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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.

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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Contribution of Infiltration Process Uncertainty on the Simulation of Terrestrial Water and Energy Budgets

The infiltration step is the major forking point of precipitation partition in land surface models, which plays a more significant role than canopy interception for simulating water and energy budgets.In this study, we found significant differences in water and energy-related outputs amount JULES, Noah, Noah-MP, and VIC. The differences are directly or indirectly related to the infiltration components in the models. Those differences add uncertainties to the applications of land surface models. Thorough evaluations are needed to determine the reliability of infiltration schemes used in these models.

Wang, Shugong↗
DOE OSTI2016

Land surface models systematically overestimate the intensity, duration and magnitude of seasonal-scale evaporative droughts

Land surface models (LSMs) must accurately simulate observed energy and water fluxes during droughts in order to provide reliable estimates of future water resources. We evaluated 8 different LSMs (14 model versions) for simulating evapotranspiration (ET) during periods of evaporative drought (Edrought) across six flux tower sites. Using an empirically defined Edrought threshold (a decline in ET below the observed 15th percentile), we show that LSMs simulated 58 Edrought days per year, on average, across the six sites, ~3 times as many as the observed 20 d. The simulated Edrought magnitude was ~8 times greater than observed and twice as intense. Our findings point to systematic biases across LSMs when simulating water and energy fluxes under water-stressed conditions. The overestimation of key Edrought characteristics undermines our confidence in the models' capability in simulating realistic drought responses to climate change and has wider implications for phenomena sensitive to soil moisture, including heat waves.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2003

Water Impact Test and Simulation of a Composite Energy Absorbing Fuselage Section

In March 2002, a 25-ft/s vertical drop test of a composite fuselage section was conducted onto water. The purpose of the test was to obtain experimental data characterizing the structural response of the fuselage section during water impact for comparison with two previous drop tests that were performed onto a rigid surface and soft soil. For the drop test, the fuselage section was configured with ten 100-lb. lead masses, five per side, that were attached to seat rails mounted to the floor. The fuselage section was raised to a height of 10-ft. and dropped vertically into a 15-ft. diameter pool filled to a depth of 3.5-ft. with water. Approximately 70 channels of data were collected during the drop test at a 10-kHz sampling rate. The test data were used to validate crash simulations of the water impact that were developed using the nonlinear, explicit transient dynamic codes, MSC.Dytran and LS-DYNA. The fuselage structure was modeled using shell and solid elements with a Lagrangian mesh, and the water was modeled with both Eulerian and Lagrangian techniques. The fluid-structure interactions were executed using the fast general coupling in MSC.Dytran and the Arbitrary Lagrange-Euler (ALE) coupling in LS-DYNA. Additionally, the smooth particle hydrodynamics (SPH) meshless Lagrangian technique was used in LS-DYNA to represent the fluid. The simulation results were correlated with the test data to validate the modeling approach. Additional simulation studies were performed to determine how changes in mesh density, mesh uniformity, fluid viscosity, and failure strain influence the test-analysis correlation.

Fasanella, Edwin L.↗
DOE OSTI2019

Ocean Energy Systems Wave Energy Modelling Task: Modelling, Verification and Validation of Wave Energy Converters

The International Energy Agency Technology Collaboration Programme for Ocean Energy Systems (OES) initiated the OES Wave Energy Conversion Modelling Task, which focused on the verification and validation of numerical models for simulating wave energy converters (WECs). The long-term goal is to assess the accuracy of and establish confidence in the use of numerical models used in design as well as power performance assessment of WECs. To establish this confidence, the authors used different existing computational modelling tools to simulate given tasks to identify uncertainties related to simulation methodologies: (i) linear potential flow methods; (ii) weakly nonlinear Froude–Krylov methods; and (iii) fully nonlinear methods (fully nonlinear potential flow and Navier–Stokes models). This article summarizes the code-to-code task and code-to-experiment task that have been performed so far in this project, with a focus on investigating the impact of different levels of nonlinearities in the numerical models. Two different WECs were studied and simulated. The first was a heaving semi-submerged sphere, where free-decay tests and both regular and irregular wave cases were investigated in a code-to-code comparison. The second case was a heaving float corresponding to a physical model tested in a wave tank. We considered radiation, diffraction, and regular wave cases and compared quantities, such as the WEC motion, power output and hydrodynamic loading.

