13 results match your criteria: "Center for Computational Sciences and Engineering[Affiliation]"
Phys Rev E
May 2024
Graduate Aerospace Laboratories and Department of Applied Physics, California Institute of Technology, Pasadena, California 91125, USA.
Phys Rev E
October 2023
Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
Static structure factors are computed for large-scale, mechanically stable, jammed packings of frictionless spheres (three dimensions) and disks (two dimensions) with broad, power-law size dispersity characterized by the exponent -β. The static structure factor exhibits diverging power-law behavior for small wave numbers, allowing us to identify a structural fractal dimension d_{f}. In three dimensions, d_{f}≈2.
View Article and Find Full Text PDFJ Chem Phys
October 2023
Center for Computational Sciences and Engineering, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
Dissociative adsorption onto a surface introduces dynamic correlations between neighboring sites not found in non-dissociative absorption. We study surface coverage dynamics where reversible dissociative adsorption of dimers occurs on a finite linear lattice. We derive analytic expressions for the equilibrium surface coverage as a function of the number of reactive sites, N, and the ratio of the adsorption and desorption rates.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
July 2023
Department of Physics and Astronomy, San Jose State University, San Jose, CA 95192.
The Rayleigh-Plateau instability occurs when surface tension makes a fluid column become unstable to small perturbations. At nanometer scales, thermal fluctuations are comparable to interfacial energy densities. Consequently, at these scales, thermal fluctuations play a significant role in the dynamics of the instability.
View Article and Find Full Text PDFPhys Rev E
January 2023
Center for Computational Sciences and Engineering, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
We present a numerical formulation for the solution of nonisothermal, compressible Navier-Stokes equations with thermal fluctuations to describe mesoscale transport phenomena in multispecies fluid mixtures. The novelty of our numerical method is the use of staggered grid momenta along with a finite volume discretization of the thermodynamic variables to solve the resulting stochastic partial differential equations. The key advantages of the numerical scheme are that it significantly simplifies the discretization of diffusive and stochastic momentum fluxes into a more compact form, and it provides an unambiguous prescription of boundary conditions involving pressure.
View Article and Find Full Text PDFPhys Rev E
September 2022
Courant Institute of Mathematical Sciences, New York University, New York, New York 10012, USA.
In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the discrete ion stochastic continuum overdamped solvent (DISCOS) algorithm was derived for triply periodic domains, and was validated through ion-ion pair correlation functions and Debye-Hückel-Onsager theory for conductivity, including the Wien effect for strong electric fields. In extending this approach to include an accurate treatment of physical boundaries we must address several important issues.
View Article and Find Full Text PDFPhys Rev E
September 2022
Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
Due to significant computational expense, discrete element method simulations of jammed packings of size-dispersed spheres with size ratios greater than 1:10 have remained elusive, limiting the correspondence between simulations and real-world granular materials with large size dispersity. Invoking a recently developed neighbor binning algorithm, we generate mechanically stable jammed packings of frictionless spheres with power-law size distributions containing up to nearly 4 000 000 particles with size ratios up to 1:100. By systematically varying the width and exponent of the underlying power laws, we analyze the role of particle size distributions on the structure of jammed packings.
View Article and Find Full Text PDFSci Rep
March 2022
Aeronautics and Astronautics, Stanford University, Stanford, 94305, CA, USA.
The polarizability of atoms and molecules gives rise to optical forces that trap particles and a refractive index that guides light beams, potentially leading to a self-guided laser and particle beam propagation. In this paper, the mutual interactions between an expanding particle beam and a diffracting light beam are investigated using an axisymmetric particle-light coupled simulation. The nonlinear coupling between particles and photons is dependent on the particle beam radius, particle density, particle velocity and temperature, polarizability, light beam waist, light frequency (with respect to the resonance frequency), and light intensity.
View Article and Find Full Text PDFNat Commun
February 2022
Berkeley Center for Theoretical Physics, University of California, Berkeley, CA, 94720, USA.
Axions are hypothetical particles that may explain the observed dark matter density and the non-observation of a neutron electric dipole moment. An increasing number of axion laboratory searches are underway worldwide, but these efforts are made difficult by the fact that the axion mass is largely unconstrained. If the axion is generated after inflation there is a unique mass that gives rise to the observed dark matter abundance; due to nonlinearities and topological defects known as strings, computing this mass accurately has been a challenge for four decades.
View Article and Find Full Text PDFPhys Rev Lett
December 2021
Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
Despite there being an infinite variety of types of flow, most rheological studies focus on a single type such as simple shear. Using discrete element simulations, we explore bulk granular systems in a wide range of flow types at large strains and characterize invariants of the stress tensor for different inertial numbers and interparticle friction coefficients. We identify a strong dependence on the type of flow, which grows with increasing inertial number or friction.
View Article and Find Full Text PDFSoft Matter
January 2022
Sandia National Laboratories, Albuquerque, NM 87185, USA.
Flowing granular materials often abruptly arrest if not driven by sufficient applied stresses. Such abrupt cessation of motion can be economically expensive in industrial materials handling and processing, and is significantly consequential in intermittent geophysical phenomena such as landslides and earthquakes. Using discrete element simulations, we calculate states of steady flow and arrest for granular materials under the conditions of constant applied pressure and shear stress, which are also most relevant in practice.
View Article and Find Full Text PDFNano Lett
September 2021
Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628CJ Delft, The Netherlands.
The resonance frequency of membranes depends on the gas pressure due to the squeeze-film effect, induced by the compression of a thin gas film that is trapped underneath the resonator by the high-frequency motion. This effect is particularly large in low-mass graphene membranes, which makes them promising candidates for pressure-sensing applications. Here, we study the squeeze-film effect in single-layer graphene resonators and find that their resonance frequency is lower than expected from models assuming ideal compression.
View Article and Find Full Text PDFPhys Rev E Stat Nonlin Soft Matter Phys
July 2007
Center for Computational Sciences and Engineering, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
The Landau-Lifshitz Navier-Stokes (LLNS) equations incorporate thermal fluctuations into macroscopic hydrodynamics by using stochastic fluxes. This paper examines explicit Eulerian discretizations of the full LLNS equations. Several computational fluid dynamics approaches are considered (including MacCormack's two-step Lax-Wendroff scheme and the piecewise parabolic method) and are found to give good results for the variance of momentum fluctuations.
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