SEARCH · Engineering Papers
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
The thermal resistance of a spin-polarized hydrodynamic Dirac plasma in graphene is considered. Here, a mechanism for the coupling of heat and spin flows is discussed, demonstrating that spin diffusion and spin thermocurrent modify viscous dissipation, leading to a significant enhancement of thermal resistance. Practical calculations are then presented for graphene devices in the Corbino geometry.
Temperature checks for fever are extensively used for preliminary COVID screenings but are ineffective during the incubation stage of infection when a person is asymptotic. Researchers at the European Centre for Disease Prevention and Control concluded that approximately 75% of passengers infected with COVID-19 and traveling from affected Chinese cities would not be detected by early screening. Core body temperature is normally kept within a narrow range and has the smallest relative standard deviation of all vital signs. Heat in the body is prioritized around internal organs at the expense of the periphery by controlling blood flow. In fact, blood flow to the skin may vary by a factor of 100 depending on thermal conditions. This adaptation causes rapid temperature fluctuations in different skin regions from changes in cardiac output, metabolism, and likely cytokine diffusion during inflammation that would not be seen in average core body temperature. Current IR and thermal scanners used for temperature checks are not necessarily reflective of core body temperatures and require cautious interpretation as they frequently result in false positive and false negative diagnosis. Hand held thermometers measure average skin temperatures and can get readings that differ from core body temperature by as much as 7°. Rather than focusing on a core body temperature threshold assessment we believe that variability of temperature patterns using a novel wearable transdermal microneedle sensor will be more sensitive to infections in the incubation stage and propose to develop a wearable transdermal temperature sensor using established Sandia microneedle technology for pre-symptomatic COVID screening that can additionally be used to monitor disease progression at later stages.
Temperature checks for fever are extensively used for preliminary COVID screenings but are ineffective during the incubation stage of infection when a person is asymptotic. Researchers at the European Centre for Disease Prevention and Control concluded that approximately 75% of passengers infected with COVID-19 and traveling from affected Chinese cities would not be detected by early screening. Core body temperature is normally kept within a narrow range and has the smallest relative standard deviation of all vital signs. Heat in the body is prioritized around internal organs at the expense of the periphery by controlling blood flow. In fact, blood flow to the skin may vary by a factor of 100 depending on thermal conditions. This adaptation causes rapid temperature fluctuations in different skin regions from changes in cardiac output, metabolism, and likely cytokine diffusion during inflammation that would not be seen in average core body temperature. Current IR and thermal scanners used for temperature checks are not necessarily reflective of core body temperatures and require cautious interpretation as they frequently result in false positive and false negative diagnosis. Hand held thermometers measure average skin temperatures and can get readings that differ from core body temperature by as much as 7°. Rather than focusing on a core body temperature threshold assessment we believe that variability of temperature patterns using a novel wearable transdermal microneedle sensor will be more sensitive to infections in the incubation stage and propose to develop a wearable transdermal temperature sensor using established Sandia microneedle technology for pre symptomatic COVID screening that can additionally be used to monitor disease progression at later stages.
Normal mode decomposition of atomic vibrations has been used to provide microscopic understanding of thermal transport in amorphous solids for decades. In normal mode methods, it is naturally assumed that atoms vibrate around their equilibrium positions, and that individual normal modes are the fundamental vibrational excitations transporting heat. With the abundance of predictions from normal mode methods and experimental measurements now available, we carefully analyze these calculations in amorphous silicon, a model amorphous solid. We find a number of discrepancies, suggesting that treating individual normal modes as fundamental heat carriers may not be accurate in amorphous solids. Furthermore, our classical and ab initio molecular dynamics simulations of amorphous silicon demonstrate a large degree of atomic diffusion, especially at high temperatures, leading to the conclusion that thermal transport in amorphous solids could be better described starting from the perspectives of liquid physics rather than from crystalline solids.
