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All sources NASA NTRS DOE OSTI

NASA NTRS2022

Updraft Dynamics and Microphysics: On the Added Value of the Cumulus Thermal Reference Frame in Simulations of Aerosol–Deep Convection Interactions

One fundamental question about atmospheric moist convection processes that remains debated is whether or under what conditions a relevant variability in background aerosol concentrations may have a significant dynamical impact on convective clouds and their associated precipitation. Furthermore, current climate models must parameterize both the microphysical and the cumulus convection processes, but this is usually implemented separately, whereas in nature there is a strong coupling between them. As a first step to improve our understanding of these two problems, we investigate how aerosol concentrations modify key properties of updrafts in eight large-eddy permitting regional simulations of a case study of scattered convection over Houston, Texas, in which convection is explicitly simulated and microphysical processes are parameterized. Dynamical and liquid-phase microphysical responses are investigated using two different reference frames: static cloudy-updraft grid cells versus tracked cumulus thermals. In both frameworks we observe the expected microphysical responses to higher aerosol concentrations, such as higher cloud number concentrations and lower rain number concentrations. In terms of the dynamical responses, both frameworks indicate weak impacts of varying aerosol concentrations relative to the noise between simulations over the observationally derived range of aerosol variability for this case study. On the other hand, results suggest that thermals are more selective than cloudy-updraft grid cells in terms of sampling the most active convective air masses. For instance, vertical velocity from thermals is significantly higher at upper levels than when sampled from cloudy-updraft grid points, and several microphysical variables have higher average values in the cumulus thermal framework than in the cloudy-updraft framework. In addition, the thermal analysis is seen to add rich quantitative information about the rates and covariability of microphysical processes spatially and throughout tracked thermal lifecycles, which can serve as a stronger foundation for improving subgrid-scale parameterizations.

Daniel Hernandez-Deckers↗

DOE OSTI2022

Updraft dynamics and microphysics: on the added value of the cumulus thermal reference frame in simulations of aerosol–deep convection interactions

One fundamental question about atmospheric moist convection processes that remains debated is whether, or under which conditions, a relevant variability in background aerosol concentrations may have a significant dynamical impact on convective clouds and their associated precipitation. Furthermore, current climate models must parameterize both the microphysical and the cumulus convection processes, but this is usually implemented separately, whereas in nature there is a strong coupling between them. As a first step to improve our understanding of these two problems, we investigate how aerosol concentrations modify key properties of updrafts in eight large-eddy-permitting regional simulations of a case study of scattered convection over Houston, Texas, in which convection is explicitly simulated and microphysical processes are parameterized. Dynamical and liquid-phase microphysical responses are investigated using the following two different reference frames: static cloudy updraft grid cells versus tracked cumulus thermals. In both frameworks, we observe the expected microphysical responses to higher aerosol concentrations, such as higher cloud number concentrations and lower rain number concentrations. In terms of the dynamical responses, both frameworks indicate weak impacts of varying aerosol concentrations relative to the noise between simulations over the observationally derived range of aerosol variability for this case study. On the other hand, results suggest that thermals are more selective than cloudy updraft grid cells in terms of sampling the most active convective air masses. For instance, vertical velocity from thermals is significantly higher at upper levels than when sampled from cloudy updraft grid points, and several microphysical variables have higher average values in the cumulus thermal framework than in the cloudy updraft framework. In addition, the thermal analysis is seen to add rich quantitative information about the rates and covariability of microphysical processes spatially and throughout tracked thermal lifecycles, which can serve as a stronger foundation for improving subgrid-scale parameterizations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1979

Cryogenic thermal diode heat pipes

The development of spiral artery cryogenic thermal diode heat pipes was continued. Ethane was the working fluid and stainless steel the heat pipe material in all cases. The major tasks included: (1) building a liquid blockage (blocking orifice) thermal diode suitable for the HEPP space flight experiment; (2) building a liquid trap thermal diode engineering model; (3) retesting the original liquid blockage engineering model, and (4) investigating the startup dynamics of artery cryogenic thermal diodes. An experimental investigation was also conducted into the wetting characteristics of ethane/stainless steel systems using a specially constructed chamber that permitted in situ observations.

