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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Equations of state, phase relations, and oxygen fugacity of the Ru-RuO 2 buffer at high pressures and temperatures

Experimental studies and measurements of inclusions in diamonds show that ferric iron components are increasingly stabilized with depth in the mantle. To determine the thermodynamic stability of such components, their concentration needs to be measured at known oxygen fugacities. The metal-oxide pair Ru and RuO 2 are ideal as an internal oxygen fugacity buffer in high-pressure experiments. Both phases remain solid to high temperatures and react minimally with silicates, only exchanging oxygen. To calculate oxygen fugacities at high pressure and temperature, however, requires information on the phase relations and equation of state properties of the solid phases. We have made in situ synchrotron X-ray diffraction measurements in a multi-anvil press on mixtures of Ru and RuO 2 to 19.4 GPa and 1473 K with which we have determined phase relations of the RuO 2 phases and derived thermal equations of state (EoS) parameters for both Ru and RuO 2 . Rutile-structured RuO 2 was found to undergo two phase transformations, first at ~7 GPa to an orthorhombic structure and then above 12 GPa to a cubic structure. The phase boundary of the cubic phase was constrained for the first time at high pressure and temperature. We have derived a continuous Gibbs free energy expression for the tetragonal and orthorhombic phases of RuO 2 by fitting the second-order phase transition boundary and P-V-T data for both phases, using a model based on Landau theory. The transition between the orthorhombic and cubic phases was then used along with EoS terms derived for both phases to determine a Gibbs free energy expression for the cubic phase. We have used these data to calculate the oxygen fugacity of the Ru + O 2 = RuO 2 equilibrium, which we have parameterized as a single polynomial across the stability fields of all three phases of RuO 2 . The expression is log 10 f O 2 (Ru – RuO 2 ) = (7.782 – 0.00996P + 0.001932P 2 – 3.76 × 10 –5 P 3 ) + (–13 763 + 592P – 3.955P 2 )/T + (–1.05 × 10 6 – 4622P)/T 2 , which should be valid from room pressure up to 25 GPa and 773–2500 K, with an estimated uncertainty of 0.2 log units. Our calculated fO 2 is shown to be up to 1 log unit lower than estimates that use previous expressions or ignore EoS terms.

Armstrong, Katherine↗
NASA NTRS1988

Dynamical effects on the core-mantle boundary from depth-dependent thermodynamical properties of the lower mantle

A common assumption in modeling dynamical processes in the lower mantle is that both the thermal expansivity and thermal conductivity are reasonably constant. Recent work from seismic equation of state leads to substantially higher values for the thermal conductivity and much lower thermal expansivity values in the deep mantle. The dynamical consequences of incorporating depth-dependent thermodynamic properties on the thermal-mechanical state of the lower mantle are examined with the spherical-shell mean-field equations. It is found that the thermal structure of the seismically resolved anomalous zone at the base of the mantle is strongly influenced by these variable properties and, in particular, that the convective distortion of the core-mantle boundary (CMB) is reduced with the decreasing thermal expansivity. Such a reduction of the dynamically induced topography from pure thermal convection would suggest that some other dynamical mechanism must be operating at the CMB.

Zhang, Shuxia↗
DOE OSTI2025

Light-Promoted C(sp 3 )–C(sp 3 ) Reductive Elimination from Dialkyl NiII Complexes

Ni-catalyzed cross-coupling is a powerful strategy to forge C(sp 3 )–C(sp 3 ) bonds. Typically, to do so requires overcoming a challenging C–C bond-forming reductive elimination, often enabled by the intermediacy of highly oxidized Ni species or outer-sphere processes. While direct C(sp 3 )–C(sp 3 ) reductive elimination from the Ni II base oxidation state is normally thermally inaccessible, light-activation provides an avenue to affect such transformations. Here, we investigate the mechanism of light-induced C(sp 3 )–C(sp 3 ) bond formation from dialkyl bipyridine Ni II complexes through a variety of organometallic, spectroscopic, and computational studies. Wavelength-dependent quantum yields, ligand electronics–reactivity relationships, excited-state lifetimes, computed barriers, and product distributions from crossover studies support a photolysis/radical rebound mechanism. Furthermore, this reactivity paradigm complements existing strategies in the literature to promote reductive elimination from Ni II , such as the use of destabilizing, sterically hindered ligands and reduction of electron density at Ni through the binding of electron-deficient olefins. Hence, we envision that light-induced reductive elimination may enable the development of challenging C(sp 3 )–C(sp 3 ) couplings.