Scandium (Sc) is a promising microalloying element that enhances the strength and thermal stability of aluminum (Al) alloys. However, these benefits are not fully realized in aluminum-copper (Al-Cu) systems, and corrosion resistance often declines due to the complex phase evolution and diffusion behavior of Cu and Sc. Here, to clarify this, solute diffusion behavior and Cu-Sc interaction during heat treatment (HT) were investigated using in situ synchrotron-based transmission x-ray microscopy (TXM), wide-angle x-ray scattering (WAXS), and x-ray absorption near-edge structure (XANES) spectroscopy. The results, supported by electron microscopy, reveal strong Cu-Sc bonding that significantly impedes solute diffusion, leading to inhomogeneous solute distribution and non-uniform precipitation. Moreover, the Al-Cu-Sc eutectic phase exhibits high thermal stability, resisting dissolution even near the matrix liquidus. These findings quantitatively elucidate the sluggish diffusion kinetics of Cu and Sc, which can help redesign HT schedules to improve both mechanical properties and corrosion resistance in Sc-microalloyed Al-Cu alloys.
The Schottky barrier height can be greatly affected by the metal diffusion, reaction, and covalent bonding formation at the contact. Exploring novel methods and revealing the fundamental mechanisms for contact engineering are of vital importance for microelectronic devices. Here, in this study, the annealing induced interfacial reactions at Cu-ReSe 2 contact are dynamically revealed from the atomic scale. Accompanied by the diffusion of Se to Cu, ReSe 2 is gradually decomposed to a thin Re interlayer through a “chain-by-chain” manner. Theoretical calculations show that the Cu atoms can facilitate the chemical bond breaking of ReSe 2 , significantly lowering the Se diffusion energy barrier toward Cu. The formed Re/ReSe 2 heterostructure presents a metal-like band structure, which underscores the critical role of Cu in altering the interfacial chemistry and promoting carrier transport across the interface. Our results can provide vital insights into the contact properties of ReSe 2 and provide a possible method for fabricating high-performance ReSe 2 -based devices.
Combustion synthesis is used to prepare thin UO 2 films on aluminum alloy substrates. This simple preparation method involves electrospraying uranyl nitrate + acetylacetone + 2-methoxyethanol solution on the substrate, followed by a short annealing at 350 or 550 °C. The irradiation of films with a 40 Ar 2+ ion beam (energy of 1.7 MeV and fluences of 7.7 × 10 16 and 1.3 × 10 17 ions/cm 2 ) is conducted to investigate irradiation-induced restructuring processes. High-resolution transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) investigations show that the annealing temperature significantly influences the crystallinity and stability of materials during irradiation. A small amount of Mg in the alloy substrate diffuses into the amorphous Al 2 O 3 interfacial layer between the film and the substrate. Local thermal spikes from the incoming ions facilitate the irradiation-induced mixing of immiscible Al 2 O 3 and UO 2 for the materials prepared at 350 °C. This mass diffusion produces relatively large cavities at the interface. Selective diffusion of a more significant amount of Mg for the materials prepared at 550 °C suppresses the mixing of the Al 2 O 3 interlayer with the film but forms Mg y U 1–y O 2±x solid solutions during irradiation. Local thermal heating triggers the precipitation of a discontinuous crystalline MgO layer close to the film surface. As a result, the enhanced and selective diffusion of Mg into the film makes the materials prepared at 550 °C more robust and mechanically stable than those prepared at 350 °C.
We consider weakly ionized plasma where an elastic scattering of electrons on neutrals changes the individual acts and the rate of electron-electron collisions significantly. In this case, the kinetics of electron thermalization is very different from that in fully ionized plasma. Here, the colliding electrons do not move freely. They, instead, diffuse because of fast scattering on neutrals. We demonstrate how a proper account of this diffusion enables one to estimate the characteristic time of electron thermalization. We also present a rigorous derivation of the kinetic equation for electrons by using Bogolyubov’s method based on Liouville equations for multi-particle distribution functions.