Alario, J.↗

DOE OSTI2021

Ab initio lattice thermal conductivity of Mg Si O 3 across the perovskite-postperovskite phase transition

Lattice thermal conductivity (κ lat ) of MgSiO 3 postperovskite (MgPPv) under the Earth's lower mantle high pressure-temperature conditions is studied using the phonon quasiparticle approach by combing ab initio molecular dynamics and lattice dynamics simulations. Phonon lifetimes are extracted from the phonon quasiparticle calculations, and the phonon group velocities are computed from the anharmonic phonon dispersions, which, in principle, capture full anharmonicity. Here, it is found that throughout the lowermost mantle, including the D” region, κ lat of MgPPv is ~25% larger than that of MgSiO 3 perovskite (MgPv), mainly due to MgPPv's higher phonon velocities. Such a difference in phonon velocities between the two phases originates in the MgPPv's relatively smaller primitive cell. Systematic results of temperature and pressure dependences of both MgPPv's and MgPv's κ lat are demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Analysis of heat transfer and AuNPs-mediated photo-thermal inactivation of E. coli at varying laser powers using single-phase CFD modeling

In the wake of the COVID-19 pandemics, the demand for innovative and effective methods of bacterial inactivation has become a critical area of research, providing the impetus for this study. The purpose of this research is to analyze the AuNPs-mediated photothermal inactivation of E. coli. Gold nanoparticles irradiated by laser represent a promising technique for combating bacterial infection that combines high-tech and scientific progress. The intermediate aim of the work was to present the calibration of the model with respect to the gold nanorods experiment. The purpose of this work is to study the effect of initial concentration of E. coli bacteria, the design of the chamber and the laser power on heat transfer and inactivation of E. coli bacteria. Using the CFD simulation, the work combines three main concepts. 1. The conversion of laser light to heat has been described by a combination of three distinctive approximations: a- Discrete particle integration to take into account every nanoparticle within the system, b- Rayleigh-Drude approximation to determine the scattering and extinction coefficients and c- Lambert–Beer–Bourger law to describe the decrease in laser intensity across the AuNPs. 2. The contribution of the presence of E. coli bacteria to the thermal and fluid-dynamic fields in the microdevice was modeled by single-phase approach by determining the effective thermophysical properties of the water-bacteria mixture. 3. An approach based on a temperature threshold attained at which bacteria will be inactivated, has been used to predict bacterial response to temperature increases. The comparison of the thermal fields and temporal temperature changes obtained by the CFD simulation with those obtained experimentally confirms the accuracy of the light-heat conversion model derived from the aforementioned approximations. The results show a linear relationship between maximum temperature and variation in laser power over the range studied, which is in line with previous experimental results. It was also found that the temperature inside the microchamber can exceed 55 °C only when a laser power higher than 0.8 W is used, so bacterial inactivation begins. The experimental data allows to determinate the concentration of nanoparticles. This parameter is introduced into the mathematical model obtaining the same number of AuNPs. However, this assumption introduces a certain simplification, as in the mathematical model the distribution of nanoparticles is uniform. This work is directly connected to the use of gold nanoparticles for energy conversion, as well as the field of bacterial inactivation in microfluidic systems such as lab-on-a-chip. Presented mathematical and numerical models can be extended to the entire spectrum of wavelengths with particular use of white light in the inactivation of bacteria. This work represents a significant advancement in the field, as to the best of the authors’ knowledge, it is the first to employ a single-phase computational fluid dynamics (CFD) approach specifically combined with the thermal inactivation of bacteria. Moreover, this research pioneers the use of a numerical simulation to analyze the temperature threshold of photothermal inactivation of E. coli mediated by gold nanorods (AuNRs). The integration of these methodologies offers a new perspective on optimizing bacterial inactivation techniques, making this study a valuable contribution to both computational modeling and biomedical applications.

