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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 145 records · Page 8

Structural materials from lunar simulants through thermal liquefaction

Thermal liquefaction that allows development of intermediate ceramic composites from a lunar simulant with various admixtures is used to develop structural materials for construction on the moon. Bending and compressive properties of resulting composites are obtained from laboratory tests and evaluated with respect to the use of three different types and fibers.

Desai, Chandra S.↗

Unification of nonequilibrium molecular dynamics and the mode-resolved phonon Boltzmann equation for thermal transport simulations

Nano-size confinement induces many intriguing non-Fourier heat conduction phenomena, such as nonlinear temperature gradients, temperature jumps near the contacts, and size-dependent thermal conductivity. Over the past decades, these effects have been studied and interpreted by nonequilibrium molecular dynamics (NEMD) and phonon Boltzmann transport equation (BTE) simulations separately, but no theory that unifies these two methods has ever been established. In this work, we unify these methods using a quantitative mode-level comparison and demonstrate that they are equivalent for various thermostats. We show that different thermostats result in different non-Fourier thermal transport characteristics due to the different mode-level phonon excitations inside the thermostats, which explains the different size-dependent thermal conductivities calculated using different reservoirs, even though they give the same bulk thermal conductivity. Specifically, the Langevin thermostat behaves like a thermalizing boundary in phonon BTE and provides mode-level thermal-equilibrium phonon outlets, while the Nose-Hoover chain thermostat and velocity rescaling method behave like biased reservoirs, which provide a spatially uniform heat generation and mode-level nonequilibrium phonon outlets. These findings explain why different experimental measurement methods can yield different size-dependent thermal conductivity. They also indicate that the thermal conductivity of materials can be tuned for various applications by specifically designing thermostats. Finally, the unification of NEMD and phonon BTE will largely facilitate the study of thermal transport in complex systems in the future by, e.g., replacing computationally unaffordable first-principles NEMD simulations with computationally less expensive spectral BTE simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Three-dimensional simulation of thermal harmonic lasing free electron laser with detuning of the fundamental

Detuning of the fundamental is a way to enhance harmonic generation. By this method, the wiggler is composed of two segments in such a way that the fundamental resonance of the second segment to coincide with the third harmonic of the first segment of the wiggler to generate extreme ultraviolet radiation and x-ray emission. A set of coupled, nonlinear, and first-order differential equations in three dimensions describing the evolution of the electron trajectories and the radiation field with warm beam is solved numerically by CYRUS 3D code in the steady-state for two models (1) seeded free electron laser (FEL) and (2) shot noise on the electron beam (self-amplified spontaneous emission FEL). Thermal effects in the form of longitudinal velocity spread are considered. Three-dimensional simulation describes self-consistently the longitudinal spatial dependence of radiation waists, curvatures, and amplitudes together with the evaluation of the electron beam. The evolutions of the transverse modes are investigated for the fundamental resonance and the third harmonic. Also, the effective modes of the third harmonic are studied. In this paper, we found that detuning of the fundamental with shot noise gives more optimistic result than the seeded FEL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Selection of a Data Acquisition and Controls System Communications and Software Architecture for Johnson Space Center's Space Environment Simulation Laboratory Thermal and Vacuum Test Facilities

Upgrade of data acquisition and controls systems software at Johnson Space Center's Space Environment Simulation Laboratory (SESL) involved the definition, evaluation and selection of a system communication architecture and software components. A brief discussion of the background of the SESL and its data acquisition and controls systems provides a context for discussion of the requirements for each selection. Further framework is provided as upgrades to these systems accomplished in the 1990s and in 2003 are compared to demonstrate the role that technological advances have had in their improvement. Both of the selections were similar in their three phases; 1) definition of requirements, 2) identification of candidate products and their evaluation and testing and 3) selection by comparison of requirement fulfillment. The candidates for the communication architecture selection embraced several different methodologies which are explained and contrasted. Requirements for this selection are presented and the selection process is described. Several candidates for the software component of the data acquisition and controls system are identified, requirements for evaluation and selection are presented, and the evaluation process is described.

Jordan, Eric A.↗

A Comparative Analysis on Microstructure and Fracture Mechanism of X100 Pipeline Steel CGHAZ Between Laser Welding and Arc Welding

The objective of this study is to compare and contrast the differences in microstructure and fracture mechanism between CGHAZ of laser welding and submerged arc welding in X100 pipeline steel. The single-pass welding thermal simulation test of laser welding and submerged arc welding was carried out in MMS-200 thermal simulation test machine using self-made fixtures. The results indicated that the microstructure of laser welding CGHAZ and submerged arc welding CGHAZ was lath martensite and granular bainite, respectively. The impact energy of laser welding CGHAZ was 27 J, and the fracture mode was ductile fracture; the impact energy of submerged arc welding CGHAZ was 7.7 J, and the fracture mode was brittle fracture. The nucleation and propagation mechanism of cracks in different welding modes was established. Microcracks nucleated at the position of dislocation accumulation and remained austenite suppressed crack nucleation in laser welding CGHAZ. The nucleation site was at the M–A constituents in submerged arc welding CGHAZ. The main crack of laser welding CGHAZ was formed by one or a small number of microcracks. The main crack in submerged arc welding CGHAZ was formed by a large number of microcracks. The difference between crack nucleation and propagation mechanism is the reason why the impact energy of laser welding CGHAZ is higher than of submerged arc welding CGHAZ.

