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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A regression algorithm for accelerated lattice QCD that exploits sparse inference on the D-Wave quantum annealer

We propose a regression algorithm that utilizes a learned dictionary optimized for sparse inference on a D-Wave quantum annealer. In this regression algorithm, we concatenate the independent and dependent variables as a combined vector, and encode the high-order correlations between them into a dictionary optimized for sparse reconstruction. On a test dataset, the dependent variable is initialized to its average value and then a sparse reconstruction of the combined vector is obtained in which the dependent variable is typically shifted closer to its true value, as in a standard inpainting or denoising task. Here, a quantum annealer, which can presumably exploit a fully entangled initial state to better explore the complex energy landscape, is used to solve the highly non-convex sparse coding optimization problem. The regression algorithm is demonstrated for a lattice quantum chromodynamics simulation data using a D-Wave 2000Q quantum annealer and good prediction performance is achieved. The regression test is performed using six different values for the number of fully connected logical qubits, between 20 and 64. The scaling results indicate that a larger number of qubits gives better prediction accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Lossy compression of statistical data using quantum annealer

Abstract We present a new lossy compression algorithm for statistical floating-point data through a representation learning with binary variables. The algorithm finds a set of basis vectors and their binary coefficients that precisely reconstruct the original data. The optimization for the basis vectors is performed classically, while binary coefficients are retrieved through both simulated and quantum annealing for comparison. A bias correction procedure is also presented to estimate and eliminate the error and bias introduced from the inexact reconstruction of the lossy compression for statistical data analyses. The compression algorithm is demonstrated on two different datasets of lattice quantum chromodynamics simulations. The results obtained using simulated annealing show 3–3.5 times better compression performance than the algorithm based on neural-network autoencoder. Calculations using quantum annealing also show promising results, but performance is limited by the integrated control error of the quantum processing unit, which yields large uncertainties in the biases and coupling parameters. Hardware comparison is further studied between the previous generation D-Wave 2000Q and the current D-Wave Advantage system. Our study shows that the Advantage system is more likely to obtain low-energy solutions for the problems than the 2000Q.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The effects of high-pressure annealing on magnetostructural transitions and magnetoresponsive properties in stoichiometric MnCoGe

In this study, phase transitions (structural and magnetic) and associated magnetocaloric properties of stoichiometric MnCoGe have been investigated as a function of annealing pressure. Metastable phases were generated by annealing at 800 °C followed by rapid cooling under pressures up to 6.0 GPa. The x-ray diffraction results reveal that the crystal cell volume of the metastable phases continuously decreases with increasing thermal processing pressure, leading to a decrease in the structural transition temperature. The magnetic and structural transitions merge and form a first-order magnetostructural transition between the ferromagnetic orthorhombic and paramagnetic hexagonal phases over a broad temperature range (>80 K) spanning room temperature, yielding considerable magnetic entropy changes. These findings demonstrate the utility of thermal processing under high pressure, i.e., high-pressure annealing, to control the magnetostructural transitions and associated magnetocaloric properties of MnCoGe without altering its chemical composition.

Physics↗
DOE OSTI2024

In situ study of microstructure evolution and α → ω phase transition in annealed and pre-deformed Zr under hydrostatic loading

The detailed study of the effect of the initial microstructure on its evolution under hydrostatic compression before, during, and after the irreversible α → ω phase transformation and during pressure release in Zr using in situ x-ray diffraction is presented. Two samples were studied: one is plastically pre-deformed Zr with saturated hardness and the other is annealed. Phase transformation α → ω initiates at lower pressure for a pre-deformed sample but for a volume fraction of ω Zr, c > 0.7, a larger volume fraction is observed for the annealed sample. This implies that the proportionality between the athermal resistance to the transformation and the yield strength in the continuum phase transformation theory is invalid; an advanced version of the theory is outlined. Phenomenological plasticity theory under hydrostatic loading is outlined in terms of microstructural parameters, and plastic strain is estimated. During transformation, the first rule is suggested, i.e., the average domain size, microstrain, and dislocation density in ω Zr for c < 0.8 are functions of the volume fraction, c of ω Zr only, which are independent of the plastic strain tensor prior to transformation and pressure. The microstructure is not inherited during phase transformation. Surprisingly, for the annealed sample, the final dislocation density and the average microstrain after pressure release in the ω phase are larger than for the severely pre-deformed sample. The results suggest that an extended experimental basis is required for the predictive models for the combined pressure-induced phase transformations and microstructure evolutions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of tensile loading during annealing of alnico melt spun ribbons

