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NASA NTRS2020

Durability Characterization of Low Ice Adhesion and Impact Resistance Coatings

Glaze, rime and mixed icing conditions can cause significant variation in aerodynamic performance, fuel efficiency, and flight safety. For commercial aircraft, active icing mitigation strategies are utilized to enable safe flight within icing conditions according to the FAR Part 25/29 Appendix C icing envelope. For general aviation and unmanned aerial vehicles that cannot support active anti-icing technologies, avoidance is the only recourse. Passive approaches have been investigated to reduce weight and energy consumption for active systems and to expand the operational envelope for smaller aircraft. Coatings are one passive method to reduce or mitigate ice accretion on frontal surfaces of commercial aircraft with the greatest region of interest being wing leading edges. Aircraft wing leading edges represent an extreme environment. Durability must be considered for any material to be applied as a coating in this area. Currently, there are no specifications regarding coating durability of a low ice adhesion material applied on the wing leading edge. Therefore, a reasonable starting point is to use the durability specifications put forth for an aircraft external coating. Besides the tests called out in these specifications, others were included such as Taber abrasion to simulate wear and erosion. Beyond durability, performance metrics with regards to adhesion strength of accreted in-flight (i.e., impact) icing are central to determine coating usefulness. Determination of this property though is particularly challenging and only a few facilities have the capability to quantify this. An instrument at NASA Langley Research Center [Adverse Environment Rotary Test Stand Jr., (AERTS Jr.)], based on the AERTS system at The Pennsylvania State University, allows for screening numerous coatings subjected to the icing environment. To establish a benchmark for comparison with research coatings, a state-of-the-art (SOA) commercial aircraft coating was subjected to an array of salient durability and performance experiments. The same tests were conducted using a baseline epoxy (BE) resin formulation that demonstrated some initial promising results for comparison. Results from this initial screening will be discussed herein.

Miranda L Beaudry↗

NASA NTRSDate not supplied

Creep Testing of Vectran Yarn

NASA and industry are developing inflatable space structures to provide deployable habitable volumes for future exploration missions in space and on the surface of the Moon and Mars. These structures must withstand the constant pressure loading of multi-year missions. These missions therefore require excellent creep resistance in the constituent cordage and webbings that provide the primary structure of the vessel, which is typically constructed using high-strength synthetic materials such as Vectran. Real-time and accelerated creep testing of Vectran webbings has been performed at NASA Langley Research Center (LaRC), however, acceptable correlation between the results of the two approaches has not yet been achieved. Given the additional complexity of the webbing architecture, creep testing at the yarn level is being studied to reduce the number of interacting properties and focus on the core creep behavior to see if better correlation can be achieved between real-time and accelerated tests. To achieve this objective a creep test stand that is able to support simultaneous testing of five Vectran yarns had been previously designed and built. The test stand utilizes two clamp-wrap grips to mount the yarn and has a 10:1 load ratio, via a lever-arm, henceforth, known as the lever-arm test stand. Real-time creep testing (without measuring the strain of the yarn) in this fixture produces yarn ruptures in the gauge section. However, a large scatter in the times to failure was seen in the results across multiple loading conditions. For example, a test at 70% of the ultimate tensile strength (UTS) was found to have specimens that failed within a matter of hours and others that took over 6 weeks to fail. Prior test data on Vectran webbings had indicated high variability in the material strength, leading to higher than average scatter in the creep testing of webbings, which could translate to the scatter in creep behavior at the yarn level as well. However, there was still the possibility that the lever-arm test stand was causing the high scatter in data; specifically, due to potential variability in the loading of each specimen. Therefore, an additional creep test setup was designed and built to attempt to determine if the large scatter in the results was due to inherent material properties, the lever-arm test stand, or both. The newly designed creep test stand, henceforth known as the conventional test stand, utilized the more typical method for creep testing which involved hanging a weight from the yarn with no additional load amplification. The conventional test stand was designed and fabricated in-house at LaRC. High speed cameras were used to validate that the specimens in the conventional test stand failed in the gauge section. Once it was determined that the conventional test stand would provide valid failures in the gauge section, creep tests on the Vectran yarns were run to compare to the lever-arm test stand results. Preliminary results for a 70% UTS creep test have some specimens failing within a number of hours and some failing in excess of 6 weeks. These results are similar to those seen on the lever-arm test stand, pointing towards a large variability inherent in the material. The poster/presentation will focus on the design, fabrication, and validation of the conventional test stand as well as present preliminary results comparing the creep data from the conventional and lever-arm test stands

