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The propagation of a shock wave in solids can stress them to ultra-high pressures of millions of atmospheres. Understanding the behavior of matter at these extreme pressures is essential to describe a wide range of physical phenomena,…
Understanding temperature-dependent hardness of covalent materials is not only of fundamental scientific interest, but also of crucial importance for technical applications. In this work, a temperature-dependent hardness formula for…
We investigate the basic thermal, mechanical and structural properties of body centred cubic iron ($\alpha$-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in conjunction with the embedded-atom…
The pressure-induced structural transition from graphite to diamond is investigated by semi-empirical molecular dynamics simulation. The result shows that the graphite-diamond transition is a cooperative process with large fluctuation. We…
We develop a computational method for evaluating the damping of vibrational modes in mono-atomic metallic chains suspended between bulk crystals under external strain. The damping is due to the coupling between the chain and contact modes…
Monte Carlo simulations, supplemented by ab initio calculations, shed light into the energetics and thermodynamic stability of nanostructured amorphous carbon. The interaction of the embedded nanocrystals with the host amorphous matrix is…
Topological phases and transitions are of fundamental importance in physics, which provide a deep insight into the understanding of materials. Recently, non-Abelian topological transitions have been investigated in Hermitian systems,…
A few paradigmatic one-dimensional lattice-statistical spin models have recently attracted a vigorous scientific interest owing to their peculiar thermodynamic behavior, which is highly reminiscent of a temperature-driven phase transition.…
Electric-field-induced ion heating is a major obstacle in scalable trapped-ion quantum computing. We present a theoretical study of a novel 3D-printed ion trap with a skeleton electrode structure, designed to reduce heating by minimizing…
Recent work has shown that ions are strongly coupled in atmospheric pressure plasmas when the ionization fraction is sufficiently large, leading to a temperature increase from disorder-induced heating that is not accounted for in standard…
The thermalization of an isolated quantum system is described by quantum mechanics and thermodynamics, while these two subjects are still not fully consistent with each other. This leaves a less-explored region where both quantum and…
We identify the possibility of realizing higher order topological (HOT) phases in noncrystalline or amorphous materials. Starting from two and three dimensional crystalline HOT insulators, accommodating topological corner states, we…
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…
Non-uniform temperature fields are analyzed, which arise in the problems of formation of the steady shock wave at impact and ramp loading of metals, exit of the steady shock wave to the free surface, and the shock wave passing through the…
The interaction of energetic ions with the electronic and ionic system of target materials is an interesting but challenging multi-scale problem and understanding of the early stages after impact of heavy, initially charged ions is…
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential),…
In the preceding paper, we developed an athermal shear-transformation-zone (STZ) theory of amorphous plasticity. Here we use this theory in an analysis of numerical simulations of plasticity in amorphous silicon by Demkowicz and Argon (DA).…
We study numerically an atomistic model which is shown to exhibit a one--step crystal--to--amorphous transition upon decompression. The amorphous phase cannot be distinguished from the one obtained by quenching from the melt. For a…
We use recent theoretical advances to develop a new functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include a novel analysis of elastic properties for the diamond and graphitic structures…
We theoretically analyze the efficiency of a protocol for creating mesoscopic superpositions of ion chains, described in [Phys. Rev. A 84, 063821 (2011)], as a function of the temperature of the crystal. The protocol makes use of…