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At least 1,567 records · Page 87

Updates on the Predictive Materials Modeling Software Tools

Updates on NASA‘s efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. The PMM effort is part of the Entry Systems Modeling (ESM) project under NASA’s Game Changing Development (GCD) program. To reduce the need for extensive testing and accelerate the design cycle process, ESM is developing simulation and modeling tools that enable the characterization of the properties of thermal protection materials and their response to extremely hot plasma. The Porous Microstructure Analysis (PuMA) software has been developed to compute effective material properties and perform material response simulations on digitized microstructures of porous media. PuMA is able to import three-dimensional digital images obtained from X-ray microtomography or to generate artificial microstructures that mimic real materials. PuMA also provides a module for interactive 3D visualizations. Version 3, which was recently released as open-source, includes modules to compute simple morphological properties such as porosity, volume fractions, pore diameter, and specific surface area. Additional capabilities include the determination of effective thermal and electrical conductivity (both radiative and solid conduction - including the ability to simulate local anisotropy for the latter); effective diffusivity and tortuosity from the continuum to the rarefied regime; techniques to determine the local material orientation, as well as mechanical properties (elasticity coefficients), and permeability. Computed properties are then used to inform a macro-scale material response model, such as those implemented in the Porous material Analysis Toolbox based on OpenFOAM (PATO) software developed within ESM. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale, assuming Local Thermal Equilibrium. Recent efforts include the development of a mechanical erosion model as well as a unified model allowing an intrinsic coupling between fluid and material. Comparison to flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI] and Mars 2020 MEDLI2) is critical in order to validate these computational tools. Examples of ablative material response using the code will be presented, including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrated the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains through the use of massively parallel computations.

material modeling↗

Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids

Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as nonequilibrium states. A quantitative analysis of inelastic scattering in terms of phonon excitations requires identifying the role of multiphonon processes. Here, we develop an efficient first-principles methodology for calculating the all-phonon quantum mechanical structure factor of solids. We demonstrate our method by obtaining excellent agreement between measurements and calculations of the diffuse scattering patterns of black phosphorus, showing that multiphonon processes play a substantial role. The present approach constitutes a step towards the interpretation of static and time-resolved electron, x-ray, and neutron inelastic scattering data.

36 MATERIALS SCIENCE↗

Titanium honeycomb panel testing

The paper describes the procedures of thermal mechanical tests carried out at the NASA Dryden Flight Research Facility on two tianium honeycomb wing panels bonded using liquid interface diffusion (LID) technique, and presents the results of these tests. The 58.4 cm square panels consisted of two 0.152-cm-thick Ti 6-2-4-2 face sheets LID-bonded to a 1.9-cm-thick honeycomb core, with bearing plates fastened to the perimeter of the upper and the lower panel surfaces. The panels were instrumented with sensors for measuring surface temperature, strain, and deflections to 315 C and 482 C. Thermal stress levels representative of those encountered during aerodynamic heating were produced by heating the upper panel surface and restraining all four edges. After more than 100 thermal cycles from room temperature to 315 C and 50 cycles from room temperature to 482 C, no significant structural degradation was detected in the panels.

Richards, W. L.↗

Ar-40/Ar-39 age of the Shergotty achondrite and implications for its post-shock thermal history

Ar-40/Ar-39 measurements are used to determine the age of the Shergotty achondrite and the chronology of the shock event responsible for the complete conversion of its plagioclase to maskelynite is discussed. Apparent ages are found to vary between 240 and 640 million years for the whole rock sample, with a plateau age of 254 million years for a maskelynite separate. The Rb-Sr age of 165 million years determined by Nyquist at al (1978) suggests that the maskelynite as well as the whole rock was incompletely degassed. Argon diffusion characteristics indicate a post-shock cooling time greater than 1000 years and a burial depth greater than 300 m for a thermal model of a cooling ejecta blanket of variable thickness. It is concluded that the shock event which degassed the argon and reset the Rb-Sr systematics occurred between 165 and 250 million years ago when the parent body experienced a collision in the asteroid belt.