36 MATERIALS SCIENCE↗

A round bobbin critical current measurement and thermal runaway simulation of REBCO coated conductors

A round bobbin test has been widely used to measure critical current Ic of practical superconductors including Nb–Ti, Nb3Sn, and Bi-2212 round strands at 4.2 K and in high magnetic fields but rarely used for rare earth-barium-copper-oxide (REBCO) coated conductor tapes. Here, we applies this method to REBCO tapes and test their Ic at 77 K, self-field, and 4.2 K with a magnetic field of 14 T applied parallel to the tape. The sample carries very high current densities; it is 1.3 m long and has a dense array of voltage taps that allows probing localized thermal runaways and correlation with Ic variations along the length. At 77 K, the Ic values of all sections were measured and found to be rather uniform. However, at 4.2 K, we found that a 3 cm section has 90% of the overall voltage drop and it went into thermal runaways upon further increasing current. Thus, at 4.2 K, we were prevented by localized thermal runaways and unable to determine Ic of most of the REBCO conductor sections; this behavior is different from Bi-2212 and Bi-2223 for which Ic of all turns of a round barrel sample can be determined. We simulate REBCO tapes during current ramping to a thermal runaway and analyze impacts of various factors including cooling, conductor n-values, and thickness of stabilizer on the thermal runaway current Iq. The combined experiments and simulations identify n-value as a crucial factor that leads to the observed differences between Bi-2212 and REBCO. Together with cooling and the standard deviation of Ic variations along the length, the n-value determines whether Iq is above or below the average Ic of a long piece of conductor and their ratio Iq/Ic,ave, greatly affecting quench detection and thermal runaway prevention strategies of Bi-2212 and REBCO magnets.

Mosat, Marek↗

Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy

Developing new materials to be applied in extreme environments is an opportunity and a challenge for the future. High entropy alloys are new materials that seem promising approaches to work in nuclear fusion reactors. In this work, FeTaTiVW high entropy alloys were developed and characterized with Molecular Dynamic and Hybrid Molecular Dynamic Monte Carlo simulations. The simulation results show that phase separation originates a lower potential energy per atom and a high level of segregation compared to those of a uniform solid solution. Moreover, the experimental diffractogram of the milled powder shows the formation of a body-centred cubic-type structure and the presence of TiO2. In addition, the microstructure of the consolidated material evidenced three phases: W-rich, Ti-rich, and a phase with all the elements. This phase separation observed in the microstructure agrees with the Hybrid Molecular Dynamic Monte Carlo simulation. Moreover, the consolidated material’s thermal conductivity and specific heat are almost constant from 25 °C to 1000 °C, and linear expansion increases with increasing temperature. On the other hand, specific heat and thermal expansion values are in between CuCrZr and W values (materials chosen for the reactor walls). The FeTaTiVW high entropy alloy evidences a ductile behaviour at 1000 °C. Therefore, the promising thermal properties of this system can be attributed to the multiple phases and systems with different compositions of the same elements, which is exciting for future developments.

Martins, Ricardo (ORCID:0000000177685704)↗

Simulation of thermal reset transitions in resistive switching memories including quantum effects

An in-depth study of reset processes in RRAMs (Resistive Random Access Memories) based on Ni/HfO{sub 2}/Si-n{sup +} structures has been performed. To do so, we have developed a physically based simulator where both ohmic and tunneling based conduction regimes are considered along with the thermal description of the devices. The devices under study have been successfully fabricated and measured. The experimental data are correctly reproduced with the simulator for devices with a single conductive filament as well as for devices including several conductive filaments. The contribution of each conduction regime has been explained as well as the operation regimes where these ohmic and tunneling conduction processes dominate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spatiotemporal parallelization of an analytical heat conduction model for additive manufacturing via a hybrid OpenMP + MPI approach

The ability to do thermal simulations for entire additive manufacturing builds is a key computational problem facing the additive manufacturing community; however, complex numerical models considering multiple physical phenomena currently do not have the capacity for simulations at this scale. To this end, conduction only analytic models offer a viable approach due to the massive drop in computational expense. In this work, we extend an existing implementation which uses a governing equation which can be evaluated at any point in space and time. This implementation already utilizes OpenMP with a spatial decompositions scheme stemming from a melt pool tracking algorithm. Furthermore, we then combine this with a parallel in time (PinT) approach to make the problem highly parallelizable. The new scheme, which uses MPI for internode communication and OpenMP for intranode communication, is shown to scale very well across multiple computational nodes. This approach results in the ability to simulate the 3D solidification conditions for entire layers of additively manufactured parts in minutes making part scale thermal simulations more practical.