Alkyls↗
DOE OSTI2025

Parametric and Robustness Studies of Qudit Mediated Quantum State Transfer and Entanglement Creation

The large number of available states participating in quantum state evolution in a system of qudits translates into better thermal resilience, for quantum state transfer (QST) and distributed entangled states, than a system of 2-level qubits. In this report we study the dependence of fidelities of the above processes on various system parameters. Sensitivity to modes of dissipation and errors is also studied. An alternative and potentially more efficient scheme to create Bell states is used.

Chao, Yu-Chiu [Fermilab] (ORCID:000900039584159X)↗
DOE OSTI2023

Melting, reentrant ordering and peak effect for Wigner crystals with quenched and thermal disorder

Abstract We consider simulations of Wigner crystals in solid state systems interacting with random quenched disorder in the presence of thermal fluctuations. When quenched disorder is absent, there is a well defined melting temperature determined by the proliferation of topological defects, while for zero temperature, there is a critical quenched disorder strength above which topological defects proliferate. When both thermal and quenched disorder are present, these effects compete, and the thermal fluctuations can reduce the effectiveness of the quenched disorder, leading to a reentrant ordered phase in agreement with the predictions of Nelson (1983 Phys. Rev. B 27 2902–14). There are two competing theories for the low temperature behavior, and our simulations show that both capture aspects of the actual response. The critical disorder strength separating ordered from disordered states remains finite as the temperature goes to zero, as predicted by Cha and Fertig (1995 Phys. Rev. Lett. 74 4867–70), instead of dropping to zero as predicted by Nelson. At the same time, the critical disorder strength decreases with decreasing temperature, as predicted by Nelson, instead of remaining constant, as predicted by Cha and Fertig. The onset of the reentrant phase can be deduced based on changes in the transport response, where the reentrant ordering appears as an increase in the mobility or the occurrence of a depinning transition. We also find that when the system is in the ordered state and thermally melts, there is an increase in the effective damping or pinning. This produces a drop in the electron mobility that is similar to the peak effect phenomenon found in superconducting vortices, where thermal effects soften the lattice or break down its elasticity, allowing the particles to better adjust their positions to take full advantage of the quenched disorder.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Modification of magnetic ground state in Tb 2 Ni 0.90 Si 2.94 by thermal annealing

In this work, we have investigated the thermal annealing effect on the physical properties of an AlB 2 -type ternary intermetallic compound, Tb 2 Ni 0.90 Si 2.94 , that undergoes spin freezing behaviour coexisting with spatially limited antiferromagnetic phase below 9.9 K in as-cast form. Thermal annealing effect is found to result in considerable changes in the magnetic ground state properties of the system. Though only one magnetic transition around 9.9 K is observed for as-cast compound, the annealed sample exhibits two distinct magnetic transitions; one around T N ~ 13.5 K and another around T f ~ 4 K. The magnetization measurements and zero field neutron diffraction study reveal that the high temperature transition is antiferromagnetic type, though of limited correlation length, while the low temperature transition corresponds to spin freezing behaviour. The ac susceptibility and heat capacity studies also confirm the existence of frustrated cluster glass state at lower temperature than the antiferromagnetic ordering temperature. Additionally, ac susceptibility data exhibits signature of an additional peak in the even lower temperature region (at 2.2 K for zero frequency) that tends to shift in opposite direction with frequency in contrast to that observed for conventional glassy transitions. The change in intrinsic local structural disorder of Ni and Si ions associated with annealing has been argued to be responsible for the different magnetic behaviour in as-cast and annealed samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hall-coefficient diagnostics of the surface state in pressurized SmB 6

In this study, we report results of the high-pressure Hall coefficient (R H ) measurements in the putative topological Kondo insulator SmB 6 up to 37 GPa. Below 10 GPa, our data reveal that R H (T) exhibits a prominent peak upon cooling below 20 K. Remarkably, the temperature at which surface conduction dominates coincides with the temperature of the peak in R H (T). The temperature dependent resistance and Hall coefficient can be well fitted by a two-channel model with contributions from the metallic surface and the thermally activated bulk states. When the bulk of SmB 6 becomes metallic and magnetic at ~10 GPa, both the R H (T) peak and the resistance plateau disappear simultaneously. Here, our results indicate that the R H (T) peak is a fingerprint to diagnose the presence of a metallic surface state in SmB 6 . The high-pressure magnetic state of SmB 6 is robust to 180 GPa, and no evidence of superconductivity is observed in the metallic phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2011

