SEARCH · Engineering Papers
Results for “Simulators”
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.
Simulation of 15% and 50% Thermal Power Dispatch to an Industrial Facility Using a Flexible Generic Full-Scope Pressurized Water Reactor Plant Simulator
Nuclear power plants in the United States are increasingly challenged to compete in wholesale electricity markets due to the low electricity costs and increasingly dynamic grid conditions from competing generation sources. An alternative market for nuclear power is industrial facilities that can use the thermal and/or electrical power generated by a nuclear power plant to offset the economic losses incurred by electricity market challenges. A generic pressurized water reactor (PWR) simulator was used to show the results of a basic design for a generic thermal power extraction system and tests were run using a set of procedures to show what happens when a nuclear power plant transitions from full electrical power dispatch to 15% and 50% thermal power dispatch. This type of operation leads to losses in turbine performance efficiency due to the deviation from the design operating point, but because the thermal power is also used by the industry load without conversion losses, the combined thermal efficiency of the PWR increases. For the 15% case, the thermal efficiency increased from 32% to 41.9%, while for the 50% case, the efficiency increased up to 60.1%. In addition, for 50% thermal power dispatch, the power dissipated by the condenser decreased from approximately 2000 to approximately 1300 MW (thermal), indicating a substantially diminished impact on the environment in terms of releasing heat into the cooling water reservoir.
Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation
While drug resistance mutations can often be attributed to the loss of direct or solvent-mediated protein−ligand interactions in the drug-mutant complex, in this study we show that a resistance mutation for the picomolar HIV-1 capsid (CA)-targeting antiviral (GS-6207) is mainly due to the free energy cost of the drug-induced protein side chain reorganization in the mutant protein. Among several mutations, M66I causes the most suppression of the GS-6207 antiviral activity (up to ~84,000-fold), and only 83- and 68-fold reductions for PF74 and ZW-1261, respectively. To understand the molecular basis of this drug resistance, we conducted molecular dynamics free energy simulations to study the structures, energetics, and conformational free energy landscapes involved in the inhibitors binding at the interface of two CA monomers. To minimize the protein−ligand steric clash, the I66 side chain in the M66I−GS-6207 complex switches to a higher free energy conformation from the one adopted in the apo M66I. In contrast, the binding of GS-6207 to the wild-type CA does not lead to any significant M66 conformational change. Based on an analysis that decomposes the absolute binding free energy into contributions from two receptor conformational states, it appears that it is the free energy cost of side chain reorganization rather than the reduced protein−ligand interaction that is largely responsible for the drug resistance against GS-6207.
General circulation models simulate negative liquid water path–droplet number correlations, but anthropogenic aerosols still increase simulated liquid water path
General circulation models' (GCMs) estimates of the liquid water path adjustment to anthropogenic aerosol emissions differ in sign from other lines of evidence. This reduces confidence in estimates of the effective radiative forcing of the climate by aerosol–cloud interactions (ERFaci). The discrepancy is thought to stem in part from GCMs' inability to represent the turbulence–microphysics interactions in cloud-top entrainment, a mechanism that leads to a reduction in liquid water in response to an anthropogenic increase in aerosols. In the real atmosphere, enhanced cloud-top entrainment is thought to be the dominant adjustment mechanism for liquid water path, weakening the overall ERFaci. We show that the latest generation of GCMs includes models that produce a negative correlation between the present-day cloud droplet number and liquid water path, a key piece of observational evidence supporting liquid water path reduction by anthropogenic aerosols and one that earlier-generation GCMs could not reproduce. However, even in GCMs with this negative correlation, the increase in anthropogenic aerosols from preindustrial to present-day values still leads to an increase in the simulated liquid water path due to the parameterized precipitation suppression mechanism. This adds to the evidence that correlations in the present-day climate are not necessarily causal. We investigate sources of confounding to explain the noncausal correlation between liquid water path and droplet number. These results are a reminder that assessments of climate parameters based on multiple lines of evidence must carefully consider the complementary strengths of different lines when the lines disagree.