creep testing↗

DOE OSTI2022

The Role of Phonons and Oxygen Vacancies in Non-Cubic SrVO 3

Combining neutron diffraction with pair distribution function analysis, we have uncovered hidden reduced symmetry in the correlated metallic d 1 perovskite, SrVO 3 . Specifically, we show that both the local and global structures are better described using a GdFeO 3 distorted (orthorhombic) model as opposed to the ideal cubic ABO 3 perovskite type. Recent reports of imaginary phonon frequencies in the density functional theory (DFT)-calculated phonon dispersion for cubic SrVO 3 suggest a possible origin of this observed non-cubicity. Namely, the imaginary frequencies computed could indicate that the cubic crystal structure is unstable at T = 0 K. However, our DFT calculations provide compelling evidence that point defects in the form of oxygen vacancies, and not an observable symmetry breaking associated with calculated imaginary frequencies, primarily result in the observed non-cubicity of SrVO 3 . These experimental and computational results are broadly impactful because they reach into the thin-film and theoretical communities who have shown that SrVO 3 is a technologically viable transparent conducting oxide material and have used SrVO 3 to develop theoretical methods, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

Integrated control of thermally distorted large space antennas

The objective is to develop a control system design method that (1) recognizes the time dependence of the thermal distortion due to orbital motion and (2) controls variables that are directly related to far field performance for earth pointing space antennas. The first objective is accomplished by expanding the distortion into principal components that are orthogonal in space and time. The approach for the second objective is to expand the far zone electric field in a Zernike-Bessel series. The method accommodates tapered feeds and arbitrary polarizations. Simulations are performed for a geosynchronous radiometer to determine the effectiveness of the control system under variations in solar geometry, structure materials and thermal properties.

Tolson, Robert H.↗

NASA NTRS2003

Investigation of Dynamic Oxygen Adsorption in Molten Solder Jetting Technology

Surface tension forces play a critical role in fluid dynamic phenomena that are important in materials processing. The surface tension of liquid metals has been shown to be very susceptible to small amounts of adsorbed oxygen. Consequently, the kinetics of oxygen adsorption can influence the capillary breakup of liquid-metal jets targeted for use in electronics assembly applications, where low-melting-point metals (such as tin-containing solders) are utilized as an attachment material for mounting of electronic components to substrates. By interpreting values of surface tension measured at various surface ages, adsorption and diffusion rates of oxygen on the surface of the melt can be estimated. This research program investigates the adsorption kinetics of oxygen on the surface of an atomizing molten-metal jet. A novel oscillating capillary jet method has been developed for the measurement of dynamic surface tension of liquids, and in particular, metal melts which are susceptible to rapid surface degradation caused by oxygen adsorption. The experimental technique captures the evolution of jet swells and necks continuously along the jet propagation axis and is used in conjunction with an existing linear, axisymmetric, constant-property model to determine the variation of the instability growth rate, and, in turn, surface tension of the liquid as a function of surface age measured from the exit orifice. The conditions investigated so far focus on a time window of 2-4ms from the jet orifice. The surface properties of the eutectic 63%Sn-37%Pb solder alloy have been investigated in terms of their variation due to O2 adsorption from a N2 atmosphere containing controlled amounts of oxygen (from 8 ppm to 1000 ppm). The method performed well for situations where the oxygen adsorption was low in that time window. The value of surface tension for the 63Sn-37Pb solder in pure nitrogen was found to be 0.49 N/m, in good agreement with previously published work. A characteristic time of O(1ms) or less was determined for the molten-metal surface to be saturated by oxygen at 1000 ppm concentration in N2.

