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At least 325 records · Page 18

Collision integrals and high temperature transport properties for N-N, O-O, and N-O

Accurate collision integrals are reported for the interactions of N(4 S 0) + N(4 S 0), O(3 P), and N(4 S 0) + O(3 P). These are computed from a semiclassical formulation of the scattering using the best available representations of all of the potential energy curves needed to describe the collisions. Experimental RKR curves and other accurate measured data are used where available; the results of accurate ab initio electronic structure calculations are used to determine the remaining potential curves. The high-lying states are found to give the largest contributions to the collision cross sections. The nine collision integrals, needed to determine transport properties to second order, are tabulated for translational temperatures in the range 250 K to 100,000 K. These results are intended to reduce the uncertainty in future predictions of the transport properties of nonequilibrium air, particularly at high temperatures. The viscosity, thermal conductivity, diffusion coefficient, and thermal diffusion factor for a gas composed of nitrogen and oxygen atoms in thermal equilibrium are calculated. It was found that the second order contribution to the transport properties is small. Graphs of these transport properties for various mixture ratios are presented for temperatures in the range 5000 to 15000 K.

Levin, E.↗

Probing phonon focusing, thermomechanical behavior, and moiré patterns in van der Waals architectures using surface acoustic waves

Surface acoustic waves (SAWs) propagate along solid-air, solid-liquid, and solid-solid interfaces. Their characteristics depend on the elastic properties of the solid. Combining transmission electron microscopy (TEM) experiments with molecular dynamics (MD) simulations, we probe atomic environments around intrinsic defects that generate SAWs in vertically stacked two-dimensional (2D) bilayers of MoS 2 . Our joint experimental-simulation study provides insights into SAW-induced structural and dynamical changes and thermomechanical responses of MoS 2 bilayers. Using MD simulations, we compute mechanical properties from the SAW velocity and thermal conductivity from thermal diffusion of SAWs. The results for Young’s modulus and thermal conductivity of an MoS 2 monolayer are in good agreement with experiments. The presence of defects, such as nanopores which generate SAWs, reduces the thermal conductivity of 2D-MoS 2 by an order of magnitude. We also observe dramatic changes in moiré patterns, phonon focusing, and cuspidal structures on 2D-MoS 2 layers.

36 MATERIALS SCIENCE↗

Steady-state thermal-solutal convection and diffusion in a simulated float zone

Models describing the steady-state thermal diffusion in a pure system, the thermal-solutal diffusion in a binary system, and heat and momentum transverse in a pure system are presented. The geometry of the model is described by a 2D Cartesian coordinate system that is applicable for crystal sheets. The melting, solidifying, and melt/gas interfacial shapes as well as the thermal, flow, and solutal profiles are analytically evaluated as functions of the heat and ambient temperature profiles and material properties. The solution procedure involves a coupled asymptotic/numerical approach which reduces the coupled set of partial differential equations to ordinary type. The results should be applicable in situations where melt flows are not intense enough to change the thermal field in pure systems, or where the physical properties of the melt are such that the convective field is decoupled from the thermal field, the latter being established primarily by diffusion.

Young, G. W.↗

Nanoparticle-enhanced absorptivity of copper during laser powder bed fusion

We report laser powder bed fusion (LPBF) of pure copper for thermal and electrical applications is hampered by its low near-infrared absorptivity and high thermal diffusivity. These material properties make it very difficult to localize the thermal energy needed to produce high density 3D printed parts. Modification of metal powders via nanoparticle additives is a promising approach to increasing absorptivity, but the effect of nanoparticles on absorptivity and melting behavior during LPBF is not well understood. In this study, we developed an in situ calorimetry system to measure effective absorptivity during LPBF on copper substrates. We decorated copper substrates using three nanoparticle systems (CuS, TiB 2 , multilayer graphene flakes) and demonstrated an enhanced absorptivity of the decorated substrates relative to pure copper. Graphene nanoflakes resulted in the highest improved absorption relative to pure copper from 0.09 to 0.48, due to their stability at high laser scanning powers. A thermomechanical model with convective heat transfer provided confidence in the measurements by reproducing the experimental melt pool traces. Full 3D cylindrical prints demonstrated an improvement in relative density of the copper-graphene powder prints (in the range of 0.930–0.992), relative to that of as-purchased copper powder prints (in the range of 0.854–0.972). This work provides a fundamental study of nanoparticle-enabled LPBF of highly reflective metals and demonstrates a viable route for expanding the library of reliably printable metals.