Bogard, D. D.↗

CO 2 Uptake and Stability Enhancement in Vinyltrimethoxysilane‐Treated SBA‐15 Solid Amine‐Based Sorbents

Abstract Silica‐supported amine absorbents, including materials produced by tethering aminosilanes or infusion of poly(ethyleneimine), represent a promising class of materials for CO 2 capture applications, including direct air and point source capture. Various silica surface treatments and functionalization strategies are explored to enhance stability and CO 2 uptake in amine‐based solid sorbent systems. Here, the synthesis and characterization of novel vinyltrimethoxysilane‐treated Santa Barbara Amorphous‐15 (SBA‐15) supports and the corresponding enhancement in CO 2 uptake compared to various SBA‐15‐based control supports are presented. The relationship between CO 2 diffusion and amine efficiency in these systems is explored using a previously reported kinetic model. The synthesized materials are characterized with CO 2 and H 2 O isotherms, diffuse reflectance infrared Fourier transform spectroscopy, 1 H T 1 – T 2 relaxation correlation NMR, and rapid thermal cycling experiments. The novel support materials are shown to enable high amine efficiencies, approaching a fourfold improvement over standard SBA‐15‐supported amines, while simultaneously exhibiting excellent stability when cycled rapidly under humid conditions. As the poly(ethyleneimine) loadings are held constant across the various samples, enhancements in CO 2 uptake are attributed to differences in the way the poly(ethyleneimine) interacts with the support surface.

Vallace, Anthony↗

Superconducting films of MgB 2 via ion beam mixing of Mg/B multilayers

The growth of smooth superconducting MgB 2 films in a non-epitaxial regime is challenging. Here, we study the formation of superconducting MgB 2 films by solid-phase reactive inter-diffusion of sputter-deposited Mg/B multilayers, employing ion beam mixing to disperse the multilayers prior to thermal annealing. The multilayers are intermixed by room-temperature bombardment with 500 keV Xe ions to doses up to 4 × 10 16 cm –2 , followed by thermal annealing to form MgB 2 . Results show that such an intermixing step leads to a dramatic reduction in surface roughness of superconducting films. However, lattice defects produced by ion bombardment reduce the critical superconducting transition temperature, an effect which scales monotonically with ion dose. The critical temperature can be recovered by an additional defect annealing step at $700\ ^{\circ}{\rm C}$.

36 MATERIALS SCIENCE↗

2022 Report - SRNL Aging and Lifetimes program tritium aging studies on structural alloys

This report documents work performed in fiscal year 2022 at SRNL in support of the Aging and Lifetimes program. This work is an enduring collaboration between SRNL and SNL to study tritium embrittlement of structural metals used in Gas Transfer System reservoirs. The measured data inform component lifetime assessments and predictions. Test coupons are thermally pre-charged with tritium and allowed to age at cryogenic temperatures to freeze out tritium diffusion and minimize off-gassing while allowing for decay helium levels to build. Coupons are removed and tested at planned intervals to measure how mechanical properties degrade as helium levels increase. This report summarizes test results from coupons which are in various stages of aging as they were tritium pre-charged in previous years, as well as documenting one new charging run.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A chemical kinetics theory for interpreting the non-monotonic temperature dependence of enzymatic reactions

Abstract. One notable observation of enzymatic chemical reactions is that, for a given abundance of enzymes and substrates, temperature increases cause reaction rates to first increase consistent with the Arrhenius relationship, then plateau, and finally fall off quickly to zero at high temperatures. While many mathematical functions have been used to describe this pattern, we here propose a chemical kinetics theory which successfully replicates this observation and provides insights into the processes responsible for these dynamics. The chemical kinetics theory combines the law of mass action, von Smoluchowski's diffusion-limited chemical reaction theory, and Eyring's transition state theory. This new theory reveals that the thermally reversible enzyme denaturation ensured by the ceaseless thermal motion of molecules and ions in an enzyme solution explains the plateau and subsequent decrease in chemical reaction rates with increasing temperature. The temperature-dependent affinity parameter (K) that relates enzymes and substrates through their binding also affects the shape of the emergent temperature response. We demonstrate that with an increase in substrate availability, K shifts the optimal temperature, where reaction rates plateau, towards higher values. Further, we show that the chemical kinetics theory accurately represents 12 sets of published enzyme assay data and includes the popular mechanistic model by Ratkowsky et al. (2005) as a special case. Given its good performance and solid theoretical underpinning, we believe this new theory will facilitate the construction of more mechanistic-based environmental biogeochemical models.