Megaridis, Constantine M.↗

DOE OSTI2020

Mercury Speciation During Vitrification of LAW

n this work, laboratory and engineering-scale tests were conducted that mimic the reactive environment of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) low activity waste (LAW) melter and off-gas system in order to assess the speciation of mercury at select points in the processing system. The experimental protocols, test equipment, feed materials used, and rationale for testing are detailed in the Test Plan for this work. Particular attention was paid to the amount and speciation of mercury in submerged bed scrubber (SBS) solutions, which are intended to be recycled back to the melter feed at the WTP. Results are presented from detailed mercury analysis of these solutions using Environmental Protection Agency (EPA) Method 1630 and modifications to this method for dimethyl mercury and methyl mercury as well as EPA Method 1631 and modifications to this method for total, dissolved, elemental, suspended, and ionic mercury. Testing was conducted in two separate sets of experiments: (1) One set of tests (crucible-scale furnace tests) that involved heating small batches of mercury-spiked melter feed in crucibles to determine the amount of mercury retained in the glass and the species of mercury in the exhaust gases; (2) A second set of tests (DM10 melter tests) was planned that involved creating LAW melter plenum gas compositions using the DM10 melter system, injecting mercury into the off-gas stream, and passing that stream though a reactor that simulates various plenum gas conditions. Operational issues led to the need to use one of the VSL DM100 melters in place of the planned DM10 melter for these tests. The speciation of mercury after exposure to those conditions was monitored. In both sets of tests, the exhaust gases were run through a scrubber that was intended to mimic the LAW SBS in order to determine how much of the mercury exiting the melter would be retained in the primary off-gas system fluids and in what form. After passing through the SBS, the exhaust stream was analyzed to determine particulate, ionic, elemental, and total mercury passing downstream of the SBS. In tests employing gases derived from the DM100 melter that were spiked with elemental mercury, the processing system provided gas temperatures and residence times that are representative of the WTP LAW vitrification system in order to assess the effect of those conditions on mercury speciation. The Decontamination Factor (DF) across the system in the tests with mercury-spiked DM100 melter exhaust was determined using the analytical data from EPA Method 30B (Fluegas Adsorption Mercury Speciation (FAMS TM )) exhaust samples and the amount of mercury detected in the SBS solutions. Mercury species used in melter feed crucible scale tests were divalent (chloride and iodide), monovalent (chloride and fluoride), and elemental mercury. Individual tests included only a single form of mercury in the feed. The results for total mercury mass balances in the crucible tests are also presented.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2015

Constraining the Texture and Composition of Pore-Filling Cements at Gale Crater, Mars

The Mars Science Laboratory (MSL) rover Curiosity has encountered a wide variety of sedimentary rocks deposited in fluvio-lacuestrine sequences at the base of Gale Crater. The presence of sedimentary rocks requires that initial sediments underwent diagenesis and were lithified. Lithification involves sediment compaction, cementation, and re-crystallization (or authigenic) processes. Analysis of the texture and composition of the cement can reveal the environmental conditions when the cements were deposited, enabling better understanding of early environments present within Gale Crater. The first step in lithification is sediment compaction. The Gale crater sediments do not show evidence for extensive compaction prior to cementation; the Sheepbed mudstone in Yellowknife Bay (YKB) has preserved void spaces ("hollow nodules"), indicating that sediments were cemented around the hollow prior to compaction, and conglomerates show imbrication, indicating minimal grain reorganization prior to lithification. Furthermore, assuming the maximum burial depth of these sediments is equivalent to the depth of Gale Crater, the sediments were never under more than 1 kb of pressure, and assuming a 15 C/km thermal gradient in the late Noachian, the maximum temperature of diagenesis would have been approximately 75 C. This is comparable to shallow burial diagenetic conditions on Earth. The cementation and recrystallization components of lithification are closely intertwined. Cementation describes the precipitation of minerals between grains from pore fluids, and recrystallization (or authigenesis) is when the original sedimentary mineral grains are altered into secondary minerals. The presence of authigenic smectites and magnetite in the YKB formation suggests that some recrystallization has taken place. The relatively high percentage of XRD-amorphous material (25-40%) detected by CheMin suggests that this recrystallization may be limited in scope, and therefore may not contribute significantly to the cementing material. However, relatively persistent amorphous components could exist in the Martian environment (e.g. amorphous MgSO4), so recrystallization, including loss of crystallinity, cannot yet be excluded as a method of cementation. In order to describe the rock cementation, both the rock textures and their composition must be considered. Here, we attempt to summarize the current understanding of the textural and compositional aspects of the cement across the rocks analyzed by Curiosity to this point.

