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SAM, a plant-level system analysis tool for advanced reactors (SFR, LFR, MSR/FHR) is under development at Argonne. As a modern system code, SAM aims to improve the predictions of 3D flows relevant to reactor safety during transient…
The present research proposes a new memory-efficient method using diffusion models to inject turbulent inflow conditions into Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS) for various flow problems. A guided diffusion…
Compacted expansive clays are often considered as a possible buffer material in high-level deep radioactive waste disposals. After the installation of waste canisters, the engineered clay barriers are subjected to thermo-hydro-mechanical…
The grid-to-rod fretting (GTRF) problem in pressurized water reactors is a flow-induced vibration problem that results in wear and failure of the fuel rods in nuclear assemblies. In order to understand the fluid dynamics of GTRF and to…
We have developed a simulation tool to model self-limited processes such as atomic layer deposition and atomic layer etching inside reactors of arbitrary geometry. In this work, we have applied this model to two standard types of cross-flow…
Metallic glasses are promising materials with unique mechanical and thermal properties, but their atomic-scale dynamics remain challenging to understand. In this work, we develop a unified approach to investigate the glass transition and…
Microbial fuel cells (MFCs) perform wastewater treatment and electricity production through the conversion of organic matter using microorganisms. For practical applications, it has been suggested that greater efficiency can be achieved by…
The injection of hydrogen into the convection shell powered by helium burning during the core helium flash is commonly encountered during the evolution of metal-free and extremely metal-poor low-mass stars. With specifically designed…
The paper presents a numerical method for simulating flow and mechanics in fractured rock. The governing equations that couple the effects in the rock mass and in the fractures are obtained using the discrete fracture-matrix approach. The…
Ignition and combustion behavior in the second stage of a sequential combustor are investigated numerically at atmospheric pressure for pure CH4 fueling and for a CH4/H2 fuel blend in 24:1 mass ratio using Large Eddy Simulation (LES). Pure…
This work outlines a diffuse interface method for the study of fracture and fragmentation in ductile metals at high strain-rates in Eulerian finite volume simulations. The work is based on an existing diffuse interface method capable of…
Subsurface storage of CO2 is predicted to rise exponentially in response to the increasing levels of CO2 in the atmosphere. Large-scale CO2 injections into the subsurface require understanding of the potential for fluid flow through faults…
In this paper we consider various models of hydraulic hysteresis in invasive mercury porosimetry. For simulating the hydraulic hysteresis is used isotropic site percolation on three-dimensional square lattices with $(1, d)$-neighborhood.…
Penetration models and calculating algorithms are presented, describing the dynamics and fracture of composite armor shields penetrated by high-speed small arms. A shield considered consists of hard (metal or ceramic) facing and…
We present an accurate computational study of the electronic structure and lattice dynamics of solid molecular hydrogen at high pressure. The band-gap energies of the $C2/c$, $Pc$, and $P6_3/m$ structures at pressures of 250, 300, and 350…
In this article we address the three-dimensional modeling and simulation of biological ion channels using a continuum-based approach. Our multi-physics formulation self-consistently combines, to the best of our knowledge for the first time,…
The room temperature structure of aluminum, copper and gold infinite nanowires is studied. The molecular dynamics simulation method and the same type of the embedded atom potentials made by Voter and coworkers are used. It was found that…
In this work we examine the dispersion of conservative tracers (bromide and fluorescein) in an experimentally-constructed three-dimensional dual-porosity porous medium. The medium is highly heterogeneous ($\sigma_Y^2=5.7$), and consists of…
This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…
We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…