16 TIDAL AND WAVE POWER↗
DOE OSTI2018

Thermal characterization of full-scale PCM products and numerical simulations, including hysteresis, to evaluate energy impacts in an envelope application

This article presents combined measurements of fatty acid-based organic PCM products and numerical simulations to evaluate the energy benefits of adding a PCM layer to an exterior wall. The thermal storage characteristics of the PCM were measured using a heat flow meter apparatus (HFMA). The PCM characterization is based on a recent ASTM International standard test method, ASTM C1784. The PCM samples were subjected to step changes in temperature and allowed to stabilize at each temperature. By measuring the heat absorbed or released by the PCM, the temperature-dependent enthalpy functions for melting and freezing were determined.Here, the simulations were done using a previously-validated two-dimensional (2D) wall model containing a PCM layer and incorporating the HFMA-measured enthalpy functions. The wall model was modified to include the hysteresis phenomenon observed in PCMs, which is reflected in different melting and freezing temperatures of the PCM. Simulations were done with a single enthalpy curve based on the PCM melting tests, both melting and freezing enthalpy curves, and with different degrees of hysteresis between the melting and freezing curves. Significant differences were observed between the thermal performances of the modeled wall with the PCM layer under the different scenarios.

2D wall model with PCM↗
DOE OSTI2022

Towards Digital and Performance-Based Supervisory HVAC Control Delivery

Upgrading supervisory HVAC control in commercial buildings is one of the most attractive decarbonization tools at our disposal. Modern controls are software programs and can in theory be deployed at scale and with a low up-front carbon "pulse". In practice, however, control delivery is a disjointed and inefficient process, dominated by manual handoffs of imprecise English language documents. A particularly high barrier exists between control implementation and building energy modeling (BEM) which results in control sequences typically not being tested for correctness or performance before implementation. Together with industry partners, DOE and the national labs are developing an ecosystem of tools and standards that can support fully digital performance-based control delivery workflows. This paper describes this ecosystem, which consists of three mutually supportive efforts. Semantic models of buildings and their systems enable automatic configuration and installation of control software. Platform-neutral control descriptions separate control algorithms from control platforms and enable the creation of libraries of reference control implementations. Dynamic whole-building energy-control simulation that can execute physically realistic control sequences makes it possible to test and evaluate the performance of control sequences and then directly compile them for installation and execution in control systems. In addition to digitizing and streamlining project-level control delivery, these standards and related software support benchmarking of control algorithms, both rule-based and optimization-based, and help to both advance the state of the art and to implement ratings and programs that encourage the adoption of high-performance control.

building controls↗
DOE OSTI2017

Three-Dimensional Design Simulations of a High-Energy Density Reshock Experiment at the National Ignition Facility

We present here simulations of a new experimental platform at the National Ignition Facility (NIF) for studying the hydrodynamic instability growth of a high-energy density (HED) fluid interface that undergoes multiple shocks, i.e., is “reshocked.” In these experiments, indirect-drive laser cavities drive strong shocks through an initially solid, planar interface between a high-density plastic and low-density foam, in either one or both directions. The first shock turns the system into an unstable fluid interface with the premachined initial condition that then grows via the Richtmyer–Meshkov and Rayleigh–Taylor instabilities. Backlit X-ray imaging is used to visualize the instability growth at different times. Our main result is that this new HED reshock platform is established and that the initial data confirm the experiment operates in a hydrodynamic regime similar to what simulations predict. The simulations also reveal new types of edge effects that can disturb the experiment at late times and suggest ways to mitigate them.

42 ENGINEERING↗
DOE OSTI2023

New Developments and Capabilities Within WEC-Sim

WEC-Sim is an open-source software for simulating wave energy converters and has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory and Sandia National Laboratories within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with the latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1, which spans a 2-year period from June 2020 to September 2022. New features described here include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗
DOE OSTI2014

The high-foot implosion campaign on the National Ignition Facility

The “High-Foot” platform manipulates the laser pulse-shape coming from the National Ignition Facility laser to create an indirect drive 3-shock implosion that is significantly more robust against instability growth involving the ablator and also modestly reduces implosion convergence ratio. This strategy gives up on theoretical high-gain in an inertial confinement fusion implosion in order to obtain better control of the implosion and bring experimental performance in-line with calculated performance, yet keeps the absolute capsule performance relatively high. In this paper, we will cover the various experimental and theoretical motivations for the high-foot drive as well as cover the experimental results that have come out of the high-foot experimental campaign. At the time of this writing, the high-foot implosion has demonstrated record total deuterium-tritium yields (9.3×1015) with low levels of inferred mix, excellent agreement with implosion simulations, fuel energy gains exceeding unity, and evidence for the “bootstrapping” associated with alpha-particle self-heating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

New Developments and Capabilities Within WEC-Sim: Preprint

WEC-Sim is an open-source software for simulating wave energy converters, which has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (Sandia) within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with our latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1 which spans over a two year period from June 2020 to September 2022. New features to be described will include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗
DOE OSTI2016

