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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Detecting the undetected: Dealing with non-routine events using advanced M&V meter-based savings approaches

In a rapidly evolving energy industry, utilities are dealing with new challenges like integrating distributed energy resources and market saturation for advanced lighting retrofits. Demand-side management programs require new approaches to meet aggressive carbon reduction goals. Advanced measurement & verification (M&V) is an energy data analysis method using smart meter data in combination with analytics to quantify energy efficiency project savings. Advanced M&V shows great promise for supporting next generation commercial programs including retro commissioning, multi-measure retrofits, and behavior change programs. Advanced M&V captures real project impacts at the meter, but sometimes non-project events can also impact consumption (so-called “non-routine events” [NREs]). Accurately detecting and accounting for NREs is important for reducing uncertainty of savings estimates and helps manage investment risk for different stakeholders (e.g., utilities, building owners, ESCOs). Recent research has shown promise in establishing data-driven techniques to identify and adjust for NREs, but fundamental questions still remain, such as: how can you distinguish NREs from acceptable noise in energy consumption profiles? What is the frequency and magnitude of NREs? Can their detection and adjustment be automated and streamlined? This paper documents the state of the art in NRE quantification and analysis. The results of research to quantify the frequency, nature and direction of NREs, and methods and metrics for determining a trigger threshold for taking action on NREs are presented. The paper also documents the latest technical guidance on application of NRE detection and adjustment methods.

Fernandes, Samuel↗
DOE OSTI2021

Gemma V&V/UQ/Credibility Activities: FY2020 Progress

This report describes the credibility activities undertaken in support of Gemma code development in FY20, which include Verification & Validation (V&V), Uncertainty Quantification (UQ), and Credibility process application. The main goal of these activities is to establish capabilities and process frameworks that can be more broadly applied to new and more advanced problems as the Gemma code development effort matures. This will provide Gemma developers and analysts with the tools needed to generate credibility evidence in support of Gemma predictions for future use cases. The FY20 Gemma V&V/UQ/Credibility activities described in this report include experimental uncertainty analysis, the development and use of methods for optimal design of computer experiments, and the development of a framework for validation. These initial activities supported the development of broader credibility planning for Gemma that continued into FY21.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Multiplication of freestanding III-V semiconductor membranes from a single wafer by alternating growth with amorphous graphene interlayer

Freestanding single-crystalline III-V compound semiconductors are important building blocks for functional devices due to their high electron mobilities, a wide range of bandgaps, and excellent optoelectronic properties. Despite efforts to produce such membranes by detaching epitaxial layers from donor wafers, current methods suffer from either slow processes or poor material quality. Here, we demonstrate a technique to grow and harvest multiple epitaxial membranes with extremely high throughput at the wafer scale. For this, a process to directly grow amorphous graphene on III-V substrates in metal-organic chemical vapor deposition reactors is developed, which enables an advanced remote epitaxy scheme comprised of multiple alternating layers of amorphous graphene and III-V epitaxial layers that can be formed by a single epitaxy run. Each epilayer in the multi-stack structure is then harvested by layer-by-layer peeling, producing multiple freestanding membranes with unprecedented throughput from a single wafer. Because amorphous graphene provides a weak van der Waals interface that allows peeling at the interface without damaging the epilayer or the substrate, wafers can be reused for subsequent membrane production. Therefore, this work represents a meaningful step toward high-throughput and low-cost production of single-crystal membranes that can be heterointegrated.

Han, Ne Myo↗
DOE OSTI2022

Amorphous 2D Materials – A Novel Platform for Remote Epitaxy and Nanopatterned Epitaxy of III-V Semiconductors with Low Decomposition Temperatures

III-V semiconductor materials such as indium phosphide (InP) offer outstanding photonic properties that outperforms silicon, but the cost of these wafers is extremely expensive. Although reusing original wafers can effectively minimize the cost, current techniques for wafer recycling of these substrates add significant costs in fabrication, nullifying the cost savings by reusing the wafers. Besides, unlike other III-V materials such as gallium arsenide (GaAs), commonly used epitaxial lift-off method for wafer recycling is not well studied for materials like InP due to lack of lattice-matched sacrificial layers, which makes reusing these wafers more difficult. Remote epitaxy and nanopatterned epitaxy are newly discovered methods that enable single-crystal growth of III-V semiconductor thin films and easy exfoliation of these grown films, thus promising for a new cost-effective pathway of reusing wafers. However, previous methods of transferring two-dimensional (2D) materials, which use polymethyl methacrylate (PMMA) or metal stressor layers to transfer 2D materials grown on foreign substrates like copper (Cu) or silicon carbide (SiC), introduce defects and damages on the 2D layer and/or substrates during the transfer process. Remote epitaxial and nanopatterned epitaxial films grown on the damaged 2D layer/substrate suffer from lower crystal quality and imperfect exfoliation, which undermines wafer reusability and device performance. Here we report the MBE growth of amorphous boron nitride (a-BN) on InP wafers at low temperature that enabled improved quality of remote epitaxial and nanopatterned epitaxial films and their perfect exfoliation. We show fully covered a-BN on InP substrates despite their low decomposition temperatures. The surface of a-BN coated InP substrate remains smooth with a RMS roughness of around 3Â. We also demonstrate 100% coverage of single-crystal InP thin films grown on a-BN, with the film's quality significantly improved compared to the case of transferred 2D materials. In addition, the growth and exfoliation were successfully repeated multiple times, proving the feasibility for InP wafer recycling. Through this low temperature MBE growth approach with remote epitaxy and nanopatterned epitaxy, we successfully demonstrate large-scale flexible thin film exfoliation and recycling of InP substrates, which will lead to new opportunities in InP thin film-based photonics and novel heterostructures with significantly reduced cost.

