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At least 181 records · Page 10

Modeling cell venting and gas-phase reactions in 18650 lithium ion batteries during thermal runaway

A numerical model is developed to study cell venting, internal pressure, and gas-phase dynamics behavior of 18650 Li-ion cells undergoing thermal runaway. A k-e Reynolds-Averaged Navier-Stokes (RANS) model is adopted to describe the turbulent flow out of the cells, while the fluid dynamics inside the cells is described by Darcy-Forchheimer's equation. Thermal abuse reactions and gas generation kinetics are described by a single-step lumped reaction model. Then, a series of computational fluid dynamics (CFD) simulations are conducted on a single 18650 cell at various states-of-charge (100%, 50%, 25%) to study detailed flow and thermal behavior as a function of quantity of gas generated during cell venting. Venting events are categorized into two stages: i) breaching of the cell container and ii) thermal runaway reactions. It is found that the cell response is dominated by the second stage since most of the gases are generated during thermal runaway. Also, the propensity for propagation is highly affected by state-of-charge (SOC). Cells at higher SOCs produce more heat and gas during the venting event, owing to higher mass and concentrations of reacting gases, and consequently reach higher internal cell pressures which increase the risk of side-wall breaching.

25 ENERGY STORAGE↗

Gas Generation Models for Thermal Runaway in Lithium Ion Batteries

A numerical model is implemented to study cell venting, internal pressure, and gas-phase dynamics behavior of Li-ion cells undergoing thermal runaway. A k-ɛ Reynolds-Averaged Navier-Stokes (RANS) model is adopted to describe the turbulent flow out of the cells, while the fluid dynamics inside the cells is described by Darcy-Forchheimer’s equation. Thermal abuse reactions and gas generation kinetics are described by a single-step lumped reaction model. A series of computational fluid dynamics (CFD) simulations are conducted on a single cell at various states-of-charge (100%, 50%, 25%) to demonstrate detailed flow and thermal behavior as a function of quantity of gas generated during cell venting. Venting events are categorized into two stages: i) breaching of the cell container and ii) thermal runaway reactions. It is shown that the cell response is dominated by the second stage since most of the gases are generated during thermal runaway. Also, the propensity for propagation is highly affected by state-of-charge (SOC). Cells at higher SOCs produce more heat and gas during the venting event, owing to higher mass and concentrations of reacting gases, and consequently reach higher internal cell pressures which increase the risk of side-wall breaching.

Kim, Jinyong↗

Guidelines for the Selection of Near-Earth Thermal Environment Parameters for Spacecraft Design

Thermal analysis and design of Earth orbiting systems requires specification of three environmental thermal parameters: the direct solar irradiance, Earth's local albedo, and outgoing longwave radiance (OLR). In the early 1990s data sets from the Earth Radiation Budget Experiment were analyzed on behalf of the Space Station Program to provide an accurate description of these parameters as a function of averaging time along the orbital path. This information, documented in SSP 30425 and, in more generic form in NASA/TM-4527, enabled the specification of the proper thermal parameters for systems of various thermal response time constants. However, working with the engineering community and SSP-30425 and TM-4527 products over a number of years revealed difficulties in interpretation and application of this material. For this reason it was decided to develop this guidelines document to help resolve these issues of practical application. In the process, the data were extensively reprocessed and a new computer code, the Simple Thermal Environment Model (STEM) was developed to simplify the process of selecting the parameters for input into extreme hot and cold thermal analyses and design specifications. In the process, greatly improved values for the cold case OLR values for high inclination orbits were derived. Thermal parameters for satellites in low, medium, and high inclination low-Earth orbit and with various system thermal time constraints are recommended for analysis of extreme hot and cold conditions. Practical information as to the interpretation and application of the information and an introduction to the STEM are included. Complete documentation for STEM is found in the user's manual, in preparation.