Conventional magnetic annealing (MA) of the permanent magnet alloy alnico involves application of an external magnetic field at temperatures within the spinodal decomposition range. This field biases the growth of the Fe-Co rich, ferromagnetic α 1 -phase in an energetically favorable 〈001〉 direction in alignment with the applied field within an Al-Ni rich, paramagnetic α 2 -phase. Utilizing a magnetic field to bias the α 1 -phase may limit alnico from reaching theoretical coercivity due to (1) the field having maximum biasing ability at temperatures near the Curie temperature where large α 1 -phase nanorods form and (2) connectivity of the α 1 -phase occurs unavoidably during MA. Both decrease the effective shape anisotropy of the α 1 -phase, thereby reducing coercivity. Herein, we explore tensile-loading as a biasing mechanism to control and optimize the final alnico nanostructure beyond that achieved by MA. Two samples of melt-spun alnico were heat-treated at 860 °C for 5 minutes: one sample was subjected to 10 MPa tensile stress for comparison with a stress-free control sample. Structural and magnetic characterization revealed that the stress-annealed ribbon sample possessed expected phase assemblages, but was distinguished by a ∼2× larger grain diameter and an elongated anisotropic α 1 -phase within grains that were oriented to a shear stress along 〈001〉 directions at an angle of ∼45° relative to the loading direction. Both types of annealing produced a similar increase in the coercivity and remanence, but a decrease in saturation magnetization.

Rinko, E. A.↗
DOE OSTI2024

Solving the homogeneous Bethe-Salpeter equation with a quantum annealer

The homogeneous Bethe-Salpeter equation (hBSE), describing a bound system in a genuinely relativistic quantum-field theory framework, was solved for the first time by using a D-Wave quantum annealer. After applying standard techniques of discretization, the hBSE, in ladder approximation, can be formally transformed in a generalized eigenvalue problem (GEVP), with two square matrices: one symmetric and the other nonsymmetric. The latter matrix poses the challenge of obtaining a suitable formal approach for investigating the GEVP by means of a quantum annealer, i.e., to recast it as a quadratic unconstrained binary optimization problem. A broad numerical analysis of the proposed algorithms, applied to matrices of dimension up to 64, was carried out by using both the simulated-annealing package and the D-Wave . The numerical results very nicely compare with those obtained with standard classical algorithms, and also show interesting scalability features. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Optimal Protocols in Quantum Annealing and Quantum Approximate Optimization Algorithm Problems

Quantum annealing (QA) and the quantum approximate optimization algorithm (QAOA) are two special cases of the following control problem: apply a combination of two Hamiltonians to minimize the energy of a quantum state. Which is more effective has remained unclear. Here we analytically apply the framework of optimal control theory to show that generically, given a fixed amount of time, the optimal procedure has the pulsed (or “bang-bang”) structure of QAOA at the beginning and end but can have a smooth annealing structure in between. This is in contrast to previous works which have suggested that bang-bang (i.e., QAOA) protocols are ideal. To support this theoretical work, we carry out simulations of various transverse field Ising models, demonstrating that bang-anneal-bang protocols are more common. Futher, the general features identified here provide guideposts for the nascent experimental implementations of quantum optimization algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Enhancement in electro-optic performance of InAlGaAs/GaAs quantum dot lasers by ex situ thermal annealing

Here, this Letter reports the growth, fabrication, and characterization of molecular beam epitaxy (MBE)-grown quaternary InAlGaAs/GaAs quantum dot (QD) lasers emitting at sub-900 nm. The presence of Al in QD-based active regions acts as the origin of defects and non-radiative recombination centers. Applying optimized thermal annealing annihilates the defects in p-i-n diodes, thus lowering the reverse leakage current by six orders of magnitude compared to as-grown devices. A systematic improvement in the optical properties of the devices is also observed in the laser devices with increasing annealing time. At an annealing temperature of 700°C for 180 s, Fabry–Pérot lasers exhibit a lower pulsed threshold current density at infinite length of 570 A/cm 2 .

