Results 51 to 60 of about 1,407,302 (269)
Modeling Thermal Radiation in Combustion Environments: Progress and Challenges
Energies, 2023 Modeling thermal radiation in combustion environments can be extremely challenging for two main reasons. First, the radiative transfer equation (RTE), which is the cornerstone of modeling radiation in such environments, is a five-dimensional integro ...
Sandip Mazumder, Somesh P. Roy
doaj +1 more source
iScience, 2023 Summary: Modern heterogeneous catalysis has benefitted immensely from computational predictions of catalyst structure and its evolution under reaction conditions, first-principles mechanistic investigations, and detailed kinetic modeling, which are rungs
Ajin Rajan +3 more
doaj
Gels, 2019 Because of their inherent biocompatibility and tailorable network design, hydrogels meet an increasing interest as biomaterials for the fabrication of controlled drug delivery devices.
Tommaso Casalini, Giuseppe Perale
doaj +1 more source
Continuum and Molecular Modeling of Chemical Vapor Deposition at Nano-Scale Fibrous Substrates
Mathematical and Computational Applications, 2023 Chemical vapor deposition (CVD) is a common industrial process that incorporates a complex combination of fluid flow, chemical reactions, and surface deposition.
Himel Barua, Alex Povitsky
doaj +1 more source
Recommender Engine for Continuous Time Quantum Monte Carlo Methods [PDF]
Phys. Rev. E 95, 031301 (2017), 2016 Recommender systems play an essential role in the modern business world. They recommend favorable items like books, movies, and search queries to users based on their past preferences. Applying similar ideas and techniques to Monte Carlo simulations of physical systems boosts their efficiency without sacrificing accuracy.
arxiv +1 more source
VGAE-MCTS: a New Molecular Generative Model combining Variational Graph Auto-Encoder and Monte Carlo Tree Search [PDF]
, 2023 Hiroaki Iwata +5 more
+6 more sources
Hopping and microscopic dynamics of ultrasoft particles in cluster crystals
, 2010 We have investigated the slow dynamics of ultrasoft particles in crystalline cluster phases, where point particles interact through the generalized exponential potential u(r) = \epsilon \exp[-(r/\sigma)^n], focusing on the cluster fcc phase of this model
Coslovich, Daniele +2 more
core +2 more sources
Journal of Chemical Physics, 2013 We have developed a method to couple kinetic Monte Carlo simulations of surface reactions at a molecular scale to transport equations at a macroscopic scale. This method is applicable to steady state reactors.
C. Schaefer, A. Jansen
semanticscholar +1 more source
Plasma propulsion simulation using particles
, 2023 This perspective paper deals with an overview of particle-in-cell / Monte Carlo collision models applied to different plasma-propulsion configurations and scenarios, from electrostatic (E x B and pulsed arc) devices to electromagnetic (RF inductive ...
Cichocki, F. +4 more
core
Deuterium fractionation on interstellar grains studied with modified rate equations and a Monte Carlo approach [PDF]
, 2002 The formation of singly and doubly deuterated isotopomers of formaldehyde and of singly, doubly, and multiply deuterated isotopomers of methanol on interstellar grain surfaces has been studied with a semi-empirical modified rate approach and a Monte ...
Biham +35 more
core +2 more sources