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Diffusion approximation provides weak approximation for stochastic gradient descent algorithms in a finite time horizon. In this paper, we introduce new tools motivated by the backward error analysis of numerical stochastic differential…
In this work, the rate law for inhomogeneous concentration distributions has been formulated, by applying spatial integration over the products of species concentrations. Reaction rates for typical reactions have been investigated by…
This work studies the dependence of the solution with respect to interface geometric perturbations in a multiscaled coupled Darcy flow system in direct variational formulation. A set of admissible perturbation functions and a sense of…
In recent years a number of authors have introduced methods to model the effects of radiation pressure feedback on flows of interstellar and intergalactic gas, and have posited that the forces exerted by stars' radiation output represents…
An efficient technique to simulate turbulent particle-laden flow at high mass loadings within the four-way coupled simulation regime is presented. The technique implements large eddy simulation, discrete phase simulation, a deterministic…
Flow in fractured porous media is of high relevance in a variety of geotechnical applications, given the fact that they ubiquitously occur in nature and that they can have a substantial impact on the hydraulic properties of rock. As a…
The precise control of complex reactions is critical for biological processes yet our inability to design for specific outcomes limits the development of synthetic analogues. Here, we leverage differentiable simulators to design nontrivial…
The requirements for accurate numerical simulation are increasing constantly. Modern high precision physics experiments now exceed the achievable numerical accuracy of standard commercial and scientific simulation tools. One example are…
Optimization and design of full-scale membrane distillation (MD) systems usually require Sherwood and Nusselt correlations that are developed from lab-scale systems. However, entrance effects in lab-scale systems can significantly impact…
We find that in simulations of quasi-statically sheared frictional disks, the shear jamming transition can be characterized by an abrupt jump in the number of force bearing contacts between particles. This mechanical coordination number…
Smoothed Dissipative Particle Dynamics (SDPD) is a mesoscopic method which allows to select the level of resolution at which a fluid is simulated. The aim of this work is to extend SDPD to chemically reactive systems.To this end, an…
We analyze hydrodynamic simulations of turbulent, star-forming molecular clouds that are post-processed with the photo-dissociation region astrochemistry code 3D-PDR. We investigate the sensitivity of 15 commonly applied turbulence…
Purpose - This paper presents a first step toward developing a comprehensive methodology for fully resolved numerical simulations of fusion deposition modeling. Design/methodology/approach - A front-tracking/finite volume method previously…
Direct numerical simulations of compressible turbulent channel flow at supersonic and hypersonic Mach numbers are performed using a thermally perfect gas model for CO$_2$. The objective is to assess the role of structure-preserving…
A major test of the capabilities of modern quantum simulators and NISQ devices is the reliable realization of gauge theories, which constitute a gold standard of implementational efficacy. In addition to unavoidable unitary errors,…
A new time discretization scheme for the numerical simulation of two-phase flow governed by a thermodynamically consistent diffuse interface model is presented. The scheme is consistent in the sense that it allows for a discrete in time…
The inherently high computational cost of iterative self-consistent-field (SCF) methods proves to be a critical issue delaying visual and haptic feedback in real-time quantum chemistry. In this work, we introduce two schemes for SCF…
This paper deals also with a problem of gas absorption accompanied by an instantaneous, irreversible reaction in the liquid layer. The well-known methods for calculating such processes are based usually on the certain amendments to…
The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…
The accurate and robust simulation of transcritical real-fluid effects is crucial for many engineering applications, such as fuel injection in internal combustion engines, rocket engines and gas turbines. For example, in diesel engines, the…