36 MATERIALS SCIENCE↗

Photoinduced structural recovery dynamics of rare-earth nickelate thin films

Photoinduced structural dynamics of rare-earth nickelate thin films, NdNiO 3 and SmNiO 3 , grown on (001) oriented SrTiO 3 were studied using time-resolved x-ray diffraction. The evolution of the (002) Bragg peak was tracked following laser excitation. The recovery pathways were found to be strongly dependent on laser fluence for NdNiO 3 and distinct for the two rare-earth nickelates. The recovery of the (002) peak shifts was modeled using a one-dimensional thermal diffusion model which showed that the recovery processes are non-thermal at high fluences. For NdNiO 3 , the timescales for the recovery of the (002) peak shift were found to be closely related to Ni magnetism recovery, potentially indicating magneto-structural coupling. Moreover, the evolution of integrated intensity and full-width-half-maximum points towards the presence of a structural phase separation during recovery. In conclusion, our studies highlight structural recovery pathways in nickelates by comparing the distinct responses of the photoinduced metal-insulator transition in NdNiO 3 and SmNiO 3 .

36 MATERIALS SCIENCE↗

Thermophysical properties of plasma sprayed coatings

Thermophysical properties of plasma sprayed materials were determined for the following plasma sprayed materials: CaO - stabilized ZrO2, Y2O3 - stabilized ZerO2, Al2O3, HfO2 Mo, nichrome, NiAl, Mo-ZrO2, and MoAl2O3 mixtures. In all cases the thermal conductivity of the as-sprayed materials was found to be considerably lower than that of the bulk material. The flash-laser thermal diffusivity technique was used both for diffusivity determination of single-layer materials and to determine the thermal contact resistance at the interface of two-layer specimens.

Wilkes, K. E.↗

Thermal response of large area high temperature superconducting YBaCuO infrared bolometer

Thermal analysis of large area high temperature superconducting infrared detector operating in the equilibrium mode (bolometer) was performed. An expression for the temperature coefficient beta=1/R(dR/dT) in terms of the thermal conductance and the thermal time constant of the detector were derived. A superconducting transition edge bolometer is a thermistor consisting of a thin film superconducting YBaCuO evaporated into a suitable thermally isolated substrate. The operating temperature of the bolometer is maintained close to the midpoint of the superconducting transition region where the resistance R has a maximum dynamic range. A detector with a strip configuration was analyzed and an expression for the temperature rise (delta T) above the ambient due to a uniform illumination with a source of power density P(sub i) was calculated. An expression for the thermal responsivity of the detector was derived using the thermal diffusion analysis with appropriate boundary conditions. It was found that the thermal responsibility depends upon the spatial modulation frequency and the angular frequency of the incoming radiation. The problem of the thermal cross talk between different detector elements was addressed. In the case of monolithic HTS detector array with a row of square elements of dimensions 2a and CCD or CID readout electronics the thermal spread function was derived for different spacing between elements. This analysis can be critical for future design and applications of large area focal plane arrays as broad band optical detectors made of granular thin films HTS YBaCuO.

Khalil, Ali E.↗

Influence of Irradiation-induced Microstructural Defects on Thermal Transport in Single Crystal Thorium Dioxide

Microstructural defects formed as a result of fission fragment damage are known to drastically alter thermal conductivity, a fuel property that governs the efficiency of a nuclear reactor. A fundamental understanding of radiation-induced effects on thermal transport is critical for the development of advanced fuels. Ion-irradiation has widely been used to simulate the effects of neutron-irradiation by seeding atomic-to-nanoscale defects of controllable size and density. In this work, we investigate the influence of microstructural defects, induced by ion-irradiation, on the thermal properties of single crystal thorium dioxide samples grown using the hydrothermal technique. The samples were irradiated using 2 MeV protons at room temperature. A laser-based modulated thermoreflectance technique was used to measure the thermal diffusivity and conductivity within the damaged ThO2 region. The experimentally measured thermal properties were compared with Boltzmann Transport Equation predictions, to determine the impact of various defect types on the thermal properties of ThO2.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Convective instability when the temperature gradient and rotation vector are oblique to gravity. II - Real fluids with effects of diffusion

The linear stability analysis of Hathaway et al. (1979) is repeated for Boussinesq fluids with viscous and thermal diffusion. The fluid is confined between plane parallel boundaries and the rotation vector is oblique to gravity; this tilted rotation vector introduces a preference for roll-like disturbances whose axes are oriented north-south. The presence of a latitudinal temperature gradient produces a thermal wind shear which favors axisymmetric convective rolls if the gradient exceeds some critical value. The axisymmetric rolls are similar in many respects to the cloud bands on Jupiter provided they extend to a depth of about 15,000 km.