Siebach, K. L.↗

NASA NTRSDate not supplied

History of Structural Stitching Development for Aerospace Applications

Layered composite structures are a commonly used, lightweight option for aerospace vehicles today. However, these structures are prone to delamination between plies as well as separation between co-cured sections such as skins and flanges. In addition, delamination can easily be induced by impact damage from events such as tool drops and hailstones. Since such delaminations are often not visible from the external surface of the structure, additional material or fasteners must be included in the design to ensure the structure will maintain the required load-carrying ability through its lifetime. However, adding extra material increases weight and reduces structural efficiency and adding fasteners and their associated holes reduces manufacturing efficiency and adds the requirement to inspect the holes since they could become crack initiation points. Alternate means to reduce delaminations could be beneficial. An alternative to these options is to build the structure with through-thickness reinforcement, such as using stitching threads, to limit delamination, increase out-of-plane strength, and provide a method to join structural elements together without fasteners. The history of through-thickness stitching as it could be applied to aerospace vehicles is described in this paper.

carbon-epoxy↗

NASA NTRSDate not supplied

Calculating Mode Mixity in Interlaminar Fracture of Composite Laminates

To accurately predict delamination under mixed-mode loading, cohesive elements must partition the energies dissipated in Mode I and Mode II correctly. The ability of cohesive models to predict mode mixity was evaluated by performing analyses of the single leg bending (SLB) test, which exhibits a variable mode mixity with crack length. Accordingly, two numerical integration methods were developed to compute the energy partitioning: (i) a local calculation of the accumulated work of tractions at each point along the crack path, and (ii) a global J-integral “snapshot” calculation along a contour around the process zone. In the case of a composite laminate with properties characterized by short fracture process zone (FPZ), the results of these two methods correlate well with each other and with a linear elastic fracture mechanics solution. However, FPZscan be long due to fiber bridging or due to the intrinsic toughness of the material. Then, the results of mode-mixity calculations obtained with various methods vary widely from each other. It is argued that the global J-integral calculation is the most accurate interpretation of the energy release rate and mode mixity for either short or long process zones. This solution will provide a more accurate characterization of resistance curves and mode mixity in experimental results, and it will also guide the development of more accurate mixed-mode cohesive laws for tougher materials characterized by strong R-curve responses, such as thermo-plastic composites.

cohesive zone analysis↗

DOE OSTI2020

Carbon dioxide and polymer compositions for permeability control and sealing

A method of treating a material to achieve at least one of reducing surface wettability of the material or reducing fluid transport through the material includes exposing the material to a composition including a solution of a polymer portion and carbon dioxide for a period of time. The polymer portion includes at least one of a polyfluoroacrylate or a copolymer of a fluoroacrylate and a comonomer. A pressure of the composition is maintained above the cloud point of the polymer portion at a concentration thereof in the carbon dioxide for the period of time.

Enick, Robert M.↗

DOE OSTI2022

Additive manufacturing method and assembly

Methods and assemblies for additive manufacturing portions of components with enhanced strength are provided. The assemblies comprise a first deposition head and an apparatus for causing one or more reinforcement fibers to extend more than two layers within previously-deposited layers of build material. The first deposition head is configured to deposit a plurality of layers of a filament comprising a reinforcement fiber and thermoplastic material. The apparatus may comprise a needle point configured to be inserted into the plurality of layers to displace the reinforcement fiber so that it extends two or more of the plurality of layers. The apparatus may additionally or alternatively comprise a second deposition head having a needle tip configured to be inserted into the plurality of layers to inject a length of a second filament comprising thermoplastic material and a reinforcement fiber so that the reinforcement fiber of the second filament extends two or more layers of the plurality of layers of the first filament.

Barr, Christian G.↗

DOE OSTI2022

Depth-resolved thermal conductivity and damage in swift heavy ion irradiated metal oxides

We investigated thermal transport in swift heavy ion (SHI) irradiated insulating single crystalline oxide materials: yttrium aluminum garnet- Y 3 Al 5 O 12 (YAG), sapphire (Al 2 O 3 ), zinc oxide (ZnO) and magnesium oxide (MgO) irradiated by 167 MeV Xe ions at 10 12 – 10 14 ions/cm 2 fluences. Depth profiling of the thermal transport on nano- and micro- meter scales was assessed by time-domain thermoreflectance (TDTR) and modulated thermoreflectance (MTR) methods, respectively. This combination allowed us to isolate the conductivities of different sub-surface damage-regions characterized by their distinct microstructure evolution regimes. Thermal conductivity degradation in SHI irradiated YAG and Al 2 O 3 is attributed to formation of ion tracks and subsequent amorphization, while in ZnO and MgO it is mostly due to point defects. Additionally, notably lower conductivity when probed by very low penetrating thermal waves is consistent with surface hillock formation. An analytical model based on Klemens-Callaway method for thermal conductivity coupled with a simplified microstructure evolution capturing saturation in defect concentration was used to obtain depth dependent damage across the ion impacted region. The studies showed that YAG has the highest damage profile resulting in the less dependence of thermal conductivity with the depth, while MgO on the contrary has the strongest dependence. The presented work sheds new light on how SHI induced defects affect thermal transport degradation and recovery of oxide ceramics as promising candidates for next generation nuclear reactor applications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