36 MATERIALS SCIENCE↗

Development and Integration of a Thermal Management Simulation for a Quadrotor Parallel Hybrid Propulsion System

This paper details the development of a propulsion system simulation for a six-passenger parallel hybrid quadrotor and utilizes the Numerical Propulsion System Simulation (NPSS) along with the NPSS Power System Library as the development environment. This simulation integrates an engine power plant with an electrical generation and distribution system and includes the required thermal management system. The thermal management system is comprised of liquid cooling loops that reject the heat load through air to coolant heat exchangers and utilizes a map-based performance estimation method. This method is developed within NPSS and detailed in this paper. The full system model is designed to predict system weight, range, and performance through a proposed mission profile. Results of the paper show an all-engine system maintains the best range, while a mostly electric system that utilizes an engine as a backup or a conditional power contributor offers range benefit.

Vertical lift and take off vehicle↗

Development and Integration of a Thermal Management Simulation for a Quadrotor Parallel Hybrid Propulsion System

This paper details the development of a propulsion system simulation for a six-passenger parallel hybrid quadrotor and utilizes the Numerical Propulsion System Simulation (NPSS) along with the NPSS Power System Library as the development environment. This simulation integrates an engine power plant with an electrical generation and distribution system and includes the required thermal management system. The thermal management system is comprised of liquid cooling loops that reject the heat load through air to coolant heat exchangers and utilizes a map-based performance estimation method. This method is developed within NPSS and detailed in this paper. The full system model is designed to predict system weight, range, and performance through a proposed mission profile. Results of the paper show an all-engine system maintains the best range, while a mostly electric system that utilizes an engine as a backup or a conditional power contributor offers range benefit.

Vertical lift and take off vehicle↗

Mechanical Abuse Simulation and Thermal Runaway Risks of Large-Format Li-ion Batteries

Internal short circuit of large-format Li-ion cells induced by mechanical abuse was simulated using a modified mechanical pinch test. A torsion force was added manually at ~40% maximum compressive loading force during the pinch test. The cell was twisted about 5 degrees to the side by horizontally pulling a wire attached to the anode tab. The combined torsion-compression force created small enough failure at the separator and allowed testing of fully charged large format Li-ion cells without triggering thermal runaway. Two types of commercial cells were tested using 4-6 cells at each state-of-charge (SOC). The 18 Ah LiFePO 4 (LFP) and 25 Ah Li(NiMnCo) 1/3 O 2 (NMC) cells were tested and the thermal runaway risk (TRR) score system was used to evaluate the safety risk of the cells under the same testing conditions. The aim is to provide the cell manufacturers and end users a tool to compare different designs and safety features.

25 ENERGY STORAGE↗

Thermal Modeling and Simulation of the Packed-bed Thermal Energy Storage Combined with INL Thermal Energy Distribution System

Dynamic Energy Transport and Integration Lab (DETAIL) at Idaho National Laboratory is to support experimental demonstration and validation research on Nuclear-Renewable Hybrid Energy System [1]. The Thermal Energy Distribution System (TEDS) is a thermal-hydraulic flow loop in DETAIL with its own dedicated control system to support the integration of co-located multiple experimental systems, where a packed-bed thermal energy storage (TES) is installed as a thermal buffer and storage unit. Among various TES options, the packed-bed TES is adopted in TEDS because it offers a low-cost single-tank thermal storage option compared to the traditional two-tank TES. However, since the TES tank is filled with granular fillers having different thermophysical properties from those of TES tank wall, there is a potential thermo-mechanical issue to be carefully addressed like thermal ratcheting which may pose a significant design concern for the packed-bed TES tank. Thermal ratcheting is a thermomechanical process caused by the repeated rearrangement of granular filler inside a TES tank during continuous thermal cycling operation of the packed-bed TES system. If the thermally induced stress exceeds the yield strength of a TES tank wall, catastrophic consequences may happen like rupture of the TES tank. Thus, it is important to understand the phenomenon to ensure the robust operation of the packed-bed TES tank. Given that thermal ratcheting is caused by complex interaction of thermal transport in the porous bed and solid mechanics, the accurate prediction of transient thermal behavior of the packed-bed TES tank, which is the focus of this paper, is critical to the reliable thermal ratcheting analysis. This paper discusses the numerical modeling, simulation, and validation studies that are ongoing at INL to investigate the transient thermal behavior of the packed-bed TES. Of particular concern is the transient thermal process occurring in the packed-bed TES unit that is operated in conjunction with the INL TEDS. The main goal of this research is three-fold: (i) provide preliminary insights into the transient thermal behavior of the TEDS TES tank, (ii) support the thermal measurement and validation plan for TEDS experiment, and (iii) provide transient thermal boundary conditions to support the reliable thermal ratcheting analysis of the TEDS TES tank. For the transient thermal modeling and analysis, a CFD model was developed, and the validity of the modeling approach was examined via comparing the numerical simulation results with the experimental data obtained from various design characteristics of packed-bed TES tanks. Then, the present modeling method was applied for the transient thermal analysis of the TEDS TES tank, and the results are discussed along with the potential improvement of data acquisition strategy for the future TEDS experiments for more precise validation study.