36 MATERIALS SCIENCE↗

NASA NTRS1998

Radiation Heat Transfer Modeling Improved for Phase-Change, Thermal Energy Storage Systems

Spacecraft solar dynamic power systems typically use high-temperature phase-change materials to efficiently store thermal energy for heat engine operation in orbital eclipse periods. Lithium fluoride salts are particularly well suited for this application because of their high heat of fusion, long-term stability, and appropriate melting point. Considerable attention has been focused on the development of thermal energy storage (TES) canisters that employ either pure lithium fluoride (LiF), with a melting point of 1121 K, or eutectic composition lithium-fluoride/calcium-difluoride (LiF-20CaF2), with a 1040 K melting point, as the phase-change material. Primary goals of TES canister development include maximizing the phase-change material melt fraction, minimizing the canister mass per unit of energy storage, and maximizing the phase-change material thermal charge/discharge rates within the limits posed by the container structure.

Kerslake, Thomas W.↗

DOE OSTI2024

Real‐Time Observation of Slowed Charge Density Wave Dynamics in Thinned 1T‐TaS 2

Abstract Transient electrical pulsing is used to investigate the slowed charge density wave (CDW) kinetics of 1T‐TaS 2 . These measurements distinguish a fast response of the material, consistent with the onset of self‐heating, from much slower transients that occur on timescales orders of magnitude longer than this. The latter variations appear consistent with slow configurational changes in the CDW, which, due to the thin nature of the 1T‐TaS 2 , can be distinguished from the much faster dynamics of Joule heating. Experiments in which the cooling of the material is interrupted, demonstrate the possibility of “programming” it in different, strongly nonequilibrium, CDW phases. Collectively, the results point to the existence of a complex free‐energy space for the thinned material, whose multi‐valley structure and hidden metastable states govern the resulting thermal and field‐driven dynamics. Crucially, this work demonstrates that while the CDW dynamics in this material may have a thermal character, the timescales associated with these motions can be very different from those on which self‐heating occurs. This discovery will be important for efforts to implement active devices that utilize the CDW states of thinned 1T‐TaS 2 .

Yin, Shenchu↗

NASA NTRS1974

A model of heat transfer in immersed man

An equation representing man's thermal balance under water is considered. The equation states that the body thermal loading from metabolic heat production and artificial heat input must be offset by respiratory and environmental heat exchange to maintain a constant body temperature. Critical body regions are affected by cold-water thermal stress. A model of the thermoregulatory system may be divided into the physical-controlled system and the dynamic controlling system. The thermal model is simulated by computer programs.

Montgomery, L. D.↗

DOE OSTI2022

Investigation of the thermal conductivity of molten LiF-NaF-KF with experiments, theory, and equilibrium molecular dynamics

Molten salts are being proposed for numerous advanced energy applications, including advanced nuclear reactors, concentrating solar power plants, thermal energy storage, and fusion reactors. Accurate knowledge of the thermophysical properties of molten salts directly impact the performance of these energy systems and are essential for design and safety analyses. Thermal conductivity data for fluoride molten salts and mixtures are especially lacking. In this work, experimental measurements of thermal conductivity using the steady-state variable gap technique were performed on eutectic LiF-NaF-KF from 834 to 1195 K. The experiment accounts for radiative, convective, and conductive heat losses. In addition, theoretical and molecular dynamics models are used, from 750 K up to 1300 K, to estimate the thermal conductivity for comparison with the experimental results. The results of experiments show a weak negative deviation of thermal conductivity with temperature, unlike previous experimental results in the literature. The measured thermal conductivity magnitudes agree with the theoretical and molecular dynamics predictions, aside from the data above 1100 K, where heat losses and radiative errors are the most significant, having a 16% maximum deviation from theory. These experimental results provide new thermal conductivity data for the LiF-NaF-KF system and further validation of the predictive models. The theoretical model was used to map the composition and temperature dependent thermal conductivity of LiF-NaF-KF and the mapping’s deviation from a linear additivity estimation of thermal conductivity. Additionally, this mapping showed the highest deviations from linearity for KF-LiF rich mixtures and increasing deviation with temperature. Notably, the deviation from linearity near the LiF-NaF-KF eutectic composition was around 25%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

