Related papers: Efficient Simulation of Temperature Evolution of O…
Traveling wave theory is deployed today to improve the monitoring of transmission lines in electrical power grids. Most traveling wave methods require prior knowledge of the wave propagation of the transmission line, which is a major source…
Dynamical crossover in water is studied by means of computer simulation. The crossover temperature is calculated from the behavior of velocity autocorrelation functions. The results are compared with experimental data. It is shown that the…
Recent reports of superconductivity in the vicinity of room temperature have been the subject of discussion by the community. Specifically, features in the resistance-temperature (R-T) relations have raised questions. We show that many of…
A central object in the computational studies of rare events is the committor function. Though costly to compute, the committor function encodes complete mechanistic information of the processes involving rare events, including reaction…
The glass transition of supercooled fluids is a particular challenge for computer simulation, because the (longest) relaxation times increase by about 15 decades upon approaching the transition temperature T_g. Brute-force molecular…
Bulk thermal conductivity estimates based on predictions from non-equilibrium molecular dynamics (NEMD) using the so-called direct method are known to be severely under-predicted since finite simulation length-scales are unable to mimic…
Active thermal control is crucial in achieving the required accuracy and throughput in many industrial applications, e.g., in the medical industry, high-power lighting industry, and semiconductor industry. Thermoelectric Modules (TEMs) can…
In this paper we introduce a method to resolve transient excitations in time-frequency space from molecular dynamics simulations. Our technique is based on continuous wavelet transform of velocity time series coupled to a…
We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…
Projects are finite terminating endeavors with distinctive outcomes, usually, occurring under transient conditions. Nevertheless, most estimation, planning, and scheduling approaches overlook the dynamics of project-based systems in…
We introduce a propagation-based approach to thermal state simulation by adapting Pauli and Majorana propagation to imaginary-time evolution in the Schr\"odinger picture. Our key observation is that high-temperature states can be sparse in…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
Context: Thermal conductivity provides important contributions to the energy evolution of the upper solar atmosphere, behaving as a non-linear concentration-dependent diffusion equation. Recently, different methods have been offered as…
Thermal or temperature management in modern machines has drawn great attentions in the last decades. The waste heat caused during the machine operation is particularly pernicious for the temperature-dependent electronics and may reduce the…
Transition path sampling (TPS), which involves finding probable paths connecting two points on an energy landscape, remains a challenge due to the complexity of real-world atomistic systems. Current machine learning approaches use…
Innovative numerical scheme studied in this work enables to overcome two main limitations of Building Performance Simulation (BPS) programs as high computational cost and the choice of a very fine numerical grid. The method, called…
The recently introduced multisite tensor network path integral (MS-TNPI) method [Bose and Walters, J. Chem. Phys., 2022, 156, 24101.] for simulation of quantum dynamics of extended systems has been shown to be effective in studying…
Passively cooled base stations (PCBSs) have emerged to deliver better cost and energy efficiency. However, passive cooling necessitates intelligent thermal control via traffic management, i.e., the instantaneous data traffic or throughput…
We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Weber potentials via artificial neural networks. Our findings…
Time domain simulation is the basis of dynamic security assessment for power systems. Traditionally, numerical integration methods are adopted by simulation software to solve nonlinear power system differential-algebraic equations about any…