Thermal and Pressure Characterization of a Wind Tunnel Force Balance Using the Single Vector System

Wind tunnel research at NASA Langley Research Center s 31-inch Mach 10 hypersonic facility utilized a 5-component force balance, which provided a pressurized flow-thru capability to the test article. The goal of the research was to determine the interaction effects between the free-stream flow and the exit flow from the reaction control system on the Mars Science Laboratory aeroshell during planetary entry. In the wind tunnel, the balance was exposed to aerodynamic forces and moments, steady-state and transient thermal gradients, and various internal balance cavity pressures. Historically, these effects on force measurement accuracy have not been fully characterized due to limitations in the calibration apparatus. A statistically designed experiment was developed to adequately characterize the behavior of the balance over the expected wind tunnel operating ranges (forces/moments, temperatures, and pressures). The experimental design was based on a Taylor-series expansion in the seven factors for the mathematical models. Model inversion was required to calculate the aerodynamic forces and moments as a function of the strain-gage readings. Details regarding transducer on-board compensation techniques, experimental design development, mathematical modeling, and wind tunnel data reduction are included in this paper.

Lynn, Keith C.↗
NASA NTRS1978

Thermal evolutions of the terrestrial planets

Theoretical models are formulated for the thermal evolution of the moon, Mercury, Mars, Venus, and hypothetical minor planets, with consideration of conduction, solid-state convection, and differentiation. A variety of geological, geochemical and geophysical data is used to constrain both the present-day temperatures and the thermal histories of the planetary interiors. The data imply that the planets were heated during or shortly after formation and that all the terrestrial planets started differentiating early in their history. The size of the planet is the primary factor in determining its present-day thermal state. A planetary body with radius less than 1000 km is unlikely to reach melting, given heat source concentrations similar to terrestrial values and in the absence of intensive early heating.

Toksoz, M. N.↗
NASA NTRS1992

Reusable thermal protection system development: A prospective

The state of the art in passive reusable thermal protection system materials is described. Development of the Space Shuttle Orbiter, which was the first reusable vehicle, is discussed. The thermal protection materials and given concepts and some of the shuttle development and manufacturing problems are described. Evolution of a family of grid and flexible ceramic external insulation materials from the initial shuttle concept in the early 1970's to the present time is described. The important properties and their evolution are documented. Application of these materials to vehicles currently being developed and plans for research to meet the space programs future needs are summarized.

Goldstein, Howard↗
NASA NTRS2009

Proposed Schematics and Modeling Results for a Lunar Portable Life Support System

The Constellation Space Suit Element (CSSE) is an integrated assembly made up of primarily a Pressure Garment System (PGS) and a Portable Life Support System (PLSS). The PLSS is further composed of an oxygen (O2) subsystem, a ventilation subsystem, and a thermal subsystem. This paper baselines a detailed schematic of the CSSE PLSS to provide a basis for current and future CSSE PLSS development efforts. Both context diagrams and detailed schematics describe the hardware components and overall functions for all three of the PLSS subsystems. Additionally, PLSS functions are presented for multiple operational scenarios as follows: 1) Nominal Extravehicular Activity (EVA) Mode; 2) Umbilical Modes; a) No Recharge, b) With Recharge; 3) Decompression Sickness (DCS) Treatment Mode; 4) Buddy Mode; 5) Secondary O2 Modes; a) Helmet Purge; b) Suit Purge; c) Operational; and 5) PLSS Removed Umbilical Mode. A performance modeling effort is being performed to provide a preliminary confirmation of this layout and the current state of the thermal hydraulic modeling efforts being conducted for the PLSS is presented. The goal of these efforts is to provide realistic simulations of the PLSS under various modes of operation. Modeling approaches and assumptions are discussed as well as component model descriptions. Results from the models are included that show PLSS operations at steady-state and transient conditions. Finally, conclusions and recommendations are offered that summarize results, identify PLSS design weaknesses uncovered during review of the analysis results, and propose areas for improvement to increase model fidelity and accuracy.