Advanced infrared astronomy

This task supports the application of infrared heterodyne and Fourier transform spectroscopy to ultra-high resolution studies of molecular constituents of planetary astomspheres and cometary comae. High spectral and spatial resolutions are especially useful for detection and study of localized, non-thermal phenomena in low temperature and low density regions, for detection of trace constituents and for measurement of winds and dynamical phenomena such as thermal tides. Measurement and analysis of individual spectial lines permits retrieval of atmospheric molecular abundances and temperatures and thus, information on local photochemical processes. Determination of absolute line positions to better than 10 to the minus eighth power permits direct measurements of gas velocity to a few meters/sec. Observations are made from ground based heterodyne spectrometers at the Kitt Peak McMath solar telescope and from the NASA infrared Telescope Facility on Mauna Kea, Hawaii. Wind velocities at 110km altitude on Venus were extracted approximately 1 m/sec from measurements of non-thermal emission cores of 10.3 micron CO2 lines. Results indicate a subsolar to antisolar circulationwith a small zonal retrograde component.

Kostiuk, T.↗

DOE OSTI2025

Effects of Temperature Fluctuations on Surface Mobility of Atomic Steps and Oxidation Dynamics in High-Temperature Alloys

In contrast to the traditional perspective that thermal fluctuations are insignificant in surface dynamics, here we report their influence on surface reaction dynamics. Using real-time low-energy electron microscopy imaging of NiAl(100) under both vacuum and O 2 atmospheres, we demonstrate that transient temperature variations substantially alter the direction of atom diffusion between the surface and bulk, leading to markedly different oxidation outcomes. During heating, substantial outward diffusion of atoms from the bulk to the surface results in step growth. Conversely, cooling induces considerable inward diffusion of adatoms, producing a distinct oxide morphology. In both scenarios, initially formed oxide islands impede local atomic step mobility, thereby increasing step length due to mass transfer between the surface and bulk, with atomic steps acting as adatom sinks during heating and sources during cooling. Furthermore, we show that this pinning effect on atomic step mobility can be mitigated by applying persistent temperature fluctuations. As a result, understanding these nuances is vital for accurately predicting and dynamically manipulating the performance of active materials in various chemical processes under transient thermal conditions.

36 MATERIALS SCIENCE↗

NASA NTRS1985

An overview of the Space Station Technology/Advanced Development Program

The Advanced Technology Plan of the Fiscal Year (FY) 1986 is designed to focus on the most promising technology options applicable to the Space Station (SS), selected from the list of tasks identified by the FY 1984 Technology Program as the most critical technologies to be developed for the initial SS Initial Operating Capability. Most of the current activities are in the stages of manufacture and life tests of specific SS subsystems. Special attention is given to major technologies, which include power systems (PSs) (with emphasis on a Solar Dynamic PS concept); the thermal control system (with the focus on the 'thermal bus' concept); the environmental control and life support system; and the data management system; all are illustrated schematically. Other tasks, including dynamics, communications, extravehicular activities, mechanics, propulsion, and fluid, as well as the tasks of cost, maintainability, automation and robotics, and productivity are discussed.

Carlisle, R. F.↗

NASA NTRS2001

Thermal Performance of Biological Substance Systems in Vitro Under Static and Dynamic Conditions at the Cryogenic Test Laboratory, NASA Kennedy Space Center, USA

