Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “SIMULATION METHODS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Reexamining supercritical gas adsorption theories in nano-porous shales under geological conditions

Adsorption is an important phenomenon in surface chemistry, especially for nano-porous shales. In the shale gas-in-place, adsorbed gas could contribute up to 85%. However, adsorption is hard to quantitatively characterize due to different adsorption mechanisms, patterns, surfaces, and pore sizes. Moreover, key thermodynamic parameters, such as the enthalpy of adsorption, are challenging to determine due to uncertainties in adsorbed gas densities used in constructing absolute isotherms. In this paper, we revisit the Brunauer, Emmett, and Teller (BET) model, analytically simplify Ono-Kondo (OK) models for subsurface shales, and compare commonly used mono- and multilayer adsorption models (e.g., Langmuir, supercritical Dubinin-Radushkevich (SDR), supercritical BET (SBET), and simplified OK (OKs) models) with recently proposed pressure-dependent adsorption densities to develop a practical and reliable methodology that can be used in the supercritical state, typical for subsurface black shale conditions.Three independent data sets were used for nitrogen and methane adsorption isotherms at different temperatures. Furthermore, we demonstrate that adsorption predicted by the SDR model is comparable or lower than that predicted by the SBET model, but higher than the amounts predicted by Langmuir and OK models. The nitrogen BET method tends to underestimate the accessible SSA for methane. Measurement of isosteric heat of adsorption is suggested instead of the experimental fitting method, due to the significant difference between the calculated results by two commonly used methods. Experimental fitting and simulation methods are also briefly reviewed to guide future research on shale gas adsorption.

58 GEOSCIENCES↗
DOE OSTI2014

A cellular automaton method to simulate the microstructure and evolution of low-enriched uranium (LEU) U–Mo/Al dispersion type fuel plates

Low-enriched uranium (LEU) fuel plates for high power materials test reactors (MTR) are composed of nominally spherical uranium-molybdenum (U-Mo) particles within an aluminum matrix. Fresh U-Mo particles typically range between 10 and 100 mu m in diameter, with particle volume fractions up to 50%. As the fuel ages, reaction-diffusion processes cause the formation and growth of interaction layers that surround the fuel particles. The growth rate depends upon the temperature and radiation environment. The cellular automaton algorithm described in this paper can synthesize realistic random fuel-particle structures and simulate the growth of the intermetallic interaction layers. Examples in the present paper pack approximately 1000 particles into three-dimensional rectangular fuel structures that are approximately 1 mm on each side. The computational approach is designed to yield synthetic microstructures consistent with images from actual fuel plates and is validated by comparison with empirical data on actual fuel plates. (C) 2014 Elsevier B.V. All rights reserved.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

The MUSIC Critical Benchmark and Nuclear Data

The Measurement of Uranium Subcritical and Critical (MUSIC) experiment was a series of measurements of critical and subcritical configurations of bare highly enriched uranium. The goal was to compare measurement methods, analysis techniques, and simulation methods across regimes of criticality and to provide high-quality validation of 235 U nuclear data. A benchmark evaluation of the two critical configurations of the MUSIC experiments will soon be published in the release of the International Criticality Safety Benchmark Evaluation Project Handbook. The recent execution of the experiment aids in proper quantification of model simplifications and all uncertainties associated with the experiment. Historical benchmark evaluations are heavily relied on for uranium nuclear data validation despite the fact that the same level of documentation and comparable uncertainty analysis may not be present. The MUSIC evaluation is less likely to include “unknown unknowns” that could impede accurately modeling the system. Presented are both highly detailed and very simplified models, which represent the experimental configurations accurately, aiding the users of the benchmark for nuclear data or transport code validation. The sensitivities of k eff to nuclear data and nuclear data–related uncertainties are very similar between this experiment and previous bare uranium sphere experiments. In addition, the nuclear data uncertainties to any nuclides other than 235 U are small. For all these reasons, the recently evaluated MUSIC benchmark critical configurations could prove very useful for 235 U nuclear data validation. Currently, major libraries have good agreement with the experimental results, within 200 pcm for all nuclear data libraries, and within one standard deviation of the experimental result for most. Suggested nuclear data adjustments based on MUSIC and Lady Godiva are also presented, with posterior improvements to both the agreement in k eff and the uncertainty associated with the nuclear data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Cosmology with second- and third-order shear statistics for the Dark Energy Survey: Methods and simulated analysis