Anderson, B. J.↗

Comparative Analysis of the Effects of Severe Plastic Deformation and Thermomechanical Training on the Functional Stability of Ti50.5Ni24.5Pd25 High-Temperature Shape Memory Alloy

We compare the effectiveness of a conventional thermomechanical training procedure and severe plastic deformation via equal channel angular extrusion to achieve improved functional stability in a Ti50.5Ni24.5Pd25 high-temperature shape memory alloy. Thermomechanical testing indicates that both methods result in enhanced shape memory characteristics, such as reduced irrecoverable strain and thermal hysteresis. The mechanisms responsible for the improvements are discussed in light of microstructural findings from transmission electron microscopy.

Atli, K. C.↗

Formation, Structure and Properties of Amorphous Carbon Char from Polymer Materials in Extreme Atmospheric Reentry Environments

Amorphous carbonaceous char produced from the pyrolysis of polymer solids has many desirable properties for ablative heat shields for space vehicles. Molecular dynamics simulations are presented to study the transformation of the local atomic structure from virgin polymer to a dense, disordered char [1]. Release of polymer hydrogen is found to be critical to allow the system to collapse into a highly coordinated char structure. Mechanisms of the char formation process and the morphology of the resulting structures are elucidated. Thermal conductivity and mechanical response of the resulting char are evaluated [2]. During reenty, the optical response and oxidative reactivity of char are also important properties. Results of ab initio computations of char optical functions [3] and char reactivity [4] are also presented.

Lawson, John W.↗

FOXSI-2 Solar Microflares: Multi-Instrument Differential Emission Measure Analysis

Outline: Overview of FOXSI-2 (Focusing Optics X-ray Solar Imager) coordinated microflare observations with Hinode/XRT (X-Ray Telescope) and SDO/AIA (Solar Dynamics Observatory/Atmospheric Imaging Assembly); Temperature response functions for FOXSI-2, XRT and AIA; Combined Differential Emission Measure (DEM) analysis - to determine the amount of plasma in the line of sight that emits the radiation as a function of temperature; Thermal energy released during the microflares; Summary.

Athiray, P. S.↗

Optical properties of cubic boron arsenide

The ultrahigh thermal conductivity of cubic boron arsenide (BAs) makes it a promising material for next-generation electronics and optoelectronics. Here, we report measured optical properties of BAs crystals, including the complex dielectric function, refractive index, and absorption coefficient in the ultraviolet, visible, and near-infrared wavelength range. In this work, the data were collected at room temperature using spectroscopic ellipsometry and transmission and reflection spectroscopy. We further calculated the optical response using density functional theory and many-body perturbation theory, considering quasiparticle and excitonic corrections. The computed values for the direct and indirect bandgaps (4.25 eV and 2.07 eV) agree well with the measured results (4.12 eV and 2.02 eV). Our findings pave the way for using BAs in future electronic and optoelectronic applications that take advantage of its demonstrated ultrahigh thermal conductivity and predicted high ambipolar carrier mobility.

74 ATOMIC AND MOLECULAR PHYSICS↗

The Impact of Nonequilibrium Ionization on SDO/AIA and Hinode/EIS Observations of Impulsively Heated Plasmas

Most plasma diagnostics assume the emitting material is in a state of ionization equilibrium. For example, the AIA temperature response functions have been derived on this basis. The assumption is reasonable whenever the plasma is evolving slowly or is very dense, but these are not the conditions that apply during impulsive heating events. It is now widely believed that many coronal loops are bundles of unresolved strands that are heated quasi-randomly by nanoflares. Full blown flares are thought to have similar sub-structure. We have studied the importance of nonequilibrium effects in these circumstances by modeling nanoflare-heated loops and simulating their observation by AIA and the EIS spectrometer on Hinode. We find that the intensities of hot emission lines can be highly suppressed and that the net emission from the loop tends to be dominated by strands that have entered a slow cooling phase, well after the impulsive energy release has ended. The hottest strands are relatively invisible, both because they are tenuous and because they cool rapidly by thermal conduction. Thus, AIA channels that are normally thought of as being sensitive to hot plasma, such 131 and 94, are in fact frequently not able to detect the hot plasma that is present. The magnitude of the effect is case dependent. Great care must be exercised when using the standard temperature response functions in situations where nonequilibrium ionization is likely to be important.