An Electrical Resistance Diagnostic for Conductivity Monitoring in Laser Powder Bed Fusion

With the growing interest in metal additive manufacturing using laser powder bed fusion (LPBF), there is a need for advanced in-situ nondestructive evaluation (NDE) methods that can dynamically monitor manufacturing process-related variations, that can be used as a feedback mechanism to further improve the manufacturing process, leading to parts with improved microstructural properties and mechanical properties. Current NDE techniques either lack sensitivity beyond build layer, are costly or time-consuming, or are not compatible for in-situ integration. In this research, we develop an electrical resistance diagnostic for in-situ monitoring of powder fused regions during laser powder bed fusion printing. The technique relies on injecting current into the build plate and detecting voltage differences from conductive variations during printing using a simple, cheap four-point electrode array directly connected to the build plate. A computational model will be utilized to determine sensitivities of the approach, and preliminary experiments will be performed during the printing process to test the overall approach.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Development of Enabling Technologies for Chemical Looping Combustion and Chemical Looping with Oxygen Uncoupling (Final Report)

This report summarizes results from the project, “Development of Enabling Technologies for Chemical Looping Combustion and Chemical Looping with Oxygen Uncoupling,” which evaluated several aspects of dual fluidized bed chemical looping combustion and chemical looping with oxygen uncoupling (CLOU). The objective was to provide tools and enabling technologies to help advance fluidized bed chemical looping technology to pilot, demonstration and commercial scale. One focus area is oxygen carriers, which are key to chemical looping combustion. The copper oxygen carrier-coal ash system was systematically evaluated through a combination of thermodynamic modeling and lab-scale experiments, taking into consideration different oxygen carrier support materials and coal types. A method of mapping “safe” and “risk” zones for different combinations was established, and recommendations for target conditions are provided. In addition, a simple solution for limiting negative influence of some coal ashes, namely adding small amounts of calcium to the system, is proposed. In addition, a novel process for recovering and recycling copper from spent oxygen carriers is proposed. A new approach for design and operation of loop seals in a CLOU system was developed, and involves distinct gas injection points and a short horizontal section to help control the fate of the fluidizing gases. For the air-to-fuel reactor loop seal, the upstream side is fluidized with air, ideally input into the side rather than into the bottom, which prevents uncoupling (reduction) of the oxygen carrier before entering the fuel reactor. Also, alternative for separating oxygen carrier particles and gas in circulating fluidized bed-based chemical looping system is proposed. A new reduced reaction scheme for conversion of coal in copper-based CLOU was developed and implemented into CPFD Software’s Barracuda VR package. The resulting model provides higher fidelity than the baseline, especially when it comes to minor reactions that are part of the overall combustion environment. For in-reactor heat extraction, it was determined in this project that the best way to do that in a dual circulating fluidized-bed system is through heat exchange low in the air reactor. The air reactor is the hotter of the two and for a fast-fluidized circulating bed, the lower, more dense section has a higher heat transfer coefficient and offers more consistent particle-wall contact since it doesn’t have the splashing behavior the top of the bed does. It was determined that just the wall surface area in the lower quarter to third of the air reactor is sufficient to control temperatures in both reactors. Finally, consideration was given to a new concept for CLC, which involves a staged fuel reactor with a different type of oxygen carrier in each stage.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2025

Diffusion behavior of lanthanide fission products in bcc Fe cladding: A first-principles study

Fuel-cladding chemical interaction poses significant challenges in nuclear reactors, where fission products generated from nuclear fuel interact with Fe-based cladding materials, potentially compromising their structural integrity. This study investigates the diffusion behavior of lanthanide fission products, Lanthanum (La), Cerium (Ce), Praseodymium (Pr), and Neodymium (Nd), within body-centered cubic (bcc) Fe cladding using the density functional theory, nudged elastic band method, and self-consistent mean field theory. Our results reveal significant vacancy binding energies, particularly with the 1st and 2nd nearest neighbors, which diminish beyond the 5th nearest neighbor, with La exhibiting the strongest binding affinity, followed by Nd, Ce, and Pr. The nudged elastic band calculations indicate significant high barriers for the dissociation of 1st nearest neighbor vacancy-solute pairs for all fission products. The tracer diffusion coefficients of these fission products were derived in an Arrhenius form, with a magnetic correction that accounts for the high-temperature paramagnetic state. The significant trapping effect of vacancies caused by a very dilute concentration of fission products reduces vacancy mobility, potentially leading to modifications in point defect supersaturation, void nucleation, and swelling under irradiation. These represent critical challenges for irradiated cladding materials. The tracer diffusion coefficients indicate that Nd diffuses the fastest, followed by La, Ce, and Pr. Furthermore, this study provides essential insights for understanding fission product transport in cladding materials and informs future design strategies to mitigate fuel-cladding chemical interaction, ultimately enhancing nuclear reactor safety and performance.