Interactions between well-mixed fine powders of As 2 O 3 , P 2 O 5 , MoO 3 , WO 3 and Nb 2 O 5 at different stoichiometry in quartz ampoules under vacuum at ~1000 °C in the presence of metallic molybdenum (or niobium), over several weeks, led to shiny dichroic crystalline materials being formed in cooler parts of the reaction vessel. An addition of small quantities of metals-Mo or Nb-was made with the aim of partially reducing their highly oxidized Mo(VI), W(VI) or Nb(V) species to corresponding Mo(V), W(V) and Nb(IV) centers, in order to form mixed valence solids. Sublimed crystals of four new compounds were investigated using a variety of techniques, with prime emphasis on the X-ray analysis, followed by spectroscopy (diffusion reflectance, IR, Raman and EPR), second harmonic generation (SHG), thermal analysis under N 2 and air atmosphere, and single crystals electrical conductivity studies. The results evidenced the formation of new complex solids of previously unknown compositions and structures. Three out of four compounds crystallized in non-centrosymmetric space groups and represent layered 2D polymeric puckered structures that being stacked on each other form 3D lattices. All new solids exhibit strong second-harmonic-generation (SHG effect; based on YAG 1064 nm tests with detection of 532 nm photons), and a rare photosalient effect when crystals physically move in the laser beam. Single crystals’ electrical conductivity of the four new synthesized compounds was measured, and the results showed their semiconductor behavior. Values of band gaps of these new solids were determined using diffusion reflectance spectroscopy in the visible region. Aspects of new solids’ practical usefulness are discussed.
Crystallization of amorphous materials by thermal annealing has been investigated for numerous applications in the fields of nanotechnology, such as thin-film transistors and thermoelectric devices. The phase transition and shape evolution of amorphous germanium (Ge) and Ag@Ge core–shell nanoparticles with average diameters of 10 and 12 nm, respectively, were investigated by high-energy electron beam irradiation and in situ heating within a transmission electron microscope. The transition of a single Ge amorphous nanoparticle to the crystalline diamond cubic structure at the atomic scale was clearly demonstrated. Depending on the heating temperature, a hollow Ge structure can be maintained or transformed into a solid Ge nanocrystal through a diffusive process during the amorphous to crystalline phase transition. Selected area diffraction patterns were obtained to confirm the crystallization process. In addition, the thermal stability of Ag@Ge core–shell nanoparticles with an average core of 7.4 and a 2.1 nm Ge shell was studied by applying the same beam conditions and temperatures. The results show that at a moderate temperature (e.g., 385 °C), the amorphous Ge shell can completely crystallize while maintaining the well-defined core–shell structure, while at a high temperature (e.g., 545 °C), the high thermal energy enables a freely diffusive process of both Ag and Ge atoms on the carbon support film and leads to transformation into a phase segregated Ag–Ge Janus nanoparticle with a clear interface between the Ag and Ge domains. In conclusion, this study provides a protocol as well as insight into the thermal stability and strain relief mechanism of complex nanostructures at the single nanoparticle level with atomic resolution.
Enhancement of thermal stability in Al-Ni alloys through microalloying with slow-diffusing elements, specifically Zr, has been previously reported which is attributed to Zr segregation at the Al/Al 3 Ni interface. In this study, we explore the influence of microalloying Al-Ni alloys with Zr, Ti, V, and Fe on microstructural evolution, hardness, and electrical and thermal conductivity across a range of heat-treatment temperatures from 300 to 450 °C. The distribution of microalloying elements and precipitates after heat treatment is characterized using atom probe tomography (APT). Our investigation confirms Zr segregation to the Al/Al 3 Ni interface, while similar interfacial segregation is absent with the addition of Ti, V, and Fe. Additionally, our analysis of the Al 3 Ni microfiber morphology reveals that their coarsening and spheroidization rates are similar with and without interfacial segregation; thus, retaining the fiber reinforcement through interfacial segregation of slow diffusing elements may not be an effective strategy. Precipitation of L1 2 nanoparticles was found to be the dominant mechanism affecting enhanced hardness and electrical conductivity in Al-Ni-Zr alloys, attributed to precipitation strengthening and solute depletion, respectively. Similar precipitation was not observed for additions of Ti, V, and Fe following heat treatment. We provide a thermodynamic explanation for this limitation. Furthermore, the findings of this study suggest that an effective approach for designing Al-Ni alloys should involve prioritizing microalloying elements to maximize L1 2 precipitation and minimize solute content in the FCC-Al matrix post heat treatment, rather than focusing on Al/Al3Ni interfacial segregation.
