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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A representative-sandwich model for simultaneously coupled mechanical-electrical-thermal simulation of a lithium-ion cell under quasi-static indentation tests

The safety behavior of lithium-ion batteries under external mechanical crush is a critical concern, especially during large scale deployment. We previously presented a sequentially coupled mechanical-electrical-thermal modeling approach for studying mechanical abuse induced short circuit. Here in this work, we study different mechanical test conditions and examine the interaction between mechanical failure and electrical-thermal responses, by developing a simultaneous coupled mechanical-electrical-thermal model. The present work utilizes a single representative-sandwich (RS) to model the full pouch cell with explicit representations for each individual component such as the active material, current collector, separator, etc. Anisotropic constitutive material models are presented to describe the mechanical properties of active materials and separator. The model predicts accurately the force-strain response and fracture of battery structure, simulates the local failure of separator layer, and captures the onset of short circuit for lithium-ion battery cell under sphere indentation tests with three different diameters. Electrical-thermal responses to the three different indentation tests are elaborated and discussed. Lastly, numerical studies are presented to show the potential impact of test conditions on the electrical-thermal behavior of the cell after the occurrence of short circuit.

25 ENERGY STORAGE↗
DOE OSTI2022

A Stochastic Reduced-Order Model for Statistical Microstructure Descriptors Evolution

Integrated computational materials engineering (ICME) models have been a crucial building block for modern materials development, relieving heavy reliance on experiments and significantly accelerating the materials design process. However, ICME models are also computationally expensive, particularly with respect to time integration for dynamics, which hinders the ability to study statistical ensembles and thermodynamic properties of large systems for long time scales. To alleviate the computational bottleneck, we propose to model the evolution of statistical microstructure descriptors as a continuous-time stochastic process using a non-linear Langevin equation, where the probability density function (PDF) of the statistical microstructure descriptors, which are also the quantities of interests (QoIs), is modeled by the Fokker–Planck equation. In this work, we discuss how to calibrate the drift and diffusion terms of the Fokker–Planck equation from the theoretical and computational perspectives. The calibrated Fokker–Planck equation can be used as a stochastic reduced-order model to simulate the microstructure evolution of statistical microstructure descriptors PDF. Considering statistical microstructure descriptors in the microstructure evolution as QoIs, we demonstrate our proposed methodology in three integrated computational materials engineering (ICME) models: kinetic Monte Carlo, phase field, and molecular dynamics simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Scalable Adaptive Multilevel Solvers for Multiphysics Problems

In this project, we carried out many studies on adaptive and parallel multilevel methods for numerical modeling for various applications, including Magnetohydrodynamics (MHD) and complex fluids. We have made significant efforts and advances in adaptive multilevel methods of the multiphysics problems: multigrid methods, adaptive finite element methods, and applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A design study of generic solution vessel systems

A design study of generic solution vessel configurations was conducted to assess the effect of solution vessel configuration on a generic fissile solution system at a steady state condition. The coupled calculation method developed in the previous milestone was implemented in this study. Three different configurations were selected with two constraints 1) the total solution volume (300L) is constant, and 2) the k eff value of the fissile solution at the cold start is a fixed value (0.985). The major change in the three configurations tested is the aspect ratio of the solution vessel. The aspect ratios, defined as the solution height divided by the outer solution diameter, were set to be 1.99, 1.50, and 1.17. An identical cooling configuration was applied to all three configurations. A series of K-code calculations was conducted for each vessel configuration to meet a desired subcritical criterion.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Simulation of Wave Propagation for Nuclear Facility Acoustic Communications

Elastic waves are often used in non-destructive testing (NDT) to detect material defects in metal pipes. In NDT methodology, high-frequency elastic waves are launched into a pipe with an ultrasonic transducer. Material defects comparable in size to wavelength scatter ultrasonic waves, and analysis of scattered signal allows quantifying the defect and its location. As a variation of NDT technology, ultrasonic transducers placed at the ends of a pipe, and operating at wavelengths larger than typical micro-crack sizes, can act as a transmitter and receiver of information. By modulating transducer signal to send information encoded with elastic waves across a metal pipe, we attempt to create a communication channel. By taking advantage of existing piping infrastructure of thermal hydraulic systems, such communication links would allow the transmission of information across physical barriers in a nuclear facility.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Modeling of the Advanced Test Reactor Using OpenMC, Cubit and Griffin