A unique research program, including a comprehensive study of thermal performance at cryogenic vacuum insulation systems, was performed at the NASA Kennedy Space Center. The main goal was to develop a new soft vacuum system (from 1 torr to 10 torr) that provides an intermediate level of performance (k-value below 4.8 mW/m-K). Liquid nitrogen boil-off methods were used to test conventional materials, novel materials, and certain combinations. The test articles included combinations of aluminum foil, fiberglass paper, polyester fabric, silica aerogel composite blanket, fumed silica, silica aerogel powder, and syntactic foam. A new LCI system was developed at the Cryogenics Test Laboratory. This system performs exceptionally well at soft vacuum levels and nearly as good as an MLI at high vacuum levels. Apparent thermal conductivities for the LCI range from 2 mW/m-K at soft vacuum to 0.1 mW/m-K at high vacuum. Several cryostats were designed, constructed, and calibrated by the Cryogenics Test Laboratory at KSC NASA as part of this research program. The cryostat test apparatus is a liquid nitrogen boil-off calorimeter system for direct measurement of the apparent thermal conductivity at a fixed vacuum level between 5 x 10(exp -5) and 760 torr. The apparatus is also used for transient measurements of temperature profiles. The development of efficient, robust cryogenic insulation systems has been a targeted area of research for a number of years. Improved methods of characterization, testing, and evaluation of complex biological substance systems for cryosurgery and cryobiology are the focus of this paper.

Augustynowicz, S. D.↗

DOE OSTI2023

Energy dependence of light hypernuclei production in heavy-ion collisions from a coalescence and statistical-thermal model perspective

A comparison of light hypernuclei production, from Ultra-relativistic Quantum Molecular Dynamics (UrQMD)+coalescence and the thermal model, in heavy ion collisions over a wide range of beam energies and system sizes is presented. We find that both approaches provide generally similar results, with differences in specific details. Especially the ratios of hypertriton to Λ are affected by both the source radius Δr of the coalescence procedure as well as canonical effects. On the other hand, the double ratio S 3 is almost independent of canonical effects, which is in contrast to coalescence. Thus, both the beam energy dependence and centrality dependence of S 3 can be used to constrain the hypertriton source radius. To do so the currently available data are not yet sufficient. Elliptic flow is shown to be unaffected by the source size of the nuclei and an almost perfect mass scaling of the elliptic flow is observed. Furthermore, our predictions further suggest that the existence of the H-dibaryon(ΛΛ) seems ruled out by ALICE data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

Rapid Development of Instrument Thermal Models: Perspectives and Guidelines from NASA Goddard’s Instrument Design Laboratory

The Instrument Design Laboratory (IDL), part of NASA Goddard Space Flight Center’s Integrated Design Center (IDC), is a concurrent and collaborative environment which allows for rapid development of science instrumentation concepts within the span of less than two weeks. Science goals set by a Principal Investigator from government, industry or academia are translated into engineering requirements, from which a team of engineers spanning multiple disciplines use an established study process and a suite of analysis tools to work towards an instrument point design. As part of this process, a staff thermal engineer is tasked with designing a thermal control system which meets all incoming thermal requirements, while iterating real-time with other subsystems to ensure compatibility and functionality as a completed system. Thermal engineers on spaceflight projects typically have weeks or months to develop thermal models. However, the severe time limitation in this conceptual study setting makes thermal design particularly difficult, as rapid thermal modeling solely over the span of a few days is required to develop the instrument thermal design and understand the performance over its intended mission, especially if the instrument concept contains multiple thermal challenges such as dynamic environments or high heat dissipating components. In this paper, the authors provide a condensed guide for the most efficient ways to develop thermal models and conduct thermal analysis within the span of one-to-two weeks, as informed by decades of design experience and best practices in the IDL. The authors also focus on quick methods for determining worst-case thermal environments, deciding which modeling details are essential at this early phase, and quantifying the engineering resources necessary for thermal control. This paper concludes with specific thermal design tips for different instrument types across the electromagnetic spectrum.

Kan Yang↗

NASA NTRS2022

29P/Schwassmann–Wachmann 1: A Rosetta Stone for Amorphous Water Ice and CO↔CO 2 Conversion in Centaurs and Comets?