Klimchuk, James A.↗

Age alters the cardiovascular response to direct passive heating

During direct passive heating in young men, a dramatic increase in skin blood flow is achieved by a rise in cardiac output (Qc) and redistribution of flow from the splanchnic and renal vascular beds. To examine the effect of age on these responses, seven young (Y; 23 +/- 1 yr) and seven older (O; 70 +/- 3 yr) men were passively heated with water-perfused suits to their individual limit of thermal tolerance. Measurements included heart rate (HR), Qc (by acetylene rebreathing), central venous pressure (via peripherally inserted central catheter), blood pressures (by brachial auscultation), skin blood flow (from increases in forearm blood flow by venous occlusion plethysmography), splanchnic blood flow (by indocyanine green clearance), renal blood flow (by p-aminohippurate clearance), and esophageal and mean skin temperatures. Qc was significantly lower in the older than in the young men (11.1 +/- 0.7 and 7.4 +/- 0.2 l/min in Y and O, respectively, at the limit of thermal tolerance; P < 0. 05), despite similar increases in esophageal and mean skin temperatures and time to reach the limit of thermal tolerance. A lower stroke volume (99 +/- 7 and 68 +/- 4 ml/beat in Y and O, respectively, P < 0.05), most likely due to an attenuated increase in inotropic function during heating, was the primary factor for the lower Qc observed in the older men. Increases in HR were similar in the young and older men; however, when expressed as a percentage of maximal HR, the older men relied on a greater proportion of their chronotropic reserve to obtain the same HR response (62 +/- 3 and 75 +/- 4% maximal HR in Y and O, respectively, P < 0.05). Furthermore, the older men redistributed less blood flow from the combined splanchnic and renal circulations at the limit of thermal tolerance (960 +/- 80 and 720 +/- 100 ml/min in Y and O, respectively, P < 0. 05). As a result of these combined attenuated responses, the older men had a significantly lower increase in total blood flow directed to the skin.

Clinical Trial↗

Thermomechanical properties and microstructures of yttrium hydride

Yttrium hydride is an optimal choice for a high-temperature moderator material in advanced thermal neutron spectrum reactors that require small core volumes. However, a complete database of the thermomechanical properties of yttrium hydride is not available yet, although it is much needed to understand and predict the moderator performance during service in reactors. In this paper, we report the properties of unirradiated bulk yttrium hydride as a function of hydrogen concentration—including density, crystal structure, specific heat capacity, thermal diffusivity, thermal conductivity, hardness, elastic/shear moduli, Poisson’s ratio, fracture strength, microstructure, and thermal stability—providing a baseline measurement for the subsequent neutron irradiation response study of yttrium hydride. Furthermore, the recommended empirical treatment of the data is suggested. In addition, other properties (i.e., hydrogen retention, thermal hydrogen migration, and irradiation response) that needs to be investigated are discussed.

36 MATERIALS SCIENCE↗

CISME report on experiments with HMX powder, PBX 9501 prills, and heated PBX 9501

