Related papers: NTMpy: An open source package for solving coupled …
This paper presents a 2D/3D Free Surface Lattice Boltzmann Method simulation package called LBfoam for the simulation of foaming processes. The model incorporates the essential physics of foaming phenomena: gas diffusion into nucleated…
The non-equilibrium process due to irreversible heat exchanges occurring during a temperature modulated differential scanning calorimetry experiment is investigated in detail. This enables us to define an experimental frequency dependent…
A systematic study of the effect of fragment$-$fragment interaction, quantum statistics, $\gamma$-feeding and collective flow is made in the extraction of the nuclear temperature from the double ratio of the isotopic yields in the…
Adaptive methods for derivation of analytical and numerical solutions of heat diffusion in one dimensional thin rod have investigated. Comperhensive comparsion analysis based on the homotopy perturbation method (HPM) and finite difference…
For a subclass of a general $\mathcal{PT}-$symmetric Hamiltonian obeying anti-commutation relation with its conjugate, a Hermitian basis is found that spans the bi-orthonormal energy eigenvectors. Using the modified projectors constructed…
Many physical phenomena, including thermalization in open quantum systems and quantum Gibbs sampling, are modeled by Lindbladians approximating a system weakly coupled to a bath. Understanding the convergence speed of these Lindbladians to…
Understanding the interactions between atoms and light is at the heart of atomic physics. Being able to `experiment' with various system parameters, produce plots of the results and interpret these is very useful, especially for those new…
The glass transition in amorphous poly(ethylene terephthalate) is studied by thermally stimulated depolarization currents (TSDC) and differential scanning calorimetry (DSC). The ability of TSDC to decompose a distributed relaxation, as the…
Fermipy is an open-source python framework that facilitates analysis of data collected by the Fermi Large Area Telescope (LAT). Fermipy is built on the Fermi Science Tools, the publicly available software suite provided by NASA for the LAT…
In this work, we present a software package in Python for high-throughput first-principles calculations of thermodynamic properties at finite temperatures, which we refer to as DFTTK (Density Functional Theory Tool Kit). DFTTK is based on…
Nonlinear mixed effects modeling is a powerful tool when analyzing data from several entities in an experiment. In this paper, we present NLMEModeling, a package for mixed effects modeling in Wolfram Mathematica. NLMEModeling supports mixed…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
Tkwant is a Python package for the simulation of quantum nanoelectronics devices to which external time-dependent perturbations are applied. Tkwant is an extension of the Kwant package (https://kwant-project.org/) and can handle the same…
We present an active cloaking method for the parabolic heat (and mass or light diffusion) equation that can hide both objects and sources. By active we mean that it relies on designing monopole and dipole heat source distributions on the…
For complex molecules, nuclear degrees of freedom can act as an environment for the electronic `system' variables, allowing the theory and concepts of open quantum systems to be applied. However, when molecular system-environment…
This work introduces ParAMS -- a versatile Python package that aims to make parameterization workflows in computational chemistry and physics more accessible, transparent and reproducible. We demonstrate how ParAMS facilitates the parameter…
Single molecule spectroscopy aims at unveiling often hidden but potentially very important contributions of single entities to a system's ensemble response. Albeit contributing tremendously to our ever growing understanding of molecular…
An equation based reduced order model applicable to generalized heat equation and thermal simulations of power electronics systems developed in commercial CFD tools, is presented in this work. The model considers the physics of heat…
We study the emission and absorption spectra due to various photon and pair processes in a non-equilibrium pair plasma containing a significant density of photons. We present here some preliminary results from Monte-Carlo simulations. These…
In this paper, diffusion in polymer solutions undergoing evaporation of solvent is modeled as a coupled heat and mass transfer problem with moving boundary condition within the framework of nonequilibrium thermodynamics. The proposed…