High-frequency, high-power performance of AlGaN-channel high-electron-mobility transistors: an RF simulation study [High-frequency high power performance of AlGaN channel HEMTs: an RF simulation study]
The emerging Al-rich AlGaN-channel Al x Ga 1–x N/Al y Ga 1–y N high-electron-mobility transistors (HEMTs) with 0.7 ≤ y < x ≤ 1.0 have the potential to greatly exceed the power handling capabilities of today's GaN HEMTs, possibly by five times. This projection is based on the expected 4× enhancement of the critical electric field, the 2× enhancement of sheet carrier density, and the parity of the electron saturation velocity for Al-rich AlGaN-channel HEMTs relative to GaN-channel HEMTs. In this paper, the expected increased RF power density in Al-rich AlGaN-channel HEMTs is calculated by theoretical analysis and computer simulations, based on existing data on long-channel AlGaN devices. It is shown that a saturated power density of 18 W mm –1 , a power-added efficiency of 55% and an output third-order intercept point over 40 dB can be achieved for this technology. Furthermore, the method for large-signal RF performance estimation presented in this paper is generic and can be applied to other novel high-power device technologies at the early stages of development.
Suitable low Global Warming Potential (GWP) refrigerants for two-speed Heat Pumps for residential applications based on speed Heat Pumps for residential applications based on simulated performance simulated performance
Cold climate Heat Pumps (CCHPs) using single-speed compressors in tandem have been successfully built and tested to reach its performance metrics with outdoor temperatures as low as -25°C. CCHPs must be designed to alleviate the problems of too high discharge temperatures, low suction pressure and high-pressure ratio at low ambient conditions and insufficient heating capacity relative to the heating capacity at 8.3°C. In this paper we recognize those concerns. Low-GWP refrigerants are screened based on the shape of their T-S saturation boundary. Simulations of the performance of low-GWP refrigerants (R32, R454B, R466A, and R452B) relative to R410A is done using the DOE/ORNL Heat Pump Design Model at the component level. Systemic inefficiency, the root cause of lost work, is addressed by component-level exergy analysis to refine design options. CCHPs using low-GWP refrigerants addresses issues of reducing energy consumption, lowering carbon footprint, and enabling environmentally sustainability. The CCHP was designed to meet a HSPF > 11.0 and SEER > 15.0 having adequate heat pump heating capacity down to -25°C. It is estimated that at least 2.6 million U.S homes using electric furnaces and heat pumps in cold or very old climates with an annual energy consumption of 0.17EJ would benefit by CCHPs.
Resilient Adaptive Parallel sImulator for griD (RAPID): An Open Source Power System Simulation Toolbox
Not Available
Phase-field simulation of irradiated metals Part II : Gas bubble kinetics.
The phase-field model developed in Part I of this work is expanded to include fission gas generation, diffusion, and segregation within bubbles nucleated both homogeneously and heterogeneously along grain boundaries. Illustrative results are presented that characterize bubble growth and shrinkage, as well as the bubble density, size and nucleation rate as a function of the irradiation conditions. Finally, intergranular bubble characteristics such as shape, pinning energy and bubble density are investigated.
Phase-field simulation of irradiated metals Part 1: Void kinetics.
We present a phase-field model of void formation and evolution in irradiated metals by spatially and temporally evolving vacancy and self-interstitial concentration fields. By incorporating a coupled set of Cahn-Hilliard and Allen-Cahn equations, the model captures the processes of point defect generation and recombination, annihilation of defects at sinks, as well as void nucleation and growth in the presence of grain boundaries. Illustrative results are presented that characterize the rate of void growth or shrinkage due to supersaturated vacancy or interstitial concentrations, void nucleation and growth kinetics due to cascade-induced defect production, as well as void denuded and peak zones adjacent to grain boundaries.
Reprint of "CFD simulations of circulating fluidized bed risers, part II, evaluation of differences between 2D and 3D simulations
Explore the source record for details and available documents.