We present a new pipeline designed for the robust inference of cosmological parameters using both second- and third-order shear statistics. We build a theoretical model for rapid evaluation of three-point correlations using our fastnc code and integrate it into the cosmosis framework. We measure the two-point functions 𝜉 ± and the full configuration-dependent three-point shear correlation functions across all auto- and cross-redshift bins. We compress the three-point functions into the mass aperture statistic ⟨ℳ$^{3}_{ap}$⟩ for a set of 796 simulated shear maps designed to model the Dark Energy Survey Year 3 data. We estimate from it the full covariance matrix and model the effects of intrinsic alignments, shear calibration biases and photometric redshift uncertainties. We apply scale cuts to minimize the contamination from the baryonic signal as modeled through hydrodynamical simulations. We find a significant improvement of 83% on the figure of merit in the Ω m − 𝑆 8 plane when we add the ⟨ℳ$^{3}_{ap}$⟩ data to 𝜉 ± . Here, we present our findings for all relevant cosmological and systematic uncertainty parameters and discuss the complementarity of third-order and second-order statistics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

New methods and simulations for cosmogenic induced spallation removal in Super-Kamiokande-IV

Radioactivity induced by cosmic muon spallation is a dominant source of backgrounds for 𝒪⁡(10 MeV) neutrino interactions in water Cherenkov detectors. In particular, it is crucial to reduce backgrounds to measure the solar neutrino spectrum and find neutrino interactions from distant supernovae. In this paper we introduce new techniques to locate muon-induced hadronic showers and efficiently reject spallation backgrounds. Applying these techniques to the solar neutrino analysis with an exposure of 2790 × 22.5 kton · day increases the signal efficiency by 12.6%, approximately corresponding to an additional year of detector running. Furthermore, we present the first spallation simulation at Super-Kamiokande, where we model hadronic interactions using fluka. The agreement between the isotope yields and shower pattern in this simulation and in the data gives confidence in the accuracy of this simulation, and thus opens the door to use it to optimize muon spallation removal in new data with gadolinium-enhanced neutron capture detection.

muons↗
DOE OSTI2014

Numerical Methods for Simulating the Reduction of Iron Ore in Blast Furnace Shaft

The blast furnace process is a counter-current moving bed chemical reactor to reduce iron oxides to iron, which involves complex transport phenomena and chemical reactions. The iron ore and coke are alternatively charged into the blast furnace, forming a layer by layer structural burden which is slowly descending in the counter-current direction of the ascending gas flow. We proposed a new methodology to efficiently simulate the gas and solid burden flow in the counter current moving bed in blast furnace shaft. The gas dynamics, burden movement, chemical reactions, heat and mass transfer between the gas phase and solid phase are included. Furthermore, the new methodology has been developed to explicitly consider the effects of the layer thickness thermally and chemically in the CFD model.

42 ENGINEERING↗
DOE OSTI2020

Dynamic Response of a Semiactive Suspension System with Hysteretic Nonlinear Energy Sink Based on Random Excitation by means of Computer Simulation

This paper aims to investigate the property and behavior of the hysteretic nonlinear energy sink (HNES) coupled to a half vehicle system which is a nine-degree-of-freedom, nonlinear, and semiactive suspension system in order to improve the ride comfort and increase the stability in shock mitigation by using the computer simulation method. The HNES model is a semiactive suspension device, which comprises the famous Bouc–Wen (B-W) model employed to describe the force produced by both the purely hysteretic spring and linear elastic spring of potentially negative stiffness connected in parallel, for the half vehicle system. Nine nonlinear motion equations of the half vehicle system are derived in terms of the seven displacements and the two dimensionless hysteretic variables, which are integrated numerically by employing the direct time integration method for studying both the variables of vertical displacements, velocities, accelerations, chassis pitch angle, and the ride comfort and driver safety, respectively, based on the bump and random road inputs of the pseudoexcitation method as excitation signal. Simulation results show that, compared with the HNES model and the magnetorheological (MR) model coupled to the half vehicle system, the ride comfort and stability have been evidently improved. A successful validation process has been performed, which indicated that both the ride comfort and driver safety properties of the HNES model coupled to half vehicle significantly improved.

Chen, Hui↗
DOE OSTI2025

Multiscale Molecular Dynamics Simulations: Accelerating Conformational Sampling of Biomolecular Systems by Iterating All-Atom and Coarse-Grained Simulations

We developed the atomistic-coarse-grained multiscale MD simulation method in the OpenMM simulation package by iterating between the all-atom (AA) and coarse-grained (CG) MD simulations to enhance the sampling of biomolecular conformations. As the free energy surfaces are flattened during CG MD simulations, we can accelerate the transitions between different low-energy conformations. The AA-CG-AA cycles are repeated, facilitating the accelerated sampling of biomolecular conformations at a CG level, while the finer atomistic interactions are refined with AA simulators.

Do, Hung Nguyen↗