相关论文: What Stabilizes the Intermediate Structure of an A…

When spatial constraint for the constituents (e.g., atom or particle) of system is once given, disordered structure for non-interacting system in equilibrium states is symmetric with respect to equiatomic composition. Meanwhile, when the…

We introduce an interpretable deep learning framework that predicts the cohesive energy of transition-metal alloys (TMAs) by embedding cohesion theory within graph neural networks (GNNs). Beyond accurate prediction of cohesive energy, a key…

We show using computer simulations and mean field theory that a system of particles in two dimensions, when confined laterally by a pair of parallel hard walls within a quasi one dimensional channel, possesses several anomalous structural…

We study phase segregation in a model alloy undergoing both ordering and decomposition, using computer simulations of Kawasaki exchange dynamics on a square lattice. Following a quench into the miscibility gap we observe an early stage in…

The shear-modulus and yield-stress of amorphous solids are important material parameters, with the former determining the rate of increase of stress under external strain and the latter being the stress value at which the material flows in…

The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest…

We consider the question of the amorphization of metallic alloys by melt quenching, as predicted by molecular dynamics simulations with semi-empirical potentials. The parametrization of the potentials is discussed on the example of the…

The yielding transition of amorphous materials is studied with a two-dimensional Hamiltonian model that allows both shear and volume deformations. The model is investigated as a function of the relative value of the bulk modulus $B$ with…

Symbiotic vortex-bright soliton structures with non-trivial topological charge in one component are found to be robust in immiscibel two-component superfluids, due to the effective potential created by a stable vortex in the other…

Many of the large structures of the cell, such as the cytoskeleton, are assembled and maintained far from equilibrium. We study the stabilities of various structures for a simple model of such a far-from-equilibrium organized assembly in…

Thin films of binary mixtures that interact through isotropic forces and directionally specific "hydrogen bonding" are considered through Monte Carlo simulations. We show, in good agreement with experiment, that the single phase of these…

External stress can accelerate molecular mobility of amorphous solids by several orders of magnitude. The changes in mobility are commonly interpreted through the Eyring model, which invokes an empirical activation volume whose origin…

We study the equilibrium configurations of a possibly asymmetric fluid-structure-interaction problem. The fluid is confined in a bounded planar channel and is governed by the stationary Navier-Stokes equations with laminar inflow and…

Recent experiments and simulations have demonstrated that particle-covered interfaces can exist in stable non-spherical shapes as a result of the steric jamming of the interfacially trapped particles, which confers the interface with…

Present work is a theoretical study on the stability of the thermotropic biaxial nematic liquid crystal phase in model systems. Its main aim is to present the phase diagrams of spatially uniform liquid mesophases and to identify the…

Harmonic stator-rotor coupling offers a promising approach for the interconnection of rotating subsystems in the simulation of electric machines. This paper studies the stability of discretization schemes based on harmonic coupling in the…

We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…

We study stability of axisymmetric liquid bridges between two axisymmetric solid bodies in the absence of gravity under arbitrary asymmetric perturbations which are expanded into a set of angular Fourier modes. We determine the stability…

We study the dynamics of a piecewise-linear second-order delay differential equation that is representative of feedback systems with relays (switches) that actuate after a fixed delay. The system under study exhibits strong…

The persistent problem posed by the glass transition is to develop a general atomic level description of a solidification process that is not associated with any change in the symmetry of the atomic structure. The answer proposed in this…