Hathaway, D. H.↗

Anisotropic Thermal Transport in Quasi-2D Ruddlesden-Popper Hybrid Perovskite Superlattices

Two-dimensional hybrid metal-halide perovskites (2D-MHPs) have emerged as important solution-processed semiconductors with favorable optical and electronic properties for diverse applications in photovoltaics, optoelectronics, and spintronics. The quasi-2D layered structures, featuring large acoustic impedance mismatches between the organic and inorganic sublattices, are expected to result in distinct and anisotropic thermal transport properties along the cross-plane and in-plane directions. Here, we introduce transducer-free vibrational-pump-visible-probe (VPVP) approaches that enable accurate quantification of anisotropic thermal transport properties in various archetypical single-crystalline 2D-MHPs. Specifically, using VPVP spectroscopy and VPVP microscopy, we measure the anisotropic thermal diffusivities of 2D-MHPs with systematically varied Pb-I octahedral layer thicknesses, as well as organic spacer types and lengths, revealing how these structural parameters alter the cross-plane and in-plane thermal transport properties in distinct ways. While diffuse interface scattering plays an important role in dictating cross-plane thermal transport, in-plane thermal transport is primarily determined by phonon transport within interconnected inorganic layers. Density functional theory incorporating four-phonon scatterings provides further insight into the low thermal conductivity and modest thermal conduction anisotropy in 2D-MHPs. Our work demonstrates a new all-optical and noncontact method, which requires minimal sample preparation and allows direct visualization of cross-plane and in-plane thermal transport, potentially compatible with sample environments. The demonstrated VPVP approaches can advance understanding of thermal transport in 2D-MHPs as well as wide-ranging hybrid and polymeric semiconductors beyond 2D-MHPs.

36 MATERIALS SCIENCE↗

Thermal properties measurement of TRISO particle coatings from room temperature to 900 °C using laser-based thermoreflectance methods

The thermal properties of tristructural isotropic (TRISO) particle coatings have been measured using laser-based thermoreflectance methods from room temperature to 900 °C. At room temperature the pyrocarbon coatings have comparable thermal conductivities below 10 W·m -1 ·K -1 , whereas the SiC coating has a thermal conductivity around 90 W·m -1 ·K -1 . The thermal diffusivities of all coatings display significant reduction with increasing temperature. Finally, the thermal conductivity of SiC decreases by more than 25% above 800 °C and the thermal conductivities of pyrocarbons increase moderately with the temperature, displaying similar changes to that of amorphous graphite at elevated temperatures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Jet Noise Suppression

The objectives of this chapter are to review and summarize the jet noise suppression technology, to provide a physical and theoretical model to explain the measured jet noise suppression characteristics of different concepts, and to provide a set of guidelines for evolving jet noise suppression designs. The underlying principle for all jet noise suppression devices is to enhance rapid mixing (i.e., diffusion) of the jet plume by geometric and aerothermodynamic means. In the case of supersonic jets, the shock-cell broadband noise reduction is effectively accomplished by the elimination or mitigation of the shock-cell structure. So far, the diffusion concepts have predominantly concentrated on jet momentum and energy (kinetic and thermal) diffusion, in that order, and have yielded better noise reduction than the simple conical nozzles. A critical technology issue that needs resolution is the effect of flight on the noise suppression potential of mechanical suppressor nozzles. A more thorough investigation of this mechanism is necessary for the successful development and design of an acceptable noise suppression device for future high-speed civil transports.

Gliebe, P. R.↗

Enhancing thermal conductivity of UO 2 with the addition of UB 2 via conventional sintering techniques

We report that uranium dioxide has been the primary fuel type used in light water reactors for more than 40 years and proven to be reliable and robust. However, the Fukushima-Daiichi nuclear accident has motivated new work evaluating fuels with characteristics promoting accident tolerance, including enhanced thermal conductivity. Recently, additives have been investigated to increase thermal conductivity, but research has been largely focused on non-fissile additions. This study investigated the use of fissile additives to not only increase the thermal conductivity but also increase the uranium loading. Uranium diboride was chosen as the additive for this study due to its promising corrosion behavior as well as its significantly higher thermal conductivity at 573 K (25 Wm -1 K -1 ) when compared to UO 2 (7 Wm -1 K -1 ). Uranium diboride powder was fabricated via the arc melting technique and a ball milling process prior to mixing with UO 2 in a 90/10 wt% UO 2 /UB 2 ratio. Green bodies were made using a uniaxial die and subjected to a traditional pressureless sintering technique at 2073 K in argon. Sintered samples were analyzed via laser flash analysis for thermal diffusivity and differential scanning calorimetry for specific heat capacity in order to calculate thermal conductivity. The samples displayed an increase of 36-55% in thermal conductivity between 323 K and 1273 K when compared to the benchmark samples (pure UO 2 ) as reported in open literature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Solute segregation and precipitation across damage rates in dual-ion–irradiated T91 steel

