Related papers: Model for crystallization kinetics: Deviations fro…
Disorder and homogeneity are two concepts that refer to spatial variation of the system potential. In condensed-matter systems disorder is typically divided into two types; those with local parameters varying from site to site (diagonal…
This study is inspired by the recent development of "virtual material testing laboratory" in which the main equipment is a full field crystal plasticity modeling tool. Ample examples have demonstrated its applications to sheet forming…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
We use computer simulations to study the microscopic dynamics of an athermal assembly of soft particles near the fluid-to-solid, jamming transition. Borrowing tools developed to study dynamic heterogeneity near glass transitions, we…
The process of homogeneous crystal nucleation has been considered in a model liquid, where the interparticle interaction is described by a short-range spherical oscillatory potential. Mechanisms of initiating structural ordering in the…
We directly visualize a two-dimensional anisotropic Wigner crystal and its quantum melting in monolayer 1T-ReSe2 using non-invasive scanning tunnelling microscopy. In crystals with anisotropic effective mass, an electron's quantum…
We study the time dependence of the grain size distribution N(r,t) during crystallization of a d-dimensional solid. A partial differential equation including a source term for nuclei and a growth law for grains is solved analytically for…
We consider two minimal models of active fluid droplets that exhibit complex dynamics including steady motion, deformation, rotation and oscillating motion. First we consider a droplet with a concentration of active contractile matter…
We present a numerical study of the asymmetric dumbbell model consisting of ``molecules'' constructed as two different-sized Lennard-Jones spheres connected by a rigid bond. In terms of the largest (A) particle radius, we report data for…
We performed density functional theory and tight-binding molecular dynamics calculations to investigate the formation of suspended linear atom chains when stretching gold nanowires along the [110] crystal orientation. We determined that…
A simulation study demonstrates that localization can arise as the result of the breakdown of stable quasi-crystal-like atomic configurations. Samples produced at elevated quench rates and via more energetic processes contain a lower…
Motivated by recent experimental observations [U. Delabre et al, Langmuir 24, 3998, 2008] we reconsider an instability of ultrathin nematic films, spread on liquid substrates. Within a continuum elastic theory of liquid crystals, in the…
The existence of phase transitions from liquid to gas phases in asymmetric nuclear matter (ANM) is related with the instability regions which are limited by the spinodals. In this work we investigate the instabilities in ANM described…
A continuum field theory approach is presented for modeling elastic and plastic deformation, free surfaces and multiple crystal orientations in non-equilibrium processing phenomena. Many basic properties of the model are calculated…
We curate a large-scale dataset of low frequency dielectric anisotropy values for low molecular weight liquid crystals. Using this dataset, we demonstrate that supervised machine-learning models can predict dielectric anisotropy with…
This paper unravels micromechanical aspects of metallic materials whose microstructure comprises grains of two or more phases. The local plastic response is determined by (i) the relative misorientation of the slip systems of individual…
Mechanical deformation of amorphous solids can be described as consisting of an elastic part in which the stress increases linearly with strain, up to a yield point at which the solid either fractures or starts deforming plastically. It is…
A microscopic picture of the ``preparation'' of a crystal to the transition to liquid state at the approach to melting temperature is proposed. Basing on simple crystallogeometric considerations and the analysis of the computational results…
In this paper the relationship between the density functional theory of freezing and phase field modeling is examined. More specifically a connection is made between the correlation functions that enter density functional theory and the…
Conformational changes drive protein function, including catalysis, allostery, and signaling. X-ray diffuse scattering from protein crystals has frequently been cited as a probe of these correlated motions, with significant potential to…