42 ENGINEERING↗
DOE OSTI2020

Detecting multiple communities using quantum annealing on the D-Wave system

A very important problem in combinatorial optimization is the partitioning of a network into communities of densely connected nodes; where the connectivity between nodes inside a particular community is large compared to the connectivity between nodes belonging to different ones. This problem is known as community detection, and has become very important in various fields of science including chemistry, biology and social sciences. The problem of community detection is a twofold problem that consists of determining the number of communities and, at the same time, finding those communities. This drastically increases the solution space for heuristics to work on, compared to traditional graph partitioning problems. In many of the scientific domains in which graphs are used, there is the need to have the ability to partition a graph into communities with the “highest quality” possible since the presence of even small isolated communities can become crucial to explain a particular phenomenon. We have explored community detection using the power of quantum annealers, and in particular the D-Wave 2X and 2000Q machines. It turns out that the problem of detecting at most two communities naturally fits into the architecture of a quantum annealer with almost no need of reformulation. This paper addresses a systematic study of detecting two or more communities in a network using a quantum annealer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Impact of Annealing on Superconducting Properties of Tantalum Thin Films

The pursuit for higher-coherence superconducting qubits has led to the adoption of new materials and innovative fabrication techniques. Among the commonly used superconducting materials, tantalum-based or tantalum-capped superconducting qubits have demonstrated the longest lifetimes, outperforming niobium devices even in the presence of their native oxides. Given the losses introduced by the surface oxide, one method to further improve performance is to reduce or eliminate the native oxide on tantalum through UHV annealing. In this work, we examine the effect of dissolved oxygen as a function of annealing temperature on the superconducting properties of tantalum thin films. Dissolved oxygen is quantified using atom probe tomography (APT) and secondary ion mass spectrometry (TOF-SIMS) and correlated with electromagnetic transport measurements performed using a Physical Property Measurement System (PPMS). This study observes that annealing decomposes the native oxide and drives oxygen diffusion into the film matrix. Increasing oxygen content decreases the superconducting transition temperature (Tc) and the residual resistivity ratio (RRR). The critical field decreases with the incorporation of oxygen, while the film’s coherence length decreases relatively by 5%. These results, as well as findings from ongoing studies linking fabrication processes to the structural and chemical properties of the superconducting film and Josephson junction, provide insight into effective strategies for improving the performance of superconducting devices.

Shinde, Maithilee [IIT, Chicago; Fermilab]↗
NASA NTRS1971

Recombination luminescence in irradiated silicon - Effects of thermal annealing and lithium impurity.

Use of luminescence in irradiated silicon to determine the thermal stability of the defects responsible for the recombination. It is found that the defect responsible for the zero-phonon line at 0.97 eV has an annealing behavior similar to that of the divacancy and that the zero-phonon line at 0.79 eV anneals in a manner similar to the G-15 or K-center. Annealing at temperatures up to 500 C generates other defects whose luminescence is distinct from that seen previously. Addition of lithium to the material produces defects with new characteristic luminescence. Of particular importance is a defect with a level at E sub g -1.045 eV.

Johnson, E. S.↗
NASA NTRS1976

Exoelectron emission from a clean, annealed magnesium single crystal during oxygen adsorption

Exoelectron emission was observed from a clean, annealed Mg (0001) surface during oxygen and chlorine adsorption at pressures of 6.5x10 0.00001- N/sq m and lower. the studies were performed in an ultrahigh vacuum system. The crystals were cleaned by argon ion bombardment and annealed at 300 C. Auger electron spectroscopy was used to verify surface cleanliness, and low energy electron diffraction was used to verify that the surface was annealed. The emission was found to be oxygen arrival rate dependent. Two peaks were observed in the electron emission with exposure. Evidence is presented that the formation of the second peak corresponds to oxidation of the Mg surface. No emission was observed from clean aluminum during adsorption. Results verify that electron emission occurs from a strain free surface simply upon adsorption of oxygen. A qualitative explanation for the mechanisms of emission in terms of chemical effects is presented.

Ferrante, J.↗
NASA NTRS1976

Exoelectron emission from a clean, annealed magnesium single crystal during oxygen adsorption

Exoelectron emission has been observed from a clean, annealed Mg (0001) surface during oxygen and chlorine adsorption at pressures of 0.000065 N/sq m and lower. The studies were performed in an ultrahigh vacuum system. The crystals were cleaned by argon-ion bombardment and annealed at 300 C. Auger electron spectroscopy was used to verify surface cleanliness, and low-energy electron diffraction was used to verify that the surface was annealed. The emission was found to be dependent on oxygen arrival rate. Two peaks were observed in the electron emission with exposure. Evidence is presented that the formation of the second peak corresponds to oxidation of the Mg surface. The results verify that electron emission occurs from a strain-free surface simply upon adsorption of oxygen. A qualitative explanation for the mechanisms of emission in terms of chemical effects is presented.