Tang, Jinyun↗

Assessment of high temperature metallizations for I(2)L and CMOS technologies

High temperature barrier metallizations were assessed and tested for I(2)L and CMOS applications. Life tests were accelerated to 375 C in view of the -55 C to +300 C temperature range established for engine-located electronics without fuel cooling. The gold-refractory metallizations evaluated were Au-TiW-PtSi, Au-TiW/TiO2/TiW-PtSi and Au-TiW(N)-PtSi. These metallization systems were thermally annealed to at least 375 C for up to 250 hours. The critical requirement for stable diffusion barrier is the TiW grain size. Small grain (250A-500A) films were observed to be stable up to 375 C. Deposition to TiW diffusion barrier in the presence of oxygen and nitrogen also results in an effective diffusion barrier. Auger electron spectroscopy profiles of the PtSi indicates some penetration by the TiW. In the case of PtSi/TiW interface, the redistribution of oxygen further passivates the system by forming a TiO2 layer at the interface.

Christou, A.↗

On the theory of cosmic-ray-mediated shocks with variable compression ratio

Cosmic-ray-mediated shocks may accelerate enough cosmic rays to high enough energies that they escape the shock, carrying an appreciable amount of energy before being convected to downstream infinity. Under such conditions, it is noted, the overall compression ratio cannot be determined from the conservation equations as in conventional hydrodynamic treatments, and the standard equations for shock acceleration admit arbitrarily high compression ratios. A procedure is outlined for obtaining the structure of high Mach number, cosmic-ray-mediated shocks, including their overall compresion ratio, around a low Mach number viscous subshock. Analytic solutions are obtained by quardrature for an energy-dependent diffusion coefficient in the limit of extreme sensitivity to energy, which, unlike previous solutions, include the finite thermal pressure of the preshock gas.

Eichler, D.↗

Effect of low-energy hydrogen ion implantation on dendritic web silicon solar cells

The effect of a low-energy (0.4 keV), short-time (2-min), heavy-dose (10 to the 18th/sq cm) hydrogen ion implant on dendritic web silicon solar cells and material was investigated. Such an implant was observed to improve the cell open-circuit voltage and short-circuit current appreciably for a number of cells. In spite of the low implant energy, measurements of internal quantum efficiency indicate that it is the base of the cell, rather than the emitter, which benefits from the hydrogen implant. This is supported by the observation that the measured minority-carrier diffusion length in the base did not change when the emitter was removed. In some cases, a threefold increase of the base diffusion length was observed after implantation. The effects of the hydrogen implantation were not changed by a thermal stress test at 250 C for 111 h in nitrogen. It is speculated that hydrogen enters the bulk by traveling along dislocations, as proposed recently for edge-defined film-fed growth silicon ribbon.

Rohatgi, A.↗

Effects Of Aging On Embrittlement By Hydrogen

Report discusses study of grain-boundary fracture of hydrogen-charged nickel under conditions in which hydrogen is immobile. Thermally-charged nickel specimens aged at several temperatures for various periods of time to allow hydrogen to diffuse. Specimens then quenched and tested in liquid nitrogen (at temperature of 77 K) so distribution of hydrogen produced by aging maintained.

Lassila, D. H.↗

Accretion disk boundary layers in cataclysmic variables. 1: Optically thick boundary layers

We develop numerical models of accretions disks in cataclysmic variables (CVs), including and emphasizing the boundary layer region where the accretion disk meets the accreting white dwarf. We confine ourselves to solutions where the boundary layer region is vertically optically thick, and find that these solutions share several common features. The angular and radial velocities of the accreting material drop rapidly in a dynamical boundary layer, which has a radial width approximately 1%-3% of the white dwarf radius. The energy dissipated in this region diffuses through the inner part of the disk and is radiated from the disk surface in a thermal boundary layer, which has a radial width comparable to the disk thickness, approximately 5%-15% of the white dwarf radius. We examine the dependence of the boundary layer structure on the mass accretion rate, the white dwarf mass and rotation rate, and the viscosity parameter alpha. We delineate the boundary between optically thick and optically thin boundary layer solutions as a function of these parameters and suggest that by means of a careful comparison with observations it may be possible to estimate alpha in CVs. We derive an expression for the total boundary layer luminosities as a function of the parameters and show that it agrees well with the luminosites of our numerical solutions. Finally, we calcuate simple blackbody continuum spectra of the boundary layer and disk emission for our solutions and compare these to soft X-ray, EUV, and He II emission-line observations of CVs. We show that, through such comparisons, it may be possible to determine the rotation rates of the accreting stars in CVs, and perhaps also the white dwarf masses and the accretion rates. The spectra are quite insensitive to alpha, so the uncertainty in this parameter does not affect such comparisons.

