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At least 289 records · Page 16

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DOE OSTI2016

Synchrotron X-ray topographic study on nature of threading mixed dislocations in 4H–SiC crystals grown by PVT method

Synchrotron X-ray Topography is a powerful technique to study defects structures particularly dislocation configurations in single crystals. Complementing this technique with geometrical and contrast analysis can enhance the efficiency of quantitatively characterizing defects. In this study, the use of Synchrotron White Beam X-ray Topography (SWBXT) to determine the line directions of threading dislocations in 4H–SiC axial slices (sample cut parallel to the growth axis from the boule) is demonstrated. This technique is based on the fact that the projected line directions of dislocations on different reflections are different. Another technique also discussed is the determination of the absolute Burgers vectors of threading mixed dislocations (TMDs) using Synchrotron Monochromatic Beam X-ray Topography (SMBXT). This technique utilizes the fact that the contrast from TMDs varies on SMBXT images as their Burgers vectors change. By comparing observed contrast with the contrast from threading dislocations provided by Ray Tracing Simulations, the Burgers vectors can be determined. Thereafter the distribution of TMDs with different Burgers vectors across the wafer is mapped and investigated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1972

A new method for the determination of the mixing ratio hydrogen to helium in the giant planets.

By using a numerical iterative method, it is demonstrated that the mixing ratio H2/He on the giant planets can be inferred from spectral measurements of the intensity emitted by these planets in the far infrared range. The method is successfully applied to synthetic spectra of Saturn computed from atmospheric thermal models. The effect of random and systematic measurement errors on the determination of the mixing ratio is also studied.

Gautier, D.↗

NASA NTRS1991

The MHOST finite element program: 3-D inelastic analysis methods for hot section components. Volume 1: Theoretical manual

Formulations and algorithms implemented in the MHOST finite element program are discussed. The code uses a novel concept of the mixed iterative solution technique for the efficient 3-D computations of turbine engine hot section components. The general framework of variational formulation and solution algorithms are discussed which were derived from the mixed three field Hu-Washizu principle. This formulation enables the use of nodal interpolation for coordinates, displacements, strains, and stresses. Algorithmic description of the mixed iterative method includes variations for the quasi static, transient dynamic and buckling analyses. The global-local analysis procedure referred to as the subelement refinement is developed in the framework of the mixed iterative solution, of which the detail is presented. The numerically integrated isoparametric elements implemented in the framework is discussed. Methods to filter certain parts of strain and project the element discontinuous quantities to the nodes are developed for a family of linear elements. Integration algorithms are described for linear and nonlinear equations included in MHOST program.

Nakazawa, Shohei↗

DOE OSTI2026

Mixed-precision numerics in scientific applications: survey and perspectives

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision capabilities, which can achieve performance improvements of up to 8x compared to double-precision in extreme compute-intensive workloads, remain largely untapped in most scientific applications. A growing number of efforts have shown that mixed-precision algorithmic innovations can deliver superior performance without sacrificing accuracy. These developments should prompt computational scientists to seriously consider whether their scientific modeling and simulation applications could benefit from the acceleration offered by new hardware and mixed-precision algorithms. In this survey, we (1) review progress across diverse scientific domains—fluid dynamics, weather and climate, quantum chemistry, and computational genomics—that have begun adopting mixed-precision strategies; (2) examine state-of-the-art algorithmic techniques such as iterative refinement, splitting and emulation schemes, and adaptive precision solvers; (3) assess their implications for accuracy, performance, and resource utilization; and (4) survey the emerging software ecosystem that enables mixed-precision methods at scale. We conclude with perspectives and recommendations on cross-cutting opportunities, domain-specific challenges, and the role of co-design between application scientists, numerical analysts, and computer scientists. Collectively, this survey underscores that mixed-precision numerics can reshape computational science by aligning algorithms with the evolving landscape of hardware capabilities.