Structural basis for supercooled liquid fragility established by synchrotron-radiation method and computer simulation
Metallic melts above the liquidus temperature exhibit nearly Arrhenius-type temperature dependence of viscosity. On cooling below the equilibrium liquidus temperature metallic melts exhibit a non-Arrhenius temperature dependence of viscosity characterized by liquid fragility phenomenon which origin is still not well understood. Structural changes and vitrification of the Pd{sub 42.5}Cu{sub 30}Ni{sub 7.5}P{sub 20} liquid alloy on cooling from above the equilibrium liquidus temperature are studied by synchrotron radiation X-ray diffraction and compared with the results of first-principles calculations. Subsequent analysis of the atomic and electronic structure of the alloy in liquid and glassy states reveals formation of chemical short-range order in the temperature range corresponding to such a non-Arrhenius behavior. The first-principles calculations were applied to confirm the experimental findings.
Verification and validation of linear gyrokinetic simulation of Alfven eigenmodes in the DIII-D tokamak
A verification and validation study is carried out for a sequence of reversed shear Alfven instability time slices. The mode frequency increases in time as the minimum (q{sub min}) in the safety factor profile decreases. Profiles and equilibria are based upon reconstructions of DIII-D discharge (no. 142111) in which many such frequency up-sweeping modes were observed. Calculations of the frequency and mode structure evolution from two gyrokinetic codes, GTC and GYRO, and a gyro-Landau fluid code TAEFL are compared. The experimental mode structure of the instability was measured using time-resolved two-dimensional electron cyclotron emission imaging. The three models reproduce the frequency upsweep event within {+-}10% of each other, and the average of the code predictions is within {+-}8% of the measurements; growth rates are predicted that are consistent with the observed spectral line widths. The mode structures qualitatively agree with respect to radial location and width, dominant poloidal mode number, ballooning structure, and the up-down asymmetry, with some remaining differences in the details. Such similarities and differences between the predictions of the different models and the experimental results are a valuable part of the verification/validation process and help to guide future development of the modeling efforts.
Numerical simulation study on fluid dynamics of plasma window using argon
N/A
Impact of Interface Recombination on Time Resolved Photoluminescence (TRPL) Decays in CdTe Solar Cells (Numerical Simulation Analysis): Preprint
Using Sentaurus Device Software, we analyze how bulk and interface recombination affect time-resolved photoluminescence (TRPL) decays in CdTe solar cells. This modeling analysis could improve the interpretation of TRPL data and increase the possibility of rapid defect characterization in thin-film solar cells. By illuminating the samples with photons of two different wavelengths, we try to deducethe spatial origin of the dominant recombination loss. Shorter-wavelength photons will be more affected by the interface recombination and drift compared to the longer ones. Using the two-wavelength TRPL characterization method, it may be possible to determine whether a specific change in deposition process has affected the properties of interface or the bulk of the absorber.
Accounting for the Variation of Driver Aggression in the Simulation of Conventional and Advanced Vehicles: Preprint
Hybrid electric vehicles, plug-in hybrid electric vehicles, and battery electric vehicles offer the potential to reduce both oil imports and greenhouse gases, as well as to offer a financial benefit to the driver. However, assessing these potential benefits is complicated by several factors, including the driving habits of the operator. We focus on driver aggression, i.e., the level of acceleration and velocity characteristic of travel, to (1) assess its variation within large, real-world drive datasets, (2) quantify its effect on both vehicle efficiency and economics for multiple vehicle types, (3) compare these results to those of standard drive cycles commonly used in the industry, and (4) create a representative drive cycle for future analyses where standard drive cycles are lacking.
Using the BEopt Automated Residential Simulation Test Suite to Enable Comparative Analysis Between Energy Simulation Engines
Explore the source record for details and available documents.
GloudSim: Google trace based cloud simulator with virtual machines: GloudSim: Google trace based cloud simulator with virtual machines
Explore the source record for details and available documents.
Reduced-Order Modeling and Simulated Annealing Optimization for Efficient Residential Building Utility Bill Calibration
Explore the source record for details and available documents.