Popham, Robert↗

Interplanetary and Interstellar Dust Particles: Reentry Heating and Capture in Aerogel

Studies of interplanetary and interstellar dust can provide significant information on the evolution of the solar system or stars, respectively. However, for reliable analysis it is crucial to know how the particles have been modified during reentry (in the case of interplanetary dust particles, or [DP's) and impact into the capture medium. In the case of stratospheric capture, particles will be heated by atmospheric drag. Subsequent capture of the particles will result in heating, ablation, accretion of the capture medium and possible fragmentation. Modeling of these processes is a useful way of assessing their effects on the interpretation of the compositional data for these particles. Previous work on reentry heating has shown that heat diffusion alone cannot adequately account for temperature gradients observed in IDP's. In fact, for any reasonable thermal parameters, calculations show the particles to be nearly isothermal. Here we extend those studies to include phase transitions. These preliminary results are promising and show a significant temperature gradient for a 100 micron (diameter) particle. The actual capture of the particles in silica aerogel is being modeled using a comprehensive shock hydrodynamic code (called CTH). Various options of this code were investigated to attempt to make the most appropriate choice of methods of impact, equations of state, and processes of energy transfer from capture material to particle. The initial calculations with the code used only 'reasonable' estimates for the physical parameters of silica aerogel. Through the literature searches and personal contacts with the knowledgeable scientists, the best possible mechanical and thermal data have been made available for these computations.

Szydlik, Paul P.↗

Growth of Solid Solution Single Crystals

The solidification of a solid solution semiconductor, having a wide separation between liquidus and solidus has been extensively studied in ground based, high magnetic field and Spacelab experiments. Two alloys of mercury cadmium telluride have been studied; with 80.0 mole percent of HgTe and 84.8 mole percent of HgTe respectively, the remainder being cadmium telluride. Such alloys are extremely difficult to grow by directional solidification on earth due to high solutal and thermal density differences that give rise to fluid flow and consequent loss of interface shape and composition. Diffusion controlled growth is therefore impossible to achieve in conventional directional solidification. The ground based experiments consisted of growing crystals in several different configurations of heat pipe furnaces, NASA's Advanced Automated Directional Solidification Furnace (AADSF), and a similar furnace incorporated in a superconducting magnet capable of operating at up to 5T. The first microgravity experiment took place during the flight of STS-62 in March 1994, with the AADSF installed on the second United States Microgravity Payload (USMP-2). The alloy was solidified at 3/4 inch per day over a 9 day period, and for the first time a detailed evaluation was performed correlating composition variations to measured residual acceleration. The second flight experiment took place in the fourth United States Microgravity Payload Mission (USMP-4) in November 1997. Due to contamination of the furnace system, analysis shows that the conditions prevailing during the experiment were quite different from the requirements requested prior to the mission. The results indicate that the sample did accomplish the desired objectives.

Lehoczky, Sandor L.↗

Magnetic Flux Compression Experiments Using Plasma Armatures

Magnetic flux compression reaction chambers offer considerable promise for controlling the plasma flow associated with various micronuclear/chemical pulse propulsion and power schemes, primarily because they avoid thermalization with wall structures and permit multicycle operation modes. The major physical effects of concern are the diffusion of magnetic flux into the rapidly expanding plasma cloud and the development of Rayleigh-Taylor instabilities at the plasma surface, both of which can severely degrade reactor efficiency and lead to plasma-wall impact. A physical parameter of critical importance to these underlying magnetohydrodynamic (MHD) processes is the magnetic Reynolds number (R(sub m), the value of which depends upon the product of plasma electrical conductivity and velocity. Efficient flux compression requires R(sub m) less than 1, and a thorough understanding of MHD phenomena at high magnetic Reynolds numbers is essential to the reliable design and operation of practical reactors. As a means of improving this understanding, a simplified laboratory experiment has been constructed in which the plasma jet ejected from an ablative pulse plasma gun is used to investigate plasma armature interaction with magnetic fields. As a prelude to intensive study, exploratory experiments were carried out to quantify the magnetic Reynolds number characteristics of the plasma jet source. Jet velocity was deduced from time-of-flight measurements using optical probes, and electrical conductivity was measured using an inductive probing technique. Using air at 27-inHg vacuum, measured velocities approached 4.5 km/s and measured conductivities were in the range of 30 to 40 kS/m.

Turner, M. W.↗