相关论文: Adjoint-Based Sensitivity Analysis of Steady Char …
Experimental realizations of self-propelled colloidal Janus particles exploit the conversion of free energy into directed motion. One route are phoretic mechanisms that can be modeled schematically as the interconversion of two chemical…
First-principles Markov Chain Monte Carlo sampling is used to investigate uncertainty quantification and uncertainty propagation in parameters describing hydrogen kinetics. Specifically, we sample the posterior distribution of thirty-one…
Utilizing rapidity-dependent measurements to map the QCD phase diagram provides a complementary approach to traditional beam-energy-dependent measurements around midrapidity. The changing nature of thermodynamic properties of QCD matter…
Causal inference with observational studies often suffers from unmeasured confounding, yielding biased estimators based on the unconfoundedness assumption. Sensitivity analysis assesses how the causal conclusions change with respect to…
Continuum solvent models have become a standard technique in the context of electronic structure calculations, yet, no implementations have been reported capable to perform molecular dynamics at solid-liquid interfaces. We propose here such…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…
Using Mathematica package, we derive analytical closed-form expressions for the shear and the bulk viscosity coefficients in multicomponent relativistic gases with constant cross sections, being the relativistic generalization for the hard…
Particle velocimetry is essential in solid fuel combustion studies, however, the accurate detection and tracking of particles in high Particle Number Density (PND) combustion scenario remain challenging. The current study advances the…
Distributed quantum sensing leverages quantum correlations among multiple sensors to enhance the precision of parameter estimation beyond classical limits. Most existing approaches target phase estimation and rely on a shared phase…
We present a phenomenological reduced-order model to capture the transition to thermoacoustic instability in turbulent combustors. The model is based on the framework of synchronization and considers the acoustic field and the unsteady heat…
Conventional approaches for simulating steady-state distributions of particles under diffusive and advective transport at high P\'eclet numbers involve solving the diffusion and advection equations in at least two dimensions. Here, we…
A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…
Separated flow transition is a very popular phenomenon in gas turbines, especially low-pressure turbines (LPT). Low-fidelity simulations are often used for gas turbine design. However, they are unable to predict separated flow transition…
We consider the problem of estimating parameter sensitivities for stochastic models of multiscale reaction networks. These sensitivity values are important for model analysis, and, the methods that currently exist for sensitivity estimation…
In this study, we introduce a sensitivity analysis methodology for stochastic systems in chemistry, where dynamics are often governed by random processes. Our approach is based on gradient estimation via finite differences, averaging…
We present an analytical emission model that accurately predicts the properties of effusive sources formed by long collimation tubes. By construction, it captures the full range of molecular flow, from the transparent flux regime, which…
We have designed 3D numerical simulations of a soft spheres model, with size polidispersity and in athermal conditions, to study the transient shear banding that occurs during yielding of jammed soft solids. We analyze the effects of…
In practical combustion systems, the high nonlinearity of the turbulent combustion process can result in unexpected behavior even for nominal operating conditions. This includes flame flashback in premixed gas turbines, engine unstart in…
Efficient computation of sensitivities is a promising approach for efficiently of designing and optimizing high voltage direct current cable joints. This paper presents the adjoint variable method for coupled nonlinear transient…
In the present work, accurate determination of single-particle ignition is focused on using high-speed optical diagnostics combined with machine learning approaches. Ignition of individual particles in a laminar flow reactor are visualized…