Related papers: Activated sampling in complex materials at finite …
We propose a highly feasible technique with no experimental overhead to rapidly cool the in-plane degrees of freedom of large two-dimensional ion crystals in Penning traps. Through simulations, we demonstrate that our approach enables the…
At temperatures well below their glass transition, the deformation properties of bulk metallic glasses are characterised by a sharp transition from elasticity to plasticity, a reproducible yield stress, and an approximately linear decrease…
We calculate the efficiency of a rejection-free dynamic Monte Carlo method for $d$-dimensional off-lattice homogeneous particles interacting through a repulsive power-law potential $r^{-p}$. Theoretically we find the algorithmic efficiency…
Characterising materials at pressures of several megabar and temperatures of a few thousand Kelvin is critical for the understanding of the Warm Dense Matter regime and to improve planetary models as these conditions are typical of planets'…
Simulations of the dynamic deformations of metal samples require elastic-plastic constitutive updates of the material behavior to be performed over a small time step between updates, as dictated by the Courant condition. Depending on the…
In this combined experimental and simulation study, we utilize bond-order topology to quantitatively match particle volume fraction in mechanically uniformly compressed colloidal suspensions with temperature in atomistic simulations. The…
Because most chemical or biological experiments are performed under conditions of controlled pressure and temperature, it is important to simulate the isobaric-isothermal ensemble at the atomic level to reveal the microscopic mechanism. By…
Molecular dynamics simulations have emerged as a fundamental instrument for studying biomolecules. At the same time, it is desirable to perform simulations of a collection of particles under various conditions in which the molecules can…
We investigate both analytically and by numerical simulation the kinetics of a microscopic model of hard rods adsorbing on a linear substrate, a model which is relevant for compaction of granular materials. The computer simulations use an…
The output of molecular dynamics simulations is high-dimensional, and the degrees of freedom among the atoms are related in intricate ways. Therefore, a variety of analysis frameworks have been introduced in order to distill complex motions…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
Existing continual learning literature relies heavily on a strong assumption that tasks arrive with a balanced data stream, which is often unrealistic in real-world applications. In this work, we explore task-imbalanced continual learning…
A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics…
We experimentally study the dynamics of active particles (APs) in a viscoelastic fluid under various geometrical constraints such as flat walls, spherical obstacles and cylindrical cavities. We observe that the main effect of the confined…
Mixed-monotone systems are separable via a decomposition function into increasing and decreasing components, and this decomposition function allows for embedding the system dynamics in a higher-order monotone embedding system. Embedding the…
Excitations of MHz acoustic modes are studied numerically in 10-um-thick silicon disk membranes with a radius of 100 and 500 um actuated by an attached 1-um-thick (AlSc)N thin-film transducer. It is shown how higher-harmonic membrane modes…
Learning from demonstration has proven effective in robotics for acquiring natural behaviors, such as stylistic motions and lifelike agility, particularly when explicitly defining style-oriented reward functions is challenging. Synthesizing…
The path probability method (PPM) in the tetrahedron-cactus approximation is applied to the Slater-Takagi model with dipole-dipole interaction for KH2PO4-type hydrogen-bonded ferroelectric crystals in order to derive a small dip structure…
Ultra-precision machining of metals, the breaking of nanowires under tensile stress and fracture of nanoscale materials are examples of technologically important processes which are both extremely difficult and costly to investigate…
We report a weighing metrology experiment of a single silica microsphere optically trapped and immersed in air. Based on fluctuations about thermal equilibrium, three different mass measurements are investigated, each arising from one of…