Thermal transport of uniformly laser-irradiated spheres of various materials is investigated computationally. One-dimensional simulations of low- to mid-Z materials (Be, Al, and Cu) are performed to evaluate the impact of nonlocal electron transport on experimental observables under laser intensities of relevance to direct-drive inertial confinement fusion. Here we compare thermal transport models of different levels of fidelity: flux-limited Spitzer–Harm diffusion, the Schurtz–Nicolai–Busquet (SNB) reduced-order nonlocal model, and a Fokker–Planck description. Spitzer–Harm diffusion with different flux-limiter factors are compared with different implementations of the SNB model in the HYDRA radiation hydrodynamics code. Under the conditions of interest, the peak heat flux in the thermal front with the SNB model shows good agreement with Fokker–Planck calculations, with the largest errors below 10% at 10 15 W/cm 2 laser intensity. From HYDRA-SNB simulations, two experimentally relevant effects are observed from nonlocal heat transport when compared to flux-limited Spitzer–Harm modeling: coronal temperatures are cooler due to reduced heat fluxes in the expanding plasma and (for mid-Z materials) x-ray emissions are enhanced due to preheating in the dense plasma.
Concentrating solar power plant designers are interested in supercritical CO 2 (sCO 2 ) for the power block to achieve > 50% electrical efficiency at > 700 °C. The goal of this project was to develop a long-term (> 100 kh) lifetime model for sCO 2 compatibility using 10–15 kh laboratory exposures. Three Ni-based alloys (625, 282 and 740H) and an advanced austenitic stainless steel were evaluated here in long-term exposures at 700–800 °C using 500-h cycles in laboratory air, 0.1 MPa industrial grade (IG) CO 2 and 30 MPa supercritical IG CO 2 and using 10-h cycles in 0.1 MPa IG CO 2 and O 2 . Mass change data and quantification of the oxide scale thickness and depth of internal attack after 1000–10,000 h exposures at 750 °C indicate that these materials are compatible with the sCO 2 environments with modeling used to predict long-term behavior. Comparison of the 0.1 and 30 MPa 500-h cycle results did not show a significant effect of pressure on the reaction, and no significant internal carburization was observed under these conditions, even for the stainless steel, suggesting that chromia scales may be better C diffusion barriers than expected. For the Ni-based alloys, thermal cycling to simulate the solar duty cycle did not result in scale spallation after 15 kh in 10-h cycles or 4 kh in 1-h cycles at 750 °C. However, the stainless steel specimens formed an Fe-rich oxide after ~ 1500-h cumulative exposure time in both 1- and 10-h cycles.
Cubic boron arsenide (BAs) is promising for microelectronics thermal management because of its high thermal conductivity. Recently, its potential as an optoelectronic material is also being explored. However, it remains challenging to measure its photocarrier transport properties because of small sizes of available high-quality crystals. Here, we use scanning ultrafast electron microscopy (SUEM) to directly visualize the diffusion of photocarriers in BAs single crystals. Surprisingly, we observed ambipolar diffusion at low optical fluence with persistent hot carrier dynamics for above 200 ps, which can likely be attributed to the large frequency gap between acoustic and optical phonons, the same feature that is responsible for the high thermal conductivity. At higher optical fluence, we observed spontaneous electron-hole separation. Our results show BAs is an attractive optoelectronic material combining high thermal conductivity and excellent photocarrier transport properties. Finally, our study also demonstrates the capability of SUEM to probe photocarrier transport in emerging materials.
Membranes are an attractive alternative to current thermal separations due to their scalability and energy efficiency in desalinating water. Unfortunately, many of the conventional membrane materials available today are unable to differentiate between ionic solutes, especially alkali cations, compromising their use in ion–ion separations. Inspired by the ion-specific interactions exhibited by biological ion channels, recent research efforts have focused on synthesizing and characterizing new polymeric materials that incorporate ligands into polymer networks to bias solubility and/or diffusivity of one cationic species over another. Despite these efforts, little is known about the influence of incorporating ligands into polymer membranes on solubility and diffusivity of the complexing species. In this study, we first build a qualitative model of salt partitioning, diffusivity, and permeability in generic cation-complexing ligand-functionalized polymer membranes. Next, to validate our model and hypotheses, we perform atomistic molecular dynamics simulations of a 12-crown-4-functionalized membrane in the presence of alkali halide salts at low concentration. Generally, cation complexation enhances cation solubility but decreases diffusivity. Interestingly, the reduction in diffusivity is predicted to be larger than the enhancement in solubility for materials which operate by the mechanisms proposed in our physical picture, ultimately resulting in a reduction in the permeability of the selectively complexing ion.