Graphics processing units↗

NASA NTRS1974

The contamination of lunar highland rocks by KREEP - Interpretation by mixing models

A mixing model method was used to determine the component abundance in the Apollo 16 and 17 soils. This method uses the chemical composition of the soils for up to 30 elements and a weighted least-squares mixing model technique. Elements included in the calculations are: Si, Ti, Al, Ca, Fe, Mg, P, Cr, Mn, Na, K, Rb, Ba, U, Th, La, Ce, Sm, Eu, Sr, Yb, Y, Sc, V, Zr, Nb, Co, Ni, Li, Au, and Ir. The method was used to examine the possibility that some of the highland rocks such as VHA and low-K Fra Mauro basalt are mixtures. The results of the mixing model calculations show that it is possible that these rocks are mixtures of KREEP, troctolite, 'anorthosites', and a meteoritic component. The Rb-Sr systematics are consistent with such a model for the genesis of the highland rocks. KREEP has high relative concentrations of Rb, U, and radiogenic Sr and Pb and its model age of about 4.4 AE dominates the model age of all the 'contaminated' highland rocks.

Schonfeld, E.↗

NASA NTRS1967

Turbulent mixing /analysis/

Approximate methods for solving differential equations of motion to predict free turbulent mixing processes - single-form eddy viscosity model

EDDY VISCOSITY↗

DOE OSTI2015

Mesoporous mixed-phase Ga{sub 2}O{sub 3}: Green synthesis and enhanced photocatalytic activity

Highlights: • Mixed-phase Ga{sub 2}O{sub 3} was synthesized by a facile and green method. • Mixed-phase Ga{sub 2}O{sub 3} exhibited good photocatalytic activity and stability. • The reactive species in the photocatalytic process were investigated. - Abstract: Mesoporous mixed-phase Ga{sub 2}O{sub 3} was synthesized by calcining the GaOOH precursor. The composition, crystal phase and microstructures of Ga{sub 2}O{sub 3} were characterized in detail. The phase composition of the as-prepared Ga{sub 2}O{sub 3} depended on the calcination temperature and the mixed-phase Ga{sub 2}O{sub 3} was obtained at 600–700 °C. As compared to the pure-phase α-Ga{sub 2}O{sub 3} and β-Ga{sub 2}O{sub 3}, the mixed-phase Ga{sub 2}O{sub 3} exhibited an enhanced photocatalytic property for the degradation of metronidazole solution. The heterojunction in the mixed-phase Ga{sub 2}O{sub 3} was beneficial to the separation of photogenerated electrons and holes. Moreover, the mixed-phase Ga{sub 2}O{sub 3} possessed mesopore structure, which increased more reaction sites and was in favor of the contact of metronidazole molecules with reaction sites. The recycling experiments show that the mixed-phase Ga{sub 2}O{sub 3} has good stability and can be separated easily from the reaction system.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Mixed rare earth oxides derived from monazite sand as an inexpensive precursor material for room temperature magnetic refrigeration applications

Highlights: • Compound is synthesized using mixed rare earth oxide derived from monazite sand. • Rietveld refinement confirms the compound is a mixture of rare earth manganites and CeO{sub 2}. • The compound exhibits a magnetic entropy change of 3.28 J kg{sup −1} K{sup −1} under 50 kOe magnetic field at 310 K. • The compound exhibit a RCP of 120 J kg{sup −1} and ΔT{sub ad} of 2.11 K at 310 K under 50 kOe field. - Abstract: An inexpensive perovskite type (RE{sub MIX}){sub 0.67}Sr{sub 0.33}MnO{sub 3} compound is synthesized via solid state method using mixed rare earth oxide precursor derived from monazite sand. Rietveld refinement of X-ray powder diffraction patterns confirms the compound is a mixture of rare earth manganites which is the major phase and CeO{sub 2} as the secondary phase. The compound shows a second order ferromagnetic to paramagnetic transition near room temperature and exhibits a magnetic entropy change (-ΔS{sub M}) of 3.28 J kg{sup −1} K{sup −1} with a relative cooling power (RCP) of 120 J kg{sup −1} and an adiabatic temperature change (ΔT{sub ad}) of 2.11 K at 310 K under 50 kOe magnetic field. The Debye temperature of the compound is found to be 543 K and room temperature thermal conductivity is 4.26 W m{sup −1} K{sup −1}. The temperature variation of electrical resistivity shows a metal to insulator transition around 180 K, which gets shifted towards higher temperature upon the application of magnetic field. The compound shows a large value of −ΔS{sub M} and this work makes an endeavor to develop low–cost materials for the magnetic refrigeration applications near the room temperature.

36 MATERIALS SCIENCE↗

NASA NTRS1983

Method for producing a compressed body of mix-powder for ceramic

Under the invented method, a compressed body of mix powder for ceramic is produced by mixing and stirring several raw powder materials with mixing liquid such as water, and, in the process of sending the resulted viscous material pressurized at 5 kg/cm to 7 kg/cm, using 1.5 to 2 times the pressure to filter and dehydrate, adjusting the water content to 10 to 20%.

Okawa, K.↗

NASA NTRS2013

Methods for Retrievals of CO2 Mixing Ratios from JPL Laser Absorption Spectrometer Flights During a Summer 2011 Campaign

The JPL airborne Laser Absorption Spectrometer instrument has been flown several times in the 2007-2011 time frame for the purpose of measuring CO2 mixing ratios in the lower atmosphere. This instrument employs CW laser transmitters and coherent detection receivers in the 2.05- micro m spectral region. The Integrated Path Differential Absorption (IPDA) method is used to retrieve weighted CO2 column mixing ratios. We present key features of the evolving LAS signal processing and data analysis algorithms and the calibration/validation methodology. Results from 2011 flights in various U.S. locations include observed mid-day CO2 drawdown in the Midwest and high spatial resolution plume detection during a leg downwind of the Four Corners power plant in New Mexico.

laser remote sensing↗

DOE OSTI2019

A neutron-gamma pulse shape discrimination method based on pure and mixed sources

We present a novel trainable approach to distinguish neutrons from gammas using a particle detector. Traditionally, Pulse Shape Discrimination (PSD) methods for this problem utilize an ad-hoc computation of tail signal energy to perform the detection. Our first contribution is a rigorous analysis of the performance of this existing approach on gold standard Time of Flight (TOF) data. While this approach performs well for high energy pulses, its accuracy drops dramatically as the pulse energy decreases. Our second contribution is a novel data driven classifier that is trained from two readily available sources: one that emits gamma particles (Cs-137), and another that emits a mixture of gamma and neutron particles (Cf-252). We test our approach using TOF experiments and show a marked improvement in accuracy over the traditional method for low false positive rates and low energies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Selective Sequential Depolymerization of Mixed Plastics Mediated by Photothermal Conversion

Chemical recycling of plastics into monomers is a promising strategy to achieve a circular economy. However, selective depolymerization methods for mixed plastics are still underdeveloped. Herein, we report a selective and sequential depolymerization strategy for mixed plastics, including poly(L-lactide) (PLLA), polystyrene (PS), and poly(ethylene terephthalate) (PET), using photothermal conversion. We were able to selectively depolymerize PLLA into L-lactide in the presence of PS and PET. Then, PS was selectively depolymerized to styrene, followed by the depolymerization of PET into its monomer. Our protocol was carried out in one pot without any additional purification of the unreacted plastics at each stage. This method was successfully applied to mixtures of post-consumer waste plastic.

carbon black↗

DOE OSTI2017

Method of CO and/or CO.sub.2 hydrogenation to higher hydrocarbons using doped mixed-metal oxides

A method of hydrogenation utilizing a reactant gas mixture comprising a carbon oxide and a hydrogen agent, and a hydrogenation catalyst comprising a mixed-metal oxide containing metal sites supported and/or incorporated into the lattice. The mixed-metal oxide comprises a pyrochlore, a brownmillerite, or mixtures thereof doped at the A-site or the B-site. The metal site may comprise a deposited metal, where the deposited metal is a transition metal, an alkali metal, an alkaline earth metal, or mixtures thereof. Contact between the carbon oxide, hydrogen agent, and hydrogenation catalyst under appropriate conditions of temperature, pressure and gas flow rate generate a hydrogenation reaction and produce a hydrogenated product made up of carbon from the carbon oxide and some portion of the hydrogen agent. The carbon oxide may be CO, CO.sub.2, or mixtures thereof and the hydrogen agent may be H.sub.2. In a particular embodiment, the hydrogenated product comprises olefins, paraffins, or mixtures thereof.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Automation of POST Cases via External Optimizer and "Artificial p2" Calculation

During early conceptual design of complex systems, speed and accuracy are often at odds with one another. While many characteristics of the design are fluctuating rapidly during this phase there is nonetheless a need to acquire accurate data from which to down-select designs as these decisions will have a large impact upon program life-cycle cost. Therefore enabling the conceptual designer to produce accurate data in a timely manner is tantamount to program viability. For conceptual design of launch vehicles, trajectory analysis and optimization is a large hurdle. Tools such as the industry standard Program to Optimize Simulated Trajectories (POST) have traditionally required an expert in the loop for setting up inputs, running the program, and analyzing the output. The solution space for trajectory analysis is in general non-linear and multi-modal requiring an experienced analyst to weed out sub-optimal designs in pursuit of the global optimum. While an experienced analyst presented with a vehicle similar to one which they have already worked on can likely produce optimal performance figures in a timely manner, as soon as the "experienced" or "similar" adjectives are invalid the process can become lengthy. In addition, an experienced analyst working on a similar vehicle may go into the analysis with preconceived ideas about what the vehicle's trajectory should look like which can result in sub-optimal performance being recorded. Thus, in any case but the ideal either time or accuracy can be sacrificed. In the authors' previous work a tool called multiPOST was created which captures the heuristics of a human analyst over the process of executing trajectory analysis with POST. However without the instincts of a human in the loop, this method relied upon Monte Carlo simulation to find successful trajectories. Overall the method has mixed results, and in the context of optimizing multiple vehicles it is inefficient in comparison to the method presented POST's internal optimizer functions like any other gradient-based optimizer. It has a specified variable to optimize whose value is represented as optval, a set of dependent constraints to meet with associated forms and tolerances whose value is represented as p2, and a set of independent variables known as the u-vector to modify in pursuit of optimality. Each of these quantities are calculated or manipulated at a certain phase within the trajectory. The optimizer is further constrained by the requirement that the input u-vector must result in a trajectory which proceeds through each of the prescribed events in the input file. For example, if the input u-vector causes the vehicle to crash before it can achieve the orbital parameters required for a parking orbit, then the run will fail without engaging the optimizer, and a p2 value of exactly zero is returned. This poses a problem, as this "non-connecting" region of the u-vector space is far larger than the "connecting" region which returns a non-zero value of p2 and can be worked on by the internal optimizer. Finding this connecting region and more specifically the global optimum within this region has traditionally required the use of an expert analyst.

Dees, Patrick D.↗

NASA NTRS1991

Optimal least-squares finite element method for elliptic problems

An optimal least squares finite element method is proposed for two dimensional and three dimensional elliptic problems and its advantages are discussed over the mixed Galerkin method and the usual least squares finite element method. In the usual least squares finite element method, the second order equation (-Delta x (Delta u) + u = f) is recast as a first order system (-Delta x p + u = f, Delta u - p = 0). The error analysis and numerical experiment show that, in this usual least squares finite element method, the rate of convergence for flux p is one order lower than optimal. In order to get an optimal least squares method, the irrotationality Delta x p = 0 should be included in the first order system.

Jiang, Bo-Nan↗

DOE OSTI2023

Developing Methodology to Determine Pu Isotopic Composition by Laser Ablation MC-ICP-MS

This project will develop methodology to analyze the Pu isotope ratio in mixed U-Pu particles by laser ablation MC-ICP-MS. This will involve: 1) testing and validation of the Pu analytical method using mixed U-Pu solutions and Pu doped glasses, 2) isotopic analysis of mixed U-Pu particles by laser ablation MC-ICP-MS, and 3) continued development of the R-based data reduction program. Details regarding the analytical method development and results of QC testing will be output as a deliverable to the IAEA, along with an updated version of the LARA data reduction software.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1980

Alternating direction implicit methods for parabolic equations with a mixed derivative

Alternating direction implicit (ADI) schemes for two-dimensional parabolic equations with a mixed derivative are constructed by using the class of all A(0)-stable linear two-step methods in conjunction with the method of approximate factorization. The mixed derivative is treated with an explicit two-step method which is compatible with an implicit A(0)-stable method. The parameter space for which the resulting ADI schemes are second-order accurate and unconditionally stable is determined. Some numerical examples are given.

Beam, R. M.↗

DOE OSTI2022

Charge state distributions in dense plasmas

Charge state distributions in hot, dense plasmas are a key ingredient in the calculation of spectral quantities like the opacity. However, they are challenging to calculate, as models like Saha–Boltzmann become unreliable for dense, quantum plasmas. Here, we present a new variational model for the charge state distribution, along with a simple model for the energy of the configurations that includes the orbital relaxation effect. Comparison with other methods reveals generally good agreement with average atom-based calculations, the breakdown of the Saha–Boltzmann method, and mixed agreement with a chemical model. We conclude that the new model gives a relatively inexpensive, but reasonably high fidelity method of calculating the charge state distribution in hot dense plasmas, in local thermodynamic equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