Lu, Kuangye↗
DOE OSTI2022

Amorphous 2D Materials – A Novel Platform for Remote Epitaxy and Nanopatterned Epitaxy of III-V Semiconductors with Low Decomposition Temperatures

III-V semiconductor materials such as indium phosphide (InP) offer outstanding photonic properties that outperforms silicon, but the cost of these wafers is extremely expensive. Although reusing original wafers can effectively minimize the cost, current techniques for wafer recycling of these substrates add significant costs in fabrication, nullifying the cost savings by reusing the wafers. Besides, unlike other III-V materials such as gallium arsenide (GaAs), commonly used epitaxial lift-off method for wafer recycling is not well studied for materials like InP due to lack of lattice-matched sacrificial layers, which makes reusing these wafers more difficult. Remote epitaxy and nanopatterned epitaxy are newly discovered methods that enable single-crystal growth of III-V semiconductor thin films and easy exfoliation of these grown films, thus promising for a new cost-effective pathway of reusing wafers. However, previous methods of transferring two-dimensional (2D) materials, which use polymethyl methacrylate (PMMA) or metal stressor layers to transfer 2D materials grown on foreign substrates like copper (Cu) or silicon carbide (SiC), introduce defects and damages on the 2D layer and/or substrates during the transfer process. Remote epitaxial and nanopatterned epitaxial films grown on the damaged 2D layer/substrate suffer from lower crystal quality and imperfect exfoliation, which undermines wafer reusability and device performance. Here we report the MBE growth of amorphous boron nitride (a-BN) on InP wafers at low temperature that enabled improved quality of remote epitaxial and nanopatterned epitaxial films and their perfect exfoliation. We show fully covered a-BN on InP substrates despite their low decomposition temperatures. The surface of a-BN coated InP substrate remains smooth with a RMS roughness of around 3Å. We also demonstrate 100% coverage of single-crystal InP thin films grown on a-BN, with the film's quality significantly improved compared to the case of transferred 2D materials. In addition, the growth and exfoliation were successfully repeated multiple times, proving the feasibility for InP wafer recycling. Through this low temperature MBE growth approach with remote epitaxy and nanopatterned epitaxy, we successfully demonstrate large-scale flexible thin film exfoliation and recycling of InP substrates, which will lead to new opportunities in InP thin film-based photonics and novel heterostructures with significantly reduced cost.

Lu, Kuangye↗
DOE OSTI2024

Area V: Waste Management and Subsurface Science (FY21-23 Final Report)

The objective of the Waste Management and Subsurface Science Topic Area V project is to evaluate the feasibility and safety of an intermediate-depth borehole for disposal of Israel Atomic Energy Commission (IAEC) nuclear waste. The IAEC nuclear waste is currently stored in above ground and/or in near-surface facilities that provide short-term radiological worker safety but do not provide long-term, full security and safeguards protection for the nuclear material. Disposal of the IAEC nuclear waste several hundred meters below the surface in a sealed borehole would provide long-term security and safeguards due to its depth underground, as well as long-term radiological safety, due to its isolation in a stable geological formation. This project supports the nuclear security and safeguards initiatives of the Science and Technology Working Group of the NNSA/IAEC Memorandum of Understanding (MOU) and addresses the Topic Area V objective and associated goals. The goals for Topic Area V are: (1) Assess the suitability of the vadose zone in the Yamin Plain of the northern Negev Desert, Israel as a host location for intermediate-depth borehole disposal of radioactive waste, (2) Define and refine the necessary characterization needs to better understand the regional climate, structure, and stratigraphy, geomechanics, geochemistry, hydrogeology, and seismicity of the stratigraphic sequence from the surface to the water table in the vicinity of the proposed host location for the disposal borehole(s), and (3) Develop a preliminary plan and schedule, including necessary resources and costs, for a borehole disposal concept and robust and transparent pre-closure and post-closure safety assessments. The safety assessments will require iteration with process level models at both site and regional scales. Upon completion, the information collected by this effort will allow the IAEC to make decisions regarding the viability and applicability of an intermediate depth (<500m) borehole for disposal in the vadose zone of the Yamin Plain. This FY21-23 final report is provided in lieu of a workshop report that was originally planned for delivery in January, 2024. Due to the conflict in Israel and associated delays, the workshop has been delayed to April 2024. The workshop will be held at LLNL but offsite and will switch to hybrid if travel restrictions remain in place. The associated workshop report will be provided as part of a new FY24-26 LCP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Applying Two-Dimensional Correlation Spectroscopy and Principal Component Analysis to Understand How Temperature Affects the Neptunium(V) Absorption Spectrum