25 ENERGY STORAGE↗

Study of the shape of an optical window in a super-resolution state by electromagnetic-thermal coupled simulation: Effects of melting of an active layer in an optical disc

We performed a multi-physics simulation for the propagation of electromagnetic waves and heat conduction in a super-resolution optical disc that includes an active layer of InSb. Because the change in the optical constant of InSb due to the phase transition is taken into account, the melting of the active layer can be realistically simulated in our calculation. It was found that in the case of an incident light power (P) of 2 mW, a profile of the electric field intensity transmitted through the InSb layer has an asymmetric shape with a narrow peak. This beam-narrowing was suggested to be an essential mechanism of the super-resolution, because a narrower light beam allows the detection of a smaller pit structure than the optical diffraction limit. This beam-narrowing was found to be originating from a small molten region produced in the InSb layer, which works as a mask for light exposure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cyclotron Resonant Scattering Feature Simulations I. Thermally Averaged Cyclotron Scattering Cross Sections, Mean Free Photon-Path Tables, and Electron Momentum Sampling

Electron cyclotron resonant scattering features (CRSFs) are observed as absorption-like lines in the spectra of X-ray pulsars. A significant fraction of the computing time for Monte Carlo simulations of these quantum mechanical features is spent on the calculation of the mean free path for each individual photon before scattering, since it involves a complex numerical integration over the scattering cross section and the (thermal) velocity distribution of the scattering electrons. We aim to numerically calculate interpolation tables which can be used in CRSF simulations to sample the mean free path of the scattering photon and the momentum of the scattering electron. The tables also contain all the information required for sampling the scattering electron's final spin. The tables were calculated using an adaptive Simpson integration scheme. The energy and angle grids were refined until a prescribed accuracy is reached. The tables are used by our simulation code to produce artificial CRSF spectra. The electron momenta sampled during these simulations were analyzed and justified using theoretically determined boundaries. We present a complete set of tables suited for mean free path calculations of Monte Carlo simulations of the cyclotron scattering process for conditions expected in typical X-ray pulsar accretion columns (0.01 B/B(sub crit) is less than or equal to 0.12, where B(sub crit) = 4.413 x 1013 G, and 3 keV kBT 15 keV). The sampling of the tables is chosen such that the results have an estimated relative error of at most 1/15 for all points in the grid. The tables are available online (see link in footnote, page 1).

Schwarm, F.-W.↗

AlGaN/GaN field effect transistors for power electronics—Effect of finite GaN layer thickness on thermal characteristics

AlGaN/GaN heterostructure field effect transistors with a 150 nm thick GaN channel within stacked Al{sub x}Ga{sub 1−x}N layers were investigated using Raman thermography. By fitting a thermal simulation to the measured temperatures, the thermal conductivity of the GaN channel was determined to be 60 W m{sup −1} K{sup −1}, over 50% less than typical GaN epilayers, causing an increased peak channel temperature. This agrees with a nanoscale model. A low thermal conductivity AlGaN buffer means the GaN spreads heat; its properties are important for device thermal characteristics. When designing power devices with thin GaN layers, as well as electrical considerations, the reduced channel thermal conductivity must be considered.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Zero-gravity transient thermal mixing simulation

The experimental program described is an outgrowth of independent investigations into alternate redesign concepts for the Apollo SM cryogenic oxygen storage system. The experiments were continued, after the redesign was established, to provide physical insight into transient thermal mixing in zero-gravity and to aid in the characterization of the system performance in flight. Zero-gravity heat transfer and fluid mixing were simulated experimentally through an analogy between unsteady heat conduction and species diffusion. To further support numerical analyses of the cryogenic oxygen storage system, the experimental investigation was extended to include a cubical tank geometry, representative of existing numerical models. In general, the transient flow patterns in the cubical tank are far more complex than those of the spherical tank and the extent of fluid mixing is significantly greater but less repeatable.

Lands, J. F., Jr.↗