In the pursuit of the ability to perform multiphysics simulations of the Advanced Test Reactor, it is crucial to have a fast and highly accurate deterministic model. To achieve this, a contemporary two-step method is employed. The first step involves generating homogenized cross sections using OpenMC, a cutting-edge Monte Carlo neutron transport code. OpenMC offers excellent modular capabilities, allowing for easy component integration and flexibility in incorporating new designs into the model. The second step involves deterministic transport calculations, which are performed using Griffin, a reactor multiphysics application based on the Multiphysics Object-Oriented Simulation Environment. To ensure the accurate spatial resolution and assignment of material cross sections, a Cubit-generated mesh for the Advanced Test Reactor is utilized as an intermediate step between the OpenMC and Griffin models; Griffin utilizes the mesh for its finite element solution, while OpenMC material IDs are written to the mesh file to be used in Griffin material assignments. Additionally, a Python-based script converts the cross sections generated by OpenMC into the ISOXML format required by Griffin. Preliminary comparisons indicate good agreement between the neutron multiplication factors obtained from the standalone OpenMC model and the Griffin model, with differences of less than 50 pcm in the two-dimensional geometry configuration. However, in three-dimensional calculations, an unacceptably large error is found in the Griffin solution. Future work is planned to resolve this discrepancy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Design and Manufacturing of High Performance, Reduced Charge Heat Exchangers

Air-to-fluid heat exchangers (HXs) play a critical role as the main heat transfer component in Heating, Ventilation, Air-Conditioning, and Refrigeration (HVAC&R) systems. However, their airside thermal resistance significantly inhibits their overall performance. Furthermore, these HXs must be continually more compact to meet the latest refrigerant charge limits to reduce emissions. Recent literature suggests that traditional HX geometries (e.g., round or flat tubes with fins), have reached their limits, and more sophisticated shape- and topology-optimized designs are required to achieve the next jump in performance. This research sheds light on the next generation of air-to-refrigerant HXs and aims to address several practical issues to commercialization such as novelty challenges (improved performance for significant charge reduction; modeling expertise & time investment), manufacturing challenges (non-round tube manufacturing; tube-header integration; product qualification, e.g., burst pressure testing, extreme operational environment, etc.), and operational challenges (flow maldistribution, fouling & wetting, noise & vibration). For example, a >20% improvement on one (or more) HX-level performance metrics (e.g., envelope volume, airside pressure drop, face area, capacity, refrigerant charge, weight, cost, etc.) must be achieved before a HX design is considered for commercialization. We present a new, comprehensive and experimentally validated air-to-refrigerant HX optimization framework with simultaneous thermal-hydraulic performance and mechanical strength considerations for novel, non-round, shape- and topology-optimized tubes capable of optimizing single and two-phase HX designs for any refrigerant choice and performance requirement with significant engineering time savings compared to conventional design practices. The framework was exercised for a wide range of applications and refrigerants, resulting in HXs which achieved greater than 20% improved performance, 20% reductions in size, and 25% reductions in refrigerant charge. To enable non-round tube bundle use in next generation HVAC&R equipment, novel manufacturing techniques were investigated, including the development of conventional manufacturing methods for small diameter, non-round tubes and novel tube-header integration strategies. In total, ten HX prototypes were manufactured, nine using conventional methods directly attributed to this project and one using advanced additive manufacturing methods. The five-year manufacturing feasibility of the proposed HXs was found to have a good outlook. The non-round tube HX simulated performance was validated through comprehensive experimental testing, including nine in-house component-level tests, one independent component-level test at an industry partner laboratory, and in-house system-level tests of using a commercially-available, residential packaged A/C unit which was retrofitted with a non-round tube prototype HX. It was found that HX designs proposed by the new framework can successfully predict experimental thermal-hydraulic performance within ±10-20% the first time with no manual design changes, eliminating the need for time-consuming and expensive prototyping efforts. This work will accelerate design and time to market for next generation HXs while simultaneously facilitating industry transition to new refrigerants at lower charge.

42 ENGINEERING↗
DOE OSTI2020

PFLOTRAN-SIP: A PFLOTRAN Module for Simulating Spectral-Induced Polarization of Electrical Impedance Data

Spectral induced polarization (SIP) is a non-intrusive geophysical method that collects chargeability information (the ability of a material to retain charge) in the time domain or its phase shift in the frequency domain. Although SIP is a temporal method, it cannot measure the dynamics of flow and solute/species transport in the subsurface over long times (i.e., 10–100 s of years). Data collected with the SIP technique need to be coupled with fluid flow and reactive-transport models in order to capture long-term dynamics. To address this challenge, PFLOTRAN-SIP was built to couple SIP data to fluid flow and solute transport processes. Specifically, this framework couples the subsurface flow and transport simulator PFLOTRAN and geoelectrical simulator E4D without sacrificing computational performance. PFLOTRAN solves the coupled flow and solute-transport process models in order to estimate solute concentrations, which were used in Archie’s model to compute bulk electrical conductivities at near-zero frequency. These bulk electrical conductivities were modified while using the Cole–Cole model to account for frequency dependence. Using the estimated frequency-dependent bulk conductivities, E4D simulated the real and complex electrical potential signals for selected frequencies for SIP. These frequency-dependent bulk conductivities contain information that is relevant to geochemical changes in the system. This study demonstrated that the PFLOTRAN-SIP framework is able to detect the presence of a tracer in the subsurface. SIP offers a significant benefit over ERT in the form of greater information content. It provided multiple datasets at different frequencies that better constrained the tracer distribution in the subsurface. Consequently, this framework allows for practitioners of environmental hydrogeophysics and biogeophysics to monitor the subsurface with improved resolution.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

DPLR-NEQAIR Coupler Tutorial

The DPLR-NEQAIR coupler utility provides a framework for running computational simulations of high temperature gases that account for radiative emission and absorption of the gas. This presentation provides an overview of the methodology use to achieve this coupling and an introduction to using the coupling utility itself.