The visible-near infrared (Vis-NIR) electronic absorption spectrum of neptunium(V) (NpO 2 + ) comprises numerous f-f electronic transitions with mostly undocumented temperature dependencies. The effect of temperature on the absorption spectrum of the pentavalent neptunyl dioxocation (NpO 2 + ) is an important factor to consider with spectrophotometric applications but has often been overlooked. Optical Vis-NIR absorption spectra (400–1700 nm) of Np(V) (0.017–0.89 M) in 1 M nitric acid were evaluated with varying temperatures (T = 10–80 °C). The intensity, position, and overall shape of the bands were sensitive to interactions with the solvent and coordination environment. Numerous temperature-induced isosbestic points were identified resulting from dynamic, overlapping peak shifts. Spectral variations were characterized using principal component analysis (PCA) and 2D correlation spectroscopy (COS). 2D-COS revealed that the absorption band near 1095 nm likely consists of two bands centered near 1087 and 1096 nm, which cannot be explained by current computational methods. 2D-COS analysis also provided an unambiguous assignment of unresolved peaks in the visible region for comparison with computational predictions. PCA was used to identify nonlinearity in the spectral response at elevated Np(V) concentrations ≥ 0.5 M. This unique experimental data and interpretation will foster a deeper understanding of the absorption spectra for complex actinyl ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Mechanical and Thermal Properties of Low-Density Al 20+x Cr 20-x Mo 20-y Ti 20 V 20+y Alloys

Refractory high-entropy alloys (RHEAs) Al 20+x Cr 20-x Mo 20-y Ti 20 V 20+y ((x, y) = (0, 0), (0, 10), and (10, 15)) were computationally studied to obtain a low density and a better mechanical property. The density functional theory (DFT) method was employed to compute the structural and mechanical properties of the alloys, based on a large unit cell model of randomly distributed elements. Debye–Grüneisen theory was used to study the thermal properties of Al 20+x Cr 20-x Mo 20-y Ti 20 V 20+y . The phase diagram calculation shows that all three RHEAs have a single body-centered cubic (BCC) structure at high temperatures ranging from 1000 K to 2000 K. The RHEA Al 30 Cr 10 Mo 5 Ti 20 V 35 has shown a low density of 5.16 g/cm 3 and a hardness of 5.56 GPa. The studied RHEAs could be potential candidates for high-temperature application materials where high hardness, ductility, and low density are required.

36 MATERIALS SCIENCE↗
DOE OSTI2021

SDSS-V Algorithms: Fast, Collision-free Trajectory Planning for Heavily Overlapping Robotic Fiber Positioners

Robotic fiber positioner (RFP) arrays are becoming heavily adopted in wide-field massively multiplexed spectroscopic survey instruments. RFP arrays decrease nightly operational overheads through rapid reconfiguration between fields and exposures. In comparison to similar instruments, SDSS-V has selected a very dense RFP packing scheme where any point in a field is typically accessible to three or more robots. This design provides flexibility in target assignment. However, the task of collisionless trajectory planning is especially challenging. We present two multiagent distributed control strategies that are highly efficient and computationally inexpensive for determining collision-free paths for RFPs in heavily overlapping workspaces. We demonstrate that a reconfiguration path between two arbitrary robot configurations can be efficiently found if a “folded” state, in which all robot arms are retracted and aligned in a lattice-like orientation, is inserted between the initial and final states. Although developed for SDSS-V, the approach we describe is generic and thus applicable to a wide range of RFP designs and layouts. Robotic fiber positioner technology continues to advance rapidly, and in the near future ultra-densely packed RFP designs may be feasible. Our algorithms are especially capable in routing paths in very crowded environments, where we see efficient results even in regimes significantly more crowded than the SDSS-V RFP design.

42 ENGINEERING↗
DOE OSTI2023

The Eighteenth Data Release of the Sloan Digital Sky Surveys: Targeting and First Spectra from SDSS-V

The eighteenth data release (DR18) of the Sloan Digital Sky Survey (SDSS) is the first one for SDSS-V, the fifth generation of the survey. SDSS-V comprises three primary scientific programs or “Mappers”: the Milky Way Mapper (MWM), the Black Hole Mapper (BHM), and the Local Volume Mapper. This data release contains extensive targeting information for the two multiobject spectroscopy programs (MWM and BHM), including input catalogs and selection functions for their numerous scientific objectives. We