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Crystalline defects critically influence material properties, necessitating accurate simulation methods. Existing approaches, from atomic-scale configurations to continuum elasticity, face inherent limitations in modeling…
We study by molecular dynamics simulations the thermodynamics of an anomalous fluid confined in a slit pore with one wall structured and attractive and another unstructured and repulsive. We find that the phase diagram of the homogeneous…
We present a new algorithm for anomaly detection called Anomaly Awareness. The algorithm learns about normal events while being made aware of the anomalies through a modification of the cost function. We show how this method works in…
Many additive manufacturing (AM) technologies rely on powder feedstock, which is fused to form the final part either by melting or by chemical binding with subsequent sintering. In both cases, process stability and resulting part quality…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
The effect of randomness on critical behavior is a crucial subject in condensed matter physics due to the the presence of impurity in any real material. We presently probe the critical behaviour of the antiferromagnetic (AF) Ising model on…
We show analytically that there is anomalous diffusion when the diffusion constant depends on the concentration as a power law with a positive exponent or a negative exponent with absolute value less than one and the initial condition is a…
Understanding the thermodynamics of radiation and the quantum-mechanical interactions between light and matter is important both for theoretical purposes and for technological advances, such as determining the limits of key processes like…
There is current interest in developing photoactive materials that deform on illumination and can thus be used for photomechanical actuation. This is attractive since it can be affected at a distance, different frequencies can be used to…
Turbulent, relativistic nonthermal plasmas are ubiquitous in high-energy astrophysical systems, as inferred from broadband nonthermal emission spectra. The underlying turbulent nonthermal particle acceleration (NTPA) processes have…
A new direct air capture (DAC) technology uses a moisture swing (MS) process with anion exchange membranes, potentially offering a more energy-efficient way to remove CO2 from the air. In this MS process, the membrane absorbs CO2 as it…
A connection between kinetic processes and intermittent turbulence is observed in the solar wind plasma using measurements from the Wind spacecraft at 1 AU. In particular, kinetic effects such as temperature anisotropy and plasma heating…
We compute the dynamical structure factor S(q,tau) of an elastic medium where force dipoles appear at random in space and in time, due to `micro-collapses' of the structure. Various regimes are found, depending on the wave vector q and the…
We propose a time-dependent photonic structure, in which the carrier frequency of an optical pulse is shifted without changing its shape. The efficiency of the device takes advantage of slow group velocities of light attainable in periodic…
A dynamical approach, rather than the usual statistical approach, is taken to explore the physical mechanisms underlying the nonlinear transfer of energy, the damping of the turbulent fluctuations, and the development of coherent structures…
We study the radiative properties -- the Lamb shift, Purcell decay rate and the spontaneous emission dynamics -- of an artificial atom coupled to a long, multimode cavity formed by an array of Josephson junctions. Introducing a tunable…
We present results from a three-dimensional particle-in-cell simulation of plasma turbulence, resembling the plasma conditions found at kinetic scales of the solar wind. The spectral properties of the turbulence in the subion range are…
The asymmetric simple exclusion process (ASEP) with periodic boundary conditions is investigated for shuffled dynamics. In this type of update, in each discrete timestep the particles are updated in a random sequence. Such an update is…
Accurate prediction of adiabatic $0$-$0$ excited-state energies is crucial for modeling molecular photophysical processes. Here, we benchmark computational strategies for evaluating excited-state energies and singlet-triplet gaps obtained…
It was recently discovered that SWAP, a Monte Carlo algorithm that involves the exchange of pairs of particles of differing diameters, can dramatically accelerate the equilibration of simulated supercooled liquids in regimes where the…