The ability to predict post-ignition explosive response is relevant to explosives safety, particularly weapons assembly/disassembly operations that must operate under a sufficiently conservative safety basis to meet risk mitigation criteria for inadvertent nuclear detonation (IND). In particular, hazard determinations hinge on whether the PBX 9501 main charge can ultimately attain detonation from an initial, non-shock, ignition stimulus. The CISME experiment uses a spherical explosive charge, which is thermally ignited in the center using a fiber-delivered infrared laser pulse. This ignition mechanism - i.e. a localized thermal hotspot - is representative of the ignition-causing insults typical in accident scenarios, including low-velocity impact, drop, skid, and punch events. In fiscal year 2018 CISME experiments were conducted with pristine PBX 9501 spheres, confined and unconfined. Sub-detonative, low-violence reactions were observed. Here we report experiments conducted since 2018. The explosive charge was varied: experiments were conducted with room temperature pour-density HMX powder and prills of PBX 9501, and heated, thermally damaged PBX 9501. Experiments were conducted in a confined configuration, with two 4 mm-thick stainless-steel hemispherical shells bolted around the sphere. Detonation, via DDT (deflagration-to-detonation transition) was observed in the 3-inch diameter powdered HMX and the 6-inch diameter heated and thermally-damaged PBX 9501 tests. No transition to DDT was observed in smaller diameters for those configurations, and no DDT was observed for pour-density prills of PBX 9501 of any diameter. The original test series demonstrated that the response of pristine, undamaged PBX 9501 to a central ignition is relatively benign. This new test series shows that increased porosity, lack of polymer binders and thermal damage can greatly increase the violence of the post-ignition response, up to and including detonation. These results bridge the explosive response of PBX 9501 from sub-detonative through detonation as a function of diameter and provide valuable test cases for modeling efforts that strive to capture the DDT threshold. By exploring explosive response in a more representative 3D geometry, we can also benchmark these new results to more plentiful DDT datasets generated from testing in 1D tube confinement (the historical test configuration)–the configuration upon which almost all DDT models were developed.

42 ENGINEERING↗

Mt. Agung eruption as a confirmation of the effect of atmospheric radiative perturbations on climate

The effects of the 1963 Mt. Agung (Bali) volcanic eruption are studied with respect to the response of the climate system to global radiative perturbations. Volcanic aerosols, spread globally by stratospheric winds, cause a perturbation characterized by a reasonably well known forcing function. Since the climatic response to a large eruption should be pronounced, these phenomena might provide a means to test the validity of climate models. The Mt. Agung eruption is described, and the atmospheric thermal response is calculated. The magnitude, sign, and time delay of temperature changes computed with a simple one-dimensional climate model for both the stratosphere and troposphere are in agreement with the observed temperature changes.

Hansen, J. E.↗

Pyrolysis of polymeric materials. I - Effect of chemical structure, temperature, heating rate, and air flow on char yield and toxicity

Various polymeric materials, including synthetic polymers and cellulosic materials, were evaluated at different temperatures, heating rates and air flow rates for thermophysical and toxicological responses. It is shown that char yields appeared to be a function of air access as much as of the chemical structure of the material. It is stated that the sensitivity of the apparent thermal stability of some materials to air access is so marked that thermogravimetric studies in oxygen-free atmospheres may be a consistently misleading approach to comparing synthetic polymers intended to increase fire safety. Toxicity also appeared to be a function of temperature and air access as much as of the chemical structure of the material. Toxicity of the gases evolved seemed to increase with increasing char yield for some polymers.

Hilado, C. J.↗

The composition of Martian aeolian sands: Thermal emissivity from Viking IRTM observations

Aeolian sands provide excellent surfaces for the remote determination of the mineralogic composition of Martian materials, because such deposits consist of relatively well-sorted, uniform particle sizes and might consist of chemically unaltered, primary mineral grains derived from bedrock. Dark features on the floors of Martian craters are controlled by aeolian processes and many consist largely of unconsolidated, windblown sand. Measurement of the thermal emissivity of geologic materials provides a way to identify mid-infrared absorption bands, the strength and positions of which vary with mineral structure and composition. The Viking Infrared Thermal Mapper (IRTM) had four surface-sensing mid-IR bands, three of which, the 7, 9, and 11 micron channels, correspond to absorption features characteristic of carbonates, sialic, and mafic minerals, respectively. In this study, the highest quality IRTM data were constrained so as to avoid the effects of atmospheric dust, clouds, surface frosts, and particle size variations (the latter using data obtained between 7 and 9 H, and they were selected for dark intracrater features such that only data taken directly from the dark feature were used, so as to avoid thermal contributions from adjacent but unrelated materials. Three-point emissivity spectra of Martian dart intracrater features were compared with laboratory emission spectra of minerals and terrestrial aeolian sands convolved using the IRTM response function to the four IRTM spectral channels.