Dark Energy Studies with LSST Image Simulations, Final Report

This grant funded the development and dissemination of the Photon Simulator (PhoSim) for the purpose of studying dark energy at high precision with the upcoming Large Synoptic Survey Telescope (LSST) astronomical survey. The work was in collaboration with the LSST Dark Energy Science Collaboration (DESC). Several detailed physics improvements were made in the optics, atmosphere, and sensor, a number of validation studies were performed, and a significant number of usability features were implemented. Future work in DESC will use PhoSim as the image simulation tool for data challenges used by the analysis groups.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning Schemes

In combined quantum-mechanical/molecular-mechanical (QM/MM) dynamics simulations, the adaptive-partitioning (AP) schemes reclassify atoms on-the-fly as QM or MM in a smooth manner. This yields a mobile QM subsystem with contents that are continuously updated as needed. Here, we tailor the Hamiltonian adaptive many-body correction (HAMBC) proposed by Boreboom et al. [J. Chem. Theory Comput. 2016, 12, 3441] to the permuted AP (PAP) scheme. The treatments lead to the HAMBC-PAP method (HPAP), which both conserves energy and produces accurate solvation structures in the test of “water-in-water” model system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Investigating the Impact of Thickness, Calendering and Channel Structures of Printed Electrodes on the Energy Density of LIBs - 3D Simulation and Validation

Current lithium ion batteries (LIBs) are expensive and bulky, limited by relatively low charging rates. To increase the rate of charging and reduce weight, thin electrodes with high energy density are required. The increase in energy density can be achieved by several techniques including boosting electrolyte transport, high loading/utilization of active material, employing high conductive electrolytes and electrodes with advanced architectures, and increasing cell temperature. In this paper, a 3D physics-based electrochemical model of LIBs is developed in COMSOL simulation software for different thickness, calendering steps as well as channel structures (conical, cylindrical) to optimize the electrode design and in turn maximize volumetric energy density. The simulation results demonstrated that calendering the electrodes with high initial porosity increases the volumetric energy density of the cell. In addition, cylindrical channel structures with relatively lower edge-to-edge distance also results in increased volumetric energy density. The simulation results of the 3D model was validated by comparing it with experimental results.

improving volumetric energy density↗
DOE OSTI2020

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations

We present the first application of field programmable gate arrays (FPGAs) as new, customizable hardware architectures for carrying out fast and energy-efficient quantum dynamics simulations of large chemical/material systems. Instead of tailoring the software to fixed hardware, which is the typical case for writing quantum chemistry code for central processing units (CPUs) and graphics processing units (GPUs), FPGAs allow us to directly customize the underlying hardware (even at the level of specific electrical signals in the circuit) to give a truly optimized computational performance for quantum dynamics calculations. By offloading the most intensive and repetitive calculations onto an FPGA, we show that the computational performance of our real-time electron dynamics calculations can even exceed that of optimized commercial mathematical libraries running on high-performance GPUs. In addition to this impressive computational speedup, we show that FPGAs are immensely energy-efficient and consume 4 times less energy than modern GPU or CPU architectures. These energy savings are a practical and important metric for supercomputing centers (many of which exceed over $1 million in power costs alone), as exascale computing capabilities become more widespread and commonplace. Taken together, the implementation techniques and performance metrics of our study demonstrate that FPGAs could play a promising role in upcoming quantum chemistry and materials science applications, particularly for the acceleration and energy-efficient execution of quantum dynamics calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Chapter 8: Planning Tools to Simulate and Optimize Neighborhood Energy Systems

This section introduces different energy modeling tools available in Europe and the USA for community energy master planning process varying from strategic Urban Energy Planning to more detailed Local Energy Planning. Two modeling tools used for Energy Master Planning of primarily residential communities, the 3D city model with CityGML, and the Net Zero Planner tool developed for the US Department of Defense installations are described in more details.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2012

Insights into the structural function of the complex of HIV-1 protease with TMC-126: molecular dynamics simulations and free-energy calculations

The binding properties of the protein-inhibitor complex of human immunodeficiency virus type 1 (HIV-1) protease with the inhibitor TMC-126 are investigated by combining computational alanine scanning (CAS) mutagenesis with binding free-energy decomposition (BFED). The calculated results demonstrate that the flap region (residues 38-58) and the active site region (residues 23-32) in HIV-1 protease contribute 63.72% of the protease to the binding of the inhibitor. In particular, the mechanisms for the interactions of key residues of these species are fully explored and analyzed. Interestingly, the regression analyses show that both CAS and BFED based on the generalized Born model yield similar results, with a correlation coefficient of 0.94. However, compared to CAS, BFED is faster and can decompose the per-residue binding free-energy contributions into backbone and sidechain contributions. The results obtained in this study are useful for studying the binding mechanism between receptor and ligand and for designing potent inhibitors that can combat diseases.

36 MATERIALS SCIENCE↗