N Ahalawat, J Mondal - The Journal of Physical Chemistry Letters, 2020 - ACS Publications
Computer simulation approaches in biomolecular recognition processes have come a long
way. In this Perspective, we highlight a series of recent success stories in which computer …

Non-affine atomic rearrangement of glasses through stress-induced structural anisotropy

J Dong, H Peng, H Wang, Y Tong, Y Wang… - Nature Physics, 2023 - nature.com
The atomic-scale structural rearrangement of glasses on applied stress is central to the
understanding of their macroscopic mechanical properties and behaviour. However …

[HTML][HTML] From crystals to disordered crystals: A hidden order-disorder transition

H Tong, P Tan, N Xu - Scientific reports, 2015 - nature.com
To distinguish between order and disorder is of fundamental importance to understanding
solids. It becomes more significant with recent observations that solids with high structural …

Odd Cosserat elasticity in active materials

P Surówka, A Souslov, F Jülicher, D Banerjee - Physical Review E, 2023 - APS
Stress-strain constitutive relations in solids with an internal angular degree of freedom can
be modeled using Cosserat (also called micropolar) elasticity. In this paper, we explore …

Brittle yielding in supercooled liquids below the critical temperature of mode coupling theory

K Lamp, N Küchler, J Horbach - The Journal of Chemical Physics, 2022 - pubs.aip.org
Molecular dynamics computer simulations of a polydisperse soft-sphere model under shear
are presented. The starting point for these simulations are deeply supercooled samples far …

Theory of sound attenuation in amorphous solids from nonaffine motions

M Baggioli, A Zaccone - Journal of Physics: Condensed Matter, 2022 - iopscience.iop.org
We present a theoretical derivation of acoustic phonon damping in amorphous solids based
on the nonaffine response formalism for the viscoelasticity of amorphous solids. The …

On the existence of thermodynamically stable rigid solids

P Nath, S Ganguly, J Horbach… - Proceedings of the …, 2018 - National Acad Sciences
Customarily, crystalline solids are defined to be rigid since they resist changes of shape
determined by their boundaries. However, rigid solids cannot exist in the thermodynamic …

Nucleation theory for yielding of nearly defect-free crystals: Understanding rate dependent yield points

VS Reddy, P Nath, J Horbach, P Sollich, S Sengupta - Physical Review Letters, 2020 - APS
Experiments and simulations show that when an initially defect-free rigid crystal is subjected
to deformation at a constant rate, irreversible plastic flow commences at the so-called yield …

Revealing three-dimensional structure of an individual colloidal crystal grain by coherent X-Ray diffractive imaging

AG Shabalin, JM Meijer, R Dronyak, OM Yefanov… - Physical review …, 2016 - APS
We present results of a coherent x-ray diffractive imaging experiment performed on a single
colloidal crystal grain. The full three-dimensional (3D) reciprocal space map measured by …

Nonaffinity of Liquid Networks and Bicontinuous Mesophases

MS Dimitriyev, X Feng, EL Thomas, GM Grason - Physical Review Letters, 2024 - APS
Amphiphiles self-assemble into a variety of bicontinuous mesophases whose equilibrium
structures take the form of high-symmetry cubic networks. Here, we show that the symmetry …