Edgett, Kenneth S.↗

Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages

Three widely used open-source packages for determining phonon properties and lattice thermal conductivities (ALAMODE, phono3py, and ShengBTE) are benchmarked by teams of expert users and the package developers. The phonons for Ge, RbBr, monolayer MoSe 2 , and AlN are modeled at zero temperature, and they scatter through three-phonon and phonon-isotope processes, with thermal conductivities obtained from the linearized Peierls–Boltzmann transport equation with input from density functional theory calculations. Over a wide range of temperatures, the thermal conductivities calculated by the teams fall within at most ±15% of their mean values for each of the four materials. The phonon frequencies, obtained from the harmonic force constants, do not show large differences between the calculations, indicating that the modal heat capacities and group velocities are not responsible for the thermal conductivity variations. It is the lifetimes associated with three-phonon scattering, obtained from the cubic force constants, that drive the variations. The many decisions required to calculate the cubic force constants (e.g., supercell size, atomic displacement, neighbor cutoff, and application of symmetries) make identification of the precise origin of the thermal conductivity variations challenging. The calculated thermal conductivities do not generally show agreement with experimental measurements, which is attributed to the limitations of the density functional theory calculations. Guidance for the development of best practices is provided, which will help to standardize protocols needed for building thermal conductivity databases. The results provide a baseline for future benchmarking of other packages and more advanced calculations.

McGaughey, Alan J. H. [Carnegie Mellon Univ., Pitt↗

Characterization of Ternary NiTiPd High-Temperature Shape-Memory Alloys under Load-Biased Thermal Cycling

While NiTiPd alloys have been extensively studied for proposed use in high-temperature shape-memory applications, little is known about the shape-memory response of these materials under stress. Consequently, the isobaric thermal cyclic responses of five (Ni,Pd)49.5Ti50.5 alloys with constant stoichiometry and Pd contents ranging from 15 to 46 at. pct were investigated. From these tests, transformation temperatures, transformation strain (which is proportional to work output), and unrecovered strain per cycle (a measure of dimensional instability) were determined as a function of stress for each alloy. It was found that increasing the Pd content over this range resulted in a linear increase in transformation temperature, as expected. At a given stress level, work output decreased while the amount of unrecovered strain produced during each load-biased thermal cycle increased with increasing Pd content, during the initial thermal cycles. However, continued thermal cycling at constant stress resulted in a saturation of the work output and nearly eliminated further unrecovered strain under certain conditions, resulting in stable behavior amenable to many actuator applications.

Bigelow, Glen S.↗

Dual-season thermal energy storage-integrated heat pump system for load shifting: experiments, modeling and nationwide analysis

Here, this paper proposes and validates a dual-season thermal energy storage-integrated heat pump (TES-HP) system that shifts building electric load in both cooling and heating modes using a single phase-change TES. The design uses the TES as a heat sink for the condenser in summer and a heat source for the evaporator in winter, thereby reducing on-peak electric demand while ensuring compatible with existing air-distribution systems. A 14-kW TES-HP prototype with six operating modes and novel refrigerant charge management strategies was experimentally tested under varied conditions. Subsequently, data-driven polynomial performance curves were developed and validated against experiments, then coupled with a phase change material (PCM) model and a calibrated building model within a rule-based controller. Single-day case studies demonstrated effective on-peak demand reduction while maintaining thermal comfort. During cooling, hourly power was lowered by up to 1.5 kW; in heating, average hourly power decreased from over 3.5 kW to 1.8 kW, compared to an HP-only system, achieving 64.5 % load shifting, and the need for resistance heating was eliminated. Seasonal simulations showed typical on-peak electricity savings of 25–35 % in cooling and 40–65 % in heating, with the largest benefits on the hottest and coldest days. Extended response-surface analysis and nationwide mapping quantified load shifting as functions of ambient and TES temperatures, revealing a seasonal trade-off in TES phase-change temperature. These results demonstrate the TES-HP system as a practical and scalable solution for grid-interactive buildings that reduces on-peak demand and electricity use while maintaining thermal comfort and enhancing grid flexibility and reliability.

Grid-interactive buildings↗