Diffusion↗

DOE OSTI2020

Tight-Binding-Based Method for Simulations of Complex Materials with Accompanying Database

The NRL-Tight-Binding (NRL-TB) method has been applied successfully to many monatomic, binary, and a few ternary systems. The method consists of a fit to Density Functional Theory (DFT) results and has transferability beyond the fitted DFT database including performing tight-binding molecular dynamics simulations. We are working on a new website with a detailed guide of how to use the method in performing the fit to DFT results (Fitting Code) and obtaining non-orthogonal TB parameters expressed in a polynomial form as environment-dependent Slater-Koster parameters (on-site terms), and neighbor distance-dependent Hamiltonian and Overlap terms. These parameters are then used in a Static Code to verify or make predictions for large systems often beyond the computational capabilities of standard DFT codes. Our starting point was a website developed at NRL some years ago which NRL no longer supports. We have now been augmenting that website with new examples of expanding the original capabilities of the method such as incorporating in the codes f-electron states. Our website (esd.cos.gmu.edu/tb) contains two separate branches: One named NRL-TB with the full documentation of the method including source codes and examples. The other branch, named ESD-dB, is a library of electronic structure calculations for all the monatomic elements (a subset of the elements also found in a recent book by the author of this proposal. See reference 22) and an approximately 700 hundred compounds in specific crystal structures. We discuss below the progress made so far in improving and expanding the capabilities of our TB method and the plans for further extensions of our approach.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Data-driven surrogates for high dimensional models using Gaussian process regression on the Grassmann manifold

This paper introduces a surrogate modeling scheme based on Grassmannian manifold learning to be used for cost-efficient predictions of high-dimensional stochastic systems. The method exploits subspace-structured features of each solution by projecting it onto a Grassmann manifold. This point-wise linear dimensionality reduction harnesses the structural information to assess the similarity between solutions at different points in the input parameter space. The method utilizes a solution clustering approach in order to identify regions of the parameter space over which solutions are sufficiently similarly such that they can be interpolated on the Grassmannian. In this clustering, the reduced-order solutions are partitioned into disjoint clusters on the Grassmann manifold using the eigen-structure of properly defined Grassmannian kernels and, the Karcher mean of each cluster is estimated. Then, the points in each cluster are projected onto the tangent space with origin at the corresponding Karcher mean using the exponential mapping. For each cluster, a Gaussian process regression model is trained that maps the input parameters of the system to the reduced solution points of the corresponding cluster projected onto the tangent space. Using this Gaussian process model, the full-field solution can be efficiently predicted at any new point in the parameter space. In certain cases, the solution clusters will span disjoint regions of the parameter space. In such cases, for each of the solution clusters we utilize a second, density-based spatial clustering to group their corresponding input parameter points in the Euclidean space. The proposed method is applied to two numerical examples. Here, the first is a nonlinear stochastic ordinary differential equation with uncertain initial conditions where the surrogate is used to predict the time history solution. The second involves modeling of plastic deformation in a model amorphous solid using the Shear Transformation Zone theory of plasticity, where the proposed surrogate is used to predict the full strain field of a material specimen under large shear strains.

42 ENGINEERING↗

DOE OSTI2022

Melting diamond in the diamond cell by laser-flash heating

The phase behavior of carbon at high pressure and the search for carbon structures denser than diamond has been explored for decades showing large discrepancies, with many fundamental questions remaining unresolved. Here we show evidence of melting above the graphite-diamond-liquid (GDL) triple point (~13 GPa, 4000 K) up to 50 GPa on samples recovered from single flash-heating events using spectroscopic and electron microscopic methods. The results show that for all pressures, diamond melts below the triple point temperature contradicting previous studies, most of which predict a positive slope of the melting curve.

36 MATERIALS SCIENCE↗