Conger, Bruce↗
NASA NTRS1990

The coupled orbital and thermal evolution of Triton

The coupled orbital and thermal evolution of Triton is simulated with a model of the satellite having temperature-dependent k/Q (k is the second degree Love number and Q is the tidal dissipation factor). Large changes in orbital and interior properties occur in a short time span of less than 10 to the 8th years. The peak tidal heating rate exceeds the radioactive heating rate by a factor of at least 1000. The ability of tidal heating to overwhelm solid state convection and cause global melting is unequivocally demonstrated. Triton's initial thermal state and composition are shown to control the length of time that passes between capture from heliocentric orbit and the occurrene of swift and dramatic changes in orbital and internal properties. This time interval could have been several billion years.

Ross, Martin N.↗
NASA NTRS1999

Integrated Modeling Tools for Thermal Analysis and Applications

Integrated modeling of spacecraft systems is a rapidly evolving area in which multidisciplinary models are developed to design and analyze spacecraft configurations. These models are especially important in the early design stages where rapid trades between subsystems can substantially impact design decisions. Integrated modeling is one of the cornerstones of two of NASA's planned missions in the Origins Program -- the Next Generation Space Telescope (NGST) and the Space Interferometry Mission (SIM). Common modeling tools for control design and opto-mechanical analysis have recently emerged and are becoming increasingly widely used. A discipline that has been somewhat less integrated, but is nevertheless of critical concern for high precision optical instruments, is thermal analysis and design. A major factor contributing to this mild estrangement is that the modeling philosophies and objectives for structural and thermal systems typically do not coincide. Consequently the tools that are used in these discplines suffer a degree of incompatibility, each having developed along their own evolutionary path. Although standard thermal tools have worked relatively well in the past. integration with other disciplines requires revisiting modeling assumptions and solution methods. Over the past several years we have been developing a MATLAB based integrated modeling tool called IMOS (Integrated Modeling of Optical Systems) which integrates many aspects of structural, optical, control and dynamical analysis disciplines. Recent efforts have included developing a thermal modeling and analysis capability, which is the subject of this article. Currently, the IMOS thermal suite contains steady state and transient heat equation solvers, and the ability to set up the linear conduction network from an IMOS finite element model. The IMOS code generates linear conduction elements associated with plates and beams/rods of the thermal network directly from the finite element structural model. Conductances for temperature varying materials are accommodated. This capability both streamlines the process of developing the thermal model from the finite element model, and also makes the structural and thermal models compatible in the sense that each structural node is associated with a thermal node. This is particularly useful when the purpose of the analysis is to predict structural deformations due to thermal loads. The steady state solver uses a restricted step size Newton method, and the transient solver is an adaptive step size implicit method applicable to general differential algebraic systems. Temperature dependent conductances and capacitances are accommodated by the solvers. In addition to discussing the modeling and solution methods. applications where the thermal modeling is "in the loop" with sensitivity analysis, optimization and optical performance drawn from our experiences with the Space Interferometry Mission (SIM), and the Next Generation Space Telescope (NGST) are presented.

Milman, Mark H.↗
NASA NTRS2005

Miniature Loop Heat Pipe with Multiple Evaporators for Thermal Control of Small Spacecraft

This paper presents an advanced miniature heat transport system for thermal control of small spacecraft. The thermal system consists of a loop heat pipe (LHP) with multiple evaporators and multiple deployable radiators for heat transfer, and variable emittance coatings on the radiators for performance enhancement. Thermoelectric coolers are used to control the loop operating temperature. The thermal system combines the functions of variable conductance heat pipes, thermal switches, thermal diodes, and the state-of-the-art LHPs into a single integrated thermal system. It retains all the performance characteristics of state-of-the-art LHPs and offers additional advantages to enhance the functionality, performance, versatility, and reliability of the system. Steady state and transient analytical models have been developed, and scaling criteria have also been established. A breadboard unit has been built for functional testing in laboratory and thermal vacuum environments. Experimental results show excellent performance of the thermal system and correlate very well with theoretical predictions.

Ku, Jentung↗
NASA NTRS1966

Calorimeter accurately measures thermal radiation energy

Calorimeter accurately measures steady-state and transient, low-level thermal radiation energy. The calorimeter uses a compensating shield between the sensor and the calorimeter mount to intercept sensor heat losses and to provide a reference for determining a correction factor.