DPLR↗
DOE OSTI2015

Advanced Multiphysics Thermal-Hydraulics Models for the High Flux Isotope Reactor

Engineering design studies to determine the feasibility of converting the High Flux Isotope Reactor (HFIR) from using highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel are ongoing at Oak Ridge National Laboratory (ORNL). This work is part of an effort sponsored by the US Department of Energy (DOE) Reactor Conversion Program. HFIR is a very high flux pressurized light-water-cooled and moderated flux-trap type research reactor. HFIR s current missions are to support neutron scattering experiments, isotope production, and materials irradiation, including neutron activation analysis. Advanced three-dimensional multiphysics models of HFIR fuel were developed in COMSOL software for safety basis (worst case) operating conditions. Several types of physics including multilayer heat conduction, conjugate heat transfer, turbulent flows (RANS model) and structural mechanics were combined and solved for HFIR s inner and outer fuel elements. Alternate design features of the new LEU fuel were evaluated using these multiphysics models. This work led to a new, preliminary reference LEU design that combines a permanent absorber in the lower unfueled region of all of the fuel plates, a burnable absorber in the inner element side plates, and a relocated and reshaped (but still radially contoured) fuel zone. Preliminary results of estimated thermal safety margins are presented. Fuel design studies and model enhancement continue.

COMSOL↗
DOE OSTI2015

Representative-Sandwich Model for Mechanical-Crush and Short-Circuit Simulation of Lithium-ion Batteries

Lithium-ion batteries are currently the state-of-the-art power sources for a variety of applications, from consumer electronic devices to electric-drive vehicles (EDVs). Being an energized component, failure of the battery is an essential concern, which can result in rupture, smoke, fire, or venting. The failure of Lithium-ion batteries can be due to a number of external abusive conditions (impact/crush, overcharge, thermal ramp, etc.) or internal conditions (internal short circuits, excessive heating due to resistance build-up, etc.), of which the mechanical-abuse-induced short circuit is a very practical problem. In order to better understand the behavior of Lithium-ion batteries under mechanical abuse, a coupled modeling methodology encompassing the mechanical, thermal and electrical response has been developed for predicting short circuit under external crush.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2015

Reactivity Effects at Mayak Production Association January 2, 1958 Criticality Accident Using Serpent 2 and OpenFOAM

The process nuclear criticality accident that occurred at the Mayak Production Association (Chelyabinsk 40) on January 2, 1958 involving a vessel of uranyl nitrate solution claimed the lives of three workers and left a fourth worker with continuing health problems. There are a myriad of uncertain parameters involved with this accident: What was the molarity of the solution? How much solution was in the vessel at the time of the accident? In what position was the vessel and the solution when it went critical? How important was the impact of reflection due to the workers and/or the floor? These uncertain parameters have made this accident particularly difficult to analyze in the past. This work aims to lower the uncertainty on some of these parameters. A most-probable solution composition is determined by comparing literature on the physical properties of uranyl nitrate solutions to those presented in LA-13638, which describes the accident in question. Using this most-probable solution, the main contributions to the reactivity of the system and hence the eventual accident, are identified through Serpent 2 and OpenFOAM analyses. Serpent 2, a Monte Carlo software tool, is used to perform calculations of the reactivity effects of lowering the vessel toward the floor and the reactivity added by the close proximity of workers. OpenFOAM, a C++ partial differential equation solver toolkit, is used to simulate the fluid inside the vessel as the vessel is tipped. This is done by treating the solution and air inside the vessel as two incompressible, isothermal, and immiscible fluids using a volume of fluid (VoF) approach. The goal of this approach is simply to track the interface between the two fluids, and hence give an accurate description of the geometrical structure of the solution as the vessel is tipped. These two unique tools are then coupled to provide a time-dependent flow simulation to study the effect that the changing geometrical structure had on the criticality of the system, which is novel to the criticality safety field. This work provides a more accurate picture of the accident going forward.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Microstructure Characterization and Modeling for Improved Electrode Design

This presentation describes research work led by NREL with team members from Argonne National Laboratory and Texas A&M University in microstructure analysis, modeling and validation under DOE's Computer-Aided Engineering of Batteries (CAEBAT) program. The goal of the project is to close the gaps between CAEBAT models and materials research by creating predictive models that can be used for electrode design.

33 ADVANCED PROPULSION SYSTEMS↗