Centaur 29P/Schwassmann–Wachmann 1 (SW1) is a highly active object orbiting in the transitional "Gateway" region between the Centaur and Jupiter-family comet (JFC) regions. SW1 is unique among the Centaurs in that it experiences quasi-regular major outbursts and produces CO emission continuously; however, the source of the CO is unclear. We argue that, due to its very large size (∼32 km radius), SW1 is likely still responding, via amorphous water ice (AWI) conversion to crystalline water ice (CWI), to the "sudden" change in its external thermal environment produced by its Myrs-long dynamical migration from the Kuiper Belt to its current location at the inner edge of the Centaur region. It is this conversion process that is the source of the abundant CO and dust released from the object during its quiescent and outburst phases. If correct, these arguments have a number of important predictions testable via remote sensing and in situ spacecraft characterization, including the quick release on Myr timescales of CO from AWI conversion for any few kilometer-scale scattered disk Kuiper Belt Objects transiting into the inner system; that to date SW1 has only converted between 50% and 65% of its nuclear AWI to CWI; that volume changes on AWI conversion could have caused subsidence and cave-ins, but not significant mass wasting or crater loss; that SW1's coma should contain abundant amounts of CWI+CO 2 "dust" particles; and that when SW1 transits into the inner system within the next 10,000 yr, it will be a very different kind of JFC.

Centaur 29P/Schwassmann–Wachmann 1(SW1)↗

DOE OSTI2020

Thermal boundary conductance between high thermal conductivity boron arsenide and silicon

Thermal boundary conductance (TBC) is important for heat dissipation in light-emitting diodes (LEDs). In this study, we predicted the TBC between the high thermal conductivity boron arsenide (BAs) and silicon (Si) by nonequilibrium molecular dynamics (MD) simulations. From the thermal conductivity accumulation function with respect to phonon frequency, the dominant phonon frequencies for heat conduction in BAs are extremely different from those in Si. However, our nonequilibrium MD simulations indicated that the TBC of the BAs/Si interface was still high compared to most other interfaces, even though there was a major frequency mismatch in the thermal conductivity accumulation function between BAs and Si. The primary reason for the high TBC is the overlap of phonon density of states between BAs and Si in the frequency range of 5–8 THz. The range of predicted TBC of the BAs/Si interface was between 200 and 300 MW/m2 K in the temperature range of 300–700 K, and the values of the TBC were not sensitive to the temperature. We also found that the TBCs in Si/BAs and Si/Ge interfaces were close to each other considering the simulation uncertainty. This work indicates BAs as an excellent material for heat dissipation across the interfaces.

Wei, Zhiyong (ORCID:000000018686451X)↗

DOE OSTI2020

Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl 3 VSe 4

We explore the microscopic mechanisms of ultralow lattice thermal conductivity ($\kappa_{l}$) in Tl$_{3}$VSe$_{4}$~by combining a first-principles density-functional theory (DFT) based framework of anharmonic lattice dynamics with the Peierls-Boltzmann transport equation (PBTE) for phonons. We include contributions of the three- and four-phonon scattering processes to the phonon lifetimes as well as the temperature-dependent anharmonic renormalization of phonon energies arising from an unusually strong quartic anharmonicity in Tl$_{3}$VSe$_{4}$. In contrast to a recent report by Mukhopadhyay~\etal [\textcolor{blue}{Science 360, 1455 (2018)}] which suggested that a significant contribution to $\kappa_{l}$ arises from random walks among uncorrelated oscillators, we show that particle-like propagation of phonon excitations can successfully explain the experimentally observed ultralow $\kappa_{l}$. Our results are also supported by explicit calculations of the off-diagonal terms of the heat-current operator, which are found to be small and indicate that wave-like tunneling of heat-carrying vibrations is of minor importance. Our results (i) resolve the discrepancy between the theoretical and experimental $\kappa_{l}$, (ii) offer new insights into the minimum $\kappa_{l}$ achievable in \TlVSe, and (iii) highlight the importance of high-order anharmonicity in low-$\kappa_{l}$ systems. The methodology demonstrated here may be used to resolve the discrepancies between the experimentally measured and the theoretically calculated $\kappa_{l}$ in skutterides and perovskites, as well as to understand the glasslike $\kappa_{l}$ in complex crystals with strong anharmonicity, leading towards the goal of rational design of new materials.

36 MATERIALS SCIENCE↗