Anderson, W. W., Jr.↗
DOE OSTI2021

Ab initio anharmonic thermodynamic properties of cubic Ca Si O 3 perovskite

We present an ab initio study of the thermodynamic properties of cubic CaSiO 3 perovskite (CaPv) over the pressure and temperature range of the Earth's lower mantle. We compute the anharmonic phonon dispersions throughout the Brillouin zone by utilizing the phonon quasiparticle approach, which characterizes the intrinsic temperature dependence of phonon frequencies and, in principle, captures full anharmonicity. Such temperature-dependent phonon dispersions are used to calculate ab initio free energy in the thermodynamic limit (N → ∞) within the framework of the phonon gas model. Accurate free energy calculations enable us to investigate cubic CaPv's thermodynamic properties, e.g., thermal expansivity, Grüneisen parameter, bulk modulus, heat capacity and thermal equation of state, where anharmonic effects are demonstrated. Furthermore, the present methodology provides an important theoretical approach for exploring phase boundaries, thermodynamic, and thermoelastic properties of strongly anharmonic materials at high pressures and temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2017

Thermal Control System of the ECOsystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS)

The ECOSystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) is a thermal infrared imaging multispectral scanner science mission. ECOSTRESS is designed and built by the NASA Jet Propulsion Laboratory and will be deployed on the International Space Station (ISS). ECOSTRESS will measure the water loss from growing leaves and the evaporation from the soil by measuring the temperature of plants and will gather data on the health of the agriculture system on Earth. The ISS orbit will allow ECOSTRESS to take observations at different times during each day over the seasons to provide coverage over the contiguous United States. The ECOSTRESS Thermal Control System (TCS) consists of a combination of active and passive components to maintain the ECOSTRESS components within the allowable flight temperature (AFT) limits. The active thermal control systems include mechanical cryocoolers, heaters and a single-phase pumped fluid loop for Instrument and Payload. The focal plane detector is cooled to 65K by a pair of mechanical cryocoolers and a third mechanical cryocooler cools an intermediate cold shield to 130K. The pumped fluid loop transfers the instrument waste heat to JAXA’s Japanese Exposed Module External Facility (JEM-EF) provided external fluid loop before rejection to space from the ISS radiators. The passive TCS includes multi-layer and single layer insulations, flexible thermal links and coatings on the radiometer. This paper describes the ECOSTRESS instrument TCS architecture, instrument thermal requirements and key design drivers, the top level thermal design and analysis approach, and reports preliminary test results.

Carroll, Brian↗
DOE OSTI2025

51 V NMR evidence for interlayer-modulated charge order and a first-order low-temperature transition in CsV 3 ⁢Sb 5

Charge order in the kagome superconductor CsV 3 ⁢Sb 5 exhibits a complex three-dimensional organization and intermediate-temperature anomalies whose bulk character has remained unsettled. We use orientation-dependent 51 V NMR as a site-selective probe to determine the stacking of the charge density wave (CDW) state and its thermal evolution. Below 𝑇 CDW ≈ 94K, the field-linear splitting of the 51 V central transition together with the anisotropy of the Knight shift tensor identify an interlayer-modulated 3⁢𝑞 CDW whose local environments are consistent with a four-layer 2 × 2 × 4 stacking with mixed trihexagonal/Star-of-David distortions, in agreement with synchrotron x-ray determinations. For comparison, RbV 3 ⁢Sb 5 serves as a reference exhibiting a uniform trihexagonal 2 × 2 × 2 stacking, allowing us to isolate features unique to the 2 × 2 × 4 state in CsV 3 ⁢Sb 5 . With 𝐻 0 ∥ 𝑐, the 51 V quadrupolar satellites through the intermediate temperature scale near 𝑇 CO ≈ 65K reorganize into two well-resolved electric-field-gradient manifolds that coexist over a finite interval; their relative spectral weights interchange on cooling while the total integrated satellite intensity remains conserved and 𝜈 𝑄 within each manifold is nearly temperature independent. The coexistence without critical broadening, together with conserved intensity, provides bulk evidence consistent with a first-order charge-order transition near 𝑇 CO . Our measurements do not resolve whether this lower-temperature transition corresponds to a distinct in-plane order or a reorganization of the 3⁢𝑞 state; rather, they delimit this window and provide bulk, site-resolved constraints that connect prior reported anomalies to a thermodynamic first-order transition.

Wang, Xiaoling [California State Univ., East Bay, ↗