We report that dual-ion irradiations using 5.0 MeV defocused Fe 2+ ions and co-injected energy degraded 2.00 to 2.85 MeV He 2+ ions were conducted on a Fe9CrMo ferritic-martensitic steel T91 to 17 dpa at a damage rate range of 5 × 10 -5 dpa/s to 3 × 10 -3 dpa/s at 445°C, followed by characterization of the microstructure using conventional and scanning transmission electron microscopy. Radiation induced Ni/Si clusters and radiation induced segregation were quantified using energy dispersive X-ray spectroscopy at each condition and were compared with the same material irradiated in the BOR-60 reactor and in the as-received condition. No significant Cr segregation was found at lath boundaries after dual-ion irradiation, while Ni and Si enrichments both decreased with increasing damage rate leading to a sharp decrease in the density of Ni/Si clusters with damage rate. Increased point defect recombination at higher ion damage rates likely reduced the Ni/Si cluster density compared with BOR-60. Although the overall vacancy concentration and diffusion are enhanced by the irradiation damage rate, the lack of time for thermal diffusion and ballistic displacements of solutes are significant limiting factors for Ni/Si cluster formation. This work demonstrates the effect of irradiation damage rate on elemental segregation and clustering when using ion irradiation to simulate reactor irradiation.

36 MATERIALS SCIENCE↗

Thermal conductivity of earth materials at high temperatures.

The total thermal conductivity (lattice plus radiative) of several important earth materials is measured in the temperature range from 500 to 1900 K. A new technique is used in which a CO2 laser generates a low-frequency temperature wave at one face of a small disk-shaped sample, and an infrared detector views the opposite face to detect the phase of the emerging radiation. Phase data at several frequencies yield the simultaneous determination of the thermal diffusivity and the mean extinction coefficient of the material. The lattice, radiative, and total thermal conductivities are then calculated. Results for single-crystal and polycrystalline forsterite-rich olivines and an enstatite indicate that, even in relatively pure large-grained material, the radiative conductivity does not increase rapidly with temperature. The predicted maximum total thermal conductivity at a depth of 400 km in an olivine mantle is 0.020 cal/cm/sec/deg C, which is less than twice the surface value.

Schatz, J. F.↗

Update on NNL TSL Evaluations and Validation [Slides]

12 new/revised TSL evaluations were contributed to ENDF/B-VIII.1. The thermal diffusion length $L$ is an integral property of a single material’s absorption and scattering cross sections (both differential and integral). No other neutron reactions or materials are involved. The MC21-calculated $L$ for water is consistent with the spread of experimental data and is sufficiently sensitive to different H-H 2 O TSL physics models to use the method as a TSL integral performance benchmark. Modern high-quality diffusion experiments at elevated $T$ would allow direct low-cost physics benchmarking of water TSLs when public elevated-$T$ critical benchmarks are limited. NNL is working with LLNL and RPI to develop experimental PNDA capability. An ICSBEP Fundamental Physics benchmark of the Nassar and Murphy PNDA experiment is being developed to provide an example of how to evaluate these type of benchmarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Linear viscous stability analysis of the stratified Bickley jet

The stability of the stably stratified Bickley jet to small disturbances in a viscous, heat conducting fluid is explored by numerical integration of the governing differential equation. Curves of neutral stability are presented in the alpha-R plane and the parametric dependence of these curves upon Richardson number and Prandtl number is examined. The results show a curious bimodal behavior of the curve of neutral stability for small Richardson numbers. In addition, closed neutral curves are found for Richardson numbers in excess of the critical value for the inviscid flow. The unstable regions in the interior of these curves increase with decreasing Prandtl number. Energy balances are computed which show the relative magnitude of the Reynolds stress production, buoyancy dissipation, and viscous dissipation terms across the flow. As the thermal diffusivity becomes large compared with the kinematic viscosity, the buoyancy term is suppressed and the thermal stratification becomes irrelevant.

Gage, K. S.↗