Thermally activated annealing in semiconductors faces inherent limitations, such as dopant diffusion. Here, a nonthermal pathway is demonstrated for a complete structural restoration in predamaged germanium via ionization-induced recovery. By combining experiments and modeling, this study reveals that the energy transfer of only 2.4 keV nm −1 from incident ions to target electrons can effectively annihilate pre-existing defects and restore the original crystalline structure at room temperature. Moreover, it is revealed that the irradiation-induced crystalline-to-amorphous (c/a) transformation in Ge is reversible, a phenomenon previously considered unattainable without additional thermal energy imposed during irradiation. For partially damaged Ge, the overall damage fraction decreases exponentially with increasing fluence. Surprisingly, the recovery process in preamorphized Ge starts with defect recovery outside the amorphous layer and a shrinkage of the amorphous thickness. After this initial stage, the remaining damage decreases slowly with increasing fluence, but full restoration of the pristine state is not achieved. These differences in recovery are interpreted in the framework of structural differences in the initial defective layers that affect recovery kinetics. This study provides new insights on reversing the c/a transformation in Ge using highly-ionizing irradiation and has broad implications across materials science, radiation damage mitigation, and fabrication of Ge-based devices.
Room-temperature ionic liquids (RTILs) hold promise for applications in electric double layer capacitors (EDLCs), owing to a much wider potential window, lower vapor pressure, and better thermal and chemical stabilities compared to conventional aqueous and organic electrolytes. However, because the low diffusivity of ions in neat RTILs negates the EDLCs’ advantage of high power density, the ionic liquids are often used in mixture with organic solvents. In this study, we measured the diffusivity of cations and anions in RTIL, 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) ([BMIM + ][TFSI – ]), mixed with 10 organic solvents, by using the pulsed-field gradient NMR method. The ion diffusivity was found to follow that of neat solvents and in most studied solvents showed an excellent agreement with the predicted values reported in the recent molecular dynamics (MD) study [Thompson, M. W.; J. Phys. Chem. B 2019, 123, 1340-1347]. In two solvents consisting of long-chain molecules, however, the MD simulations predictions slightly underestimated the ionic diffusivities. The degree of ion dissociation was also estimated for each solvent by comparing the ionic conductivity with the molar conductivity derived from the diffusion measurements. The degree of ion dissociation and the hydrodynamic radius of ions suggest that the ions are coordinated by ~1 solvent molecule. Finally, the scarcity of solvent–ion interactions explains the fact that the diffusivity of ions in the mixture significantly depends on the viscosity of the solvent.
Thermal Energy Storage (TES) is a key component for solar thermal applications to bridge the gap between the demand for thermal energy and the supply of solar energy, whose availability depends on the time of day and season. Thus, cost-effective packed-bed thermal containers filled with a solid storage medium have been proposed for high-temperature sensible heat storage as materials are abundant and relatively cheap. Thus, it is necessary to investigate their performance and temperature profiles during the charge-discharge cycle. Several models are available for this purpose. Typically, the more detailed a model, the greater the computational effort required to solve it, and hence a time-efficient model is needed to prevent excessively long computation times for long-term analysis. At the more basic level, the common Hughes E-NTU model and the less realistic simplified Infinite-NTU model are very important for their less time and computational effort. In this paper, the appropriateness of employing the Infinite-NTU model was evaluated to investigate the performance of a typical and scalable rock-bed TES as a case study. The results presented provide a methodology to quickly test the validity of the model and predict the temperature profile for the case under study. Accordingly, such simple charge-discharge cycle thermal performance predictions are important to plan, design, and rapidly deploy a reliable and economical solar thermal system for the supply of valuable heat to high-temperature demanding applications of power generation and industrial processes as part of a rapid shift towards non-polluting renewable energy. Keywords: Solar Thermal, TES, Packed-bed, NTU model, Temperature profile