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 …
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
The atomic-scale structural rearrangement of glasses on applied stress is central to the
understanding of their macroscopic mechanical properties and behaviour. However …
understanding of their macroscopic mechanical properties and behaviour. However …
[HTML][HTML] From crystals to disordered crystals: A hidden order-disorder transition
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 …
solids. It becomes more significant with recent observations that solids with high structural …
Odd Cosserat elasticity in active materials
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 …
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
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 …
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 nonaffine response formalism for the viscoelasticity of amorphous solids. The …
On the existence of thermodynamically stable rigid solids
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 …
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
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 …
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 …
colloidal crystal grain. The full three-dimensional (3D) reciprocal space map measured by …
Nonaffinity of Liquid Networks and Bicontinuous Mesophases
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 …
structures take the form of high-symmetry cubic networks. Here, we show that the symmetry …