Ferrante, J.↗
NASA NTRS1976

Irradiate-anneal screening of total dose effects in semiconductor devices

Judicious choice of radiation dose and parameter change acceptance criteria, absence of anomalous anneal phenomena, and absence of anomalous reirradiation effects are recognized as essential for a successful irradiation-anneal (IRAN) screening procedure to ensure that no device will fall, upon reirradiation, above parametric limits assigned for the worst case application. Reirradiation and irradiation-anneal behavior of various semiconductor devices are compared and those that do not lend themselves to IRAN screening are singled out. Information needed to judge the suitability of an IRAN type screening program is detailed. Reasons for success of the limited IRAN screening of flight parts for the Mariner Jupiter/Saturn (MJS '77) spacecraft are indicated.

Stanley, A. G.↗
NASA NTRS1978

Deformation and annealing study of NiCrAlY

The elevated temperature properties (tensile and creep) of NiCrALY, a nickel base alloy containing nominally 16% chromium, 4% aluminum, and 2 to 3% yttria (Y2O3) were evaluated and the optimal combination of thermomechanical treatments for maximum creep resistance was determined. Stored strain energy in as-extruded bars (14:1 extrusion ratio) permitted the development of a large grain size in the material when it was annealed at the maximum safe temperature 2450 F (1343 C). With a one-hour anneal at this temperature, the relatively fine grain size of the as-extruded material was changed to one in which the average grain diameter approached 1 mm, and the aspect ratio was about 10. The material was capable of being cold worked (by rolling) in amounts greater than 30% reduction in area. When the cold worked material was given a relaxation treatment, consisting of heating one hour at 1600 F(871 C), and then a high temperature anneal at 2450 F (1343 C) for one hour, both the high temperature strength and the high temperature creep resistance of the material was further enhanced.

Ebert, L. J.↗
NASA NTRS1980

Effects of thermal annealing on the deep-level defects and I-V characteristics of 200 keV proton irradiated AlGaAs-GaAs solar cells

Detailed characterization of deep-level defects and analysis of dark I-V data in 200 keV proton irradiated AlGaAs-GaAs solar cells have been carried out for several proton fluences (5 x 10 to the 11th, 10 to the 12th, and 10 to the 13th P/sq cm), using DLTS, C-V, and I-V measurement techniques. To study the effect of low temperature thermal annealing on the deep-level defect properties, these irradiated samples were annealed in vacuum at 300 C for one hour. Comparison was then made on the measured defect parameters (i.e., defect energy levels and densities) and the dark I-V characteristics for both the annealed and unannealed samples.

Li, S. S.↗
NASA NTRS1980

Low-cost ion implantation and annealing technology for solar cells

Ion implantation and thermal annealing techniques for processing junctions and back surface layers in solar cells are discussed. Standard 10 keV (31)p(+) junction implants and 25 keV (11)B(+) back surface implants in combination with three-step furnace annealing are used for processing a range of silicon materials and device structures. Cells with efficiencies up to 16.5% AM1 are being produced, and large-area terrestrial cells with implanted junctions and back fields being fabricated in pilot production exhibit average efficiencies in excess of 15% AM1. Thermal annealing methods for removal of the radiation damage caused by implantation should be replaced by transient processing techniques in future production. Design studies have been completed for solar cell processing implanters to support 10 MW/yr and 100 MW/yr production lines, and analyses indicate that implantation costs can be reduced to approximately 1 cent/watt.

Kirkpatrick, A. H.↗
NASA NTRS1981

Processing of silicon solar cells by ion implantation and laser annealing

Methods to improve the radiation tolerance of silicon cells for spacecraft use are described. The major emphasis of the program was to reduce the process-induced carbon and oxygen impurities in the junction and base regions of the solar cell, and to measure the effect of reduced impurity levels on the radiation tolerance of cells. Substrates of 0.1, 1.0 and 10.0 ohm-cm float-zone material were used as starting material in the process sequence. High-dose, low-energy ion implantation was used to form the junction in n+p structures. Implant annealing was performed by conventional furnace techniques and by pulsed laser and pulsed electron beam annealing. Cells were tested for radiation tolerance at Spire and NASA-LeRC. After irradiation by 1 MeV electrons to a fluence of 10 to the 16th power per sq cm, the cells tested at Spire showed no significant process induced variations in radiation tolerance. However, for cells tested at Lewis to a fluence of 10 to the 15th power per sq cm, ion-implanted cells annealed in vacuum by pulsed electron beam consistently showed the best radiation tolerance for all cell resistivities.

Minnucci, J. A.↗