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Results for “THERMAL SIMULATION”

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 19 records

Simultaneously Coupled Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells: Preprint

Understanding the combined electrochemical-thermal and mechanical response of a system has a variety of applications, for example, structural failure from electrochemical fatigue and the potential induced changes of material properties. For lithium-ion batteries, there is an added concern over the safety of the system in the event of mechanical failure of the cell components. In this work, we present a generic multi-scale simultaneously coupled mechanical-electrochemical-thermal model to examine the interaction between mechanical failure and electrochemical-thermal responses. We treat the battery cell as a homogeneous material while locally we explicitly solve for the mechanical response of individual components using a homogenization model and the electrochemical-thermal responses using an electrochemical model for the battery. A benchmark problem is established to demonstrate the proposed modeling framework. The model shows the capability to capture the gradual evolution of cell electrochemical-thermal responses, and predicts the variation of those responses under different short-circuit conditions.

25 ENERGY STORAGE↗

Thermal Interface Conductance Between Aluminum and Silicon by Molecular Dynamics Simulations

The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The findings demonstrate the size dependence of the interface thermal conductance and the effect of electron–phonon coupling on the interface thermal conductance. To understand the mechanism of interface resistance, the vibration power spectra are calculated. We postulate that the atomic level disorder near the interface is an important aspect of interfacial phonon transport, which leads to a modification of the phonon states near the interface. There, the vibrational spectrum near the interface greatly differs from the bulk. This change in the vibrational spectrum affects the results predicted by AMM and DMM theories and indicates new physics is involved with phonon transport across interfaces.

42 ENGINEERING↗

Investigation of Hydrogen Embrittlement Susceptibility of X80 Weld Joints by Thermal Simulation

The objective of this study was to investigate the hydrogen embrittlement (HE) susceptibility and influence mechanism of X80 weld joints. Slow strain rate testing (SSRT) under in situ H-charging, combined with microstructure and fracture analysis, was performed on the base metal (BM), weld metal (WM), thermally simulated fine-grained heat-affected zone (FGHAZ) and coarse-grained heat-affected zone (CGHAZ). Results showed that the WM and simulated HAZ had a greater degree of high local strain distribution than the BM; compared to the CGHAZ, the FGHAZ had lower microhardness and more uniformly distributed stress. SSRT results showed that the weld joint was highly sensitive to HE; the HE index decreased in the following sequence: FGHAZ, WM, CGHAZ and BM. The effect of the microstructure on HE was mainly reflected in microstructure, local stress distribution and microhardness.

36 MATERIALS SCIENCE↗

Thermal Simulation Analysis of Microstructure and Hardness for CrMoV with PWHT in Type IV Region

Welded components of CrMoV steam pipe exhibit a pernicious form of type IV cracking after long-term service at elevated temperature. To investigate the cracking mechanism, the type IV microstructure and hardness were characterized after thermal simulation of post-weld heat treatment. Below 1098 K (825 °C), loss of carbon from the pearlite region was apparent, and the work zone exhibited a slightly lower hardness than the parent material because of a minor amount of austenite transformation. In addition, for peak temperatures above 1133 K (860 °C), additional transformation into austenite occurred and was followed by retransformation into ferrite upon further increasing the temperature. The pearlite formed at 1173 K to 1223 K (900 °C to 950 °C) resulted in an increase of the volume fraction of pearlite and microstructural refinement, which yielded a remarkable increase of hardness in the work zone. For the peak temperature of 1573 K (1300 °C), previous austenite grains were coarsened and alloy carbides were dissolved in the austenite, which significantly hardened the work zone.

36 MATERIALS SCIENCE↗

Advanced Drying Cycle Simulator Thermal Response to Commercial Drying Conditions

The purpose of this report is to document updates on testing of the apparatus built to simulate commercial drying procedures for spent nuclear fuel at the Nuclear Energy Work Complex at Sandia National Laboratories. Validation of the extent of water removal in a dry spent nuclear fuel storage system based on drying procedures used at nuclear power plants is needed to close existing technical gaps. Operational conditions leading to incomplete drying may have potential impacts on the fuel, cladding, and other components in the system during subsequent storage and disposal. A general lack of data suitable for model validation of commercial nuclear canister drying processes necessitates well-designed investigations of drying process efficacy and water retention that incorporate relevant physics and well-controlled boundary conditions. This report documents testing updates for the Advanced Drying Cycle Simulator (ADCS). This apparatus was built to simulate commercial drying procedures and quantify the amount of residual water remaining in a pressurized water reactor (PWR) fuel assembly after drying. The ADCS was constructed with a prototypic 17×17 PWR fuel skeleton and waterproof heater rods to simulate decay heat. These waterproof heaters are the next generation design to heater rods developed and tested at Sandia National Laboratories in FY20. This report describes preliminary testing of the ADCS through measurement and analysis of the thermal response of the system to a subset of commercial drying conditions that exclude the introduction of water, namely simulated decay heats and pressures relevant to commercial drying. This test series, referred to as a “dry” test series in this report, spans three uniform waterproof heater rod powers (representing spent fuel decay heats), four helium fill pressures, and six vacuum levels. This test series was conducted to cover the range of expected ADCS testing conditions for upcoming “wet” testing, where water will be introduced and a simulated commercial drying cycle will be performed. The dry test conditions were derived from the commercial drying conditions seen in the High Burnup Demonstration and the vacuum drying conditions chosen for a smaller scale Dashpot Drying Apparatus tested at Sandia National Laboratories in FY22. For a given uniform power and pressure/vacuum level, the ADCS was operated at constant power and pressure and allowed to reach steady state conditions. The thermal data obtained from these tests were analyzed, and the results can inform computational models built to simulate commercial drying processes by providing baseline thermal data prior to the introduction of water. Following the preliminary dry tests, a test plan for the ADCS will be developed to implement a drying procedure that begins with the introduction of water to the system and is based on measurements from the drying process used for the High Burnup Demonstration Project. While applying power to the simulated fuel rods, this procedure is expected to consist of filling the ADCS vessel with water, draining the water with applied pressure and multiple helium blowdowns, evacuating additional water with a vacuum drying sequence at successively lower pressures, and backfilling the vessel with helium. Additional investigations are expected to feature failed fuel rod simulators with engineered cladding defects and guide tubes with obstructed dashpots to challenge the drying system with multiple water retention sites. The data from these investigations is expected to inform the efficacy of commercial drying operations through the quantification of residual water in a prototypic-length dry storage canister.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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↗

Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells

Models capture the force response for single-cell and cell-string levels to within 15%-20% accuracy and predict the location for the origin of failure based on the deformation data from the experiments. At the module level, there is some discrepancy due to poor mechanical characterization of the packaging material between the cells. The thermal response (location and value of maximum temperature) agrees qualitatively with experimental data. In general, the X-plane results agree with model predictions to within 20% (pending faulty thermocouples, etc.); the Z-plane results show a bigger variability both between the models and test-results, as well as among multiple repeats of the tests. The models are able to capture the timing and sequence in voltage drop observed in the multi-cell experiments; the shapes of the current and temperature profiles need more work to better characterize propagation. The cells within packaging experience about 60% less force under identical impact test conditions, so the packaging on the test articles is robust. However, under slow-crush simulations, the maximum deformation of the cell strings with packaging is about twice that of cell strings without packaging.

25 ENERGY STORAGE↗

Thermal simulation of the EIC HSR interconnect module - RF fingers

The Electron Ion Collider (EIC) Hadron Storage Ring (HSR) will reuse most of the existing superconducting magnets from the RHIC storage ring. However, the existing beam vacuum chamber and stripline BPMs will not be compatible with the planned EIC hadron bunches that will have a 3x higher intensity and be 10x shorter, and some operational scenarios with large radial offsets of the beam in the vacuum chamber. To address these challenges, a copper coated beam screen will be implemented, the existing RHIC stripline BPMs will be shielded and an interconnect module design, including new BPM will be installed adjacent to the existing BPMs. A thermal analysis of the new arc BPM interconnect housing has been conducted to assess the heating caused by beam induced resistive wall heating and electron cloud heating. An analysis of the BPM module has been made and reported separately. This report will focus on the other side of the interconnect module, containing the RF fingers.

43 PARTICLE ACCELERATORS↗

Thermal simulation of the HSR arc BPM Module for EIC

The Electron Ion Collider (EIC) Hadron Storage Ring (HSR) will reuse most of the existing superconducting magnets from the RHIC storage ring. However, the existing stripline beam position monitors (BPM) used for RHIC will not be compatible with the planned EIC hadron beam parameters that include higher intensity, shorter bunches, and some operational scenarios with large radial offsets of the beam in the vacuum chamber. To address these challenges, the existing RHIC stripline BPMs will be shielded, and a new BPM design using button pick-ups and integrated in a new vacuum interconnect/bellows assembly that will be installed adjacent to the existing BPMs. A thermal analysis of the new arc BPM housing and button pick-up design has been conducted to assess the effects caused by beam induced resistive wall heating and signal propagation through the button pick-up cables for several operational scenarios. This report will describe the analysis results to quantify the heat transfer and temperature distribution that can be expected on the new HSR cryogenic arc BPM housings, button pick-ups, and cryo-signal cables.

43 PARTICLE ACCELERATORS↗

3DThesis (3D THErmal Simulation Software)

There is a need for a way to simulate the heat transfer conditions for the entire layer of a build (both temperature and solidification gradient and velocity). CFD models could do this but those may take months to finish a simulation. The solution is an adaptive integration scheme for a analytic, conduction-only approach for a volumetric Gaussian heat source. Because this is analytic, it also allows increased functionality as well. 3DThesis can simulate heat transfer conditions for a volumetric Gaussian heat source moving in an arbitrary path at a point in time. This allows for the calculation of discrete snapshots of the temperature field or even the final solidification gradients and velocities.

Stump, Benjamin↗

Effect of Deformation Parameters on Microstructure and Properties During DIFT of X70HD Pipeline Steel

Grain refinement is a critical approach to improve the strength of materials without damaging the toughness. The grains of deformation-induced ferrite are considerably smaller than those of proeutectoid ferrite. Grain refinement is crucial to the application of deformation-induced ferrite. The composition of ferrite and bainite or martensite is important in controlling the performance of X70HD pipeline steel, and cooling significantly influences the control of their ratio and grain size. By analyzing the static and dynamic phase-transition points using Gleeble-3800 thermal simulator, thermal simulations were performed through two-stage deformations in the austenite zone. Ferrite transformation rules were studied with thermal simulation tests under different deformation and cooling parameters based on the actual production of cumulative deformation. The influence of deformation parameters on the microstructure transformation was analyzed. Numerous fine-grain deformation-induced ferrites were obtained by regulating various parameters, including deformation temperature, strain rate, cooling rate, final cooling temperature and other parameters. Results of metallographic observation and microtensile testing revealed that the selection of appropriate parameters can refine the grains and improve the performance of the X70HD pipeline steel.

36 MATERIALS SCIENCE↗

Model Form Error Correction for a Black-Box Thermal Battery Heat Transfer Simulation

Thermal batteries are crucial for supplying power to high-consequence engineering applications such as rockets. Computational simulations have been developed to predict thermal battery behavior, but these simulations often suffer from modeling errors, including model form uncertainty. Addressing this uncertainty can be achieved by quantifying either the model discrepancy in the output or the model form error (MFE) in the governing equation. MFE is particularly valuable as it can be better extrapolated beyond observed outputs, which is essential for predictions involving changes in external system loading, system configuration and geometry, or output quantities. This paper employs a state estimation approach to estimate MFE using experimental data and then utilizes machine learning (ML) to model its relationship with state variables. A nonintrusive technique is used to estimate MFE in a black-box thermal battery heat transfer simulation. The trained machine learning model for MFE is then applied to correct simulation predictions under extrapolated initial conditions and battery configurations. In conclusion, the methodology's performance is evaluated using additional experimental data, demonstrating its effectiveness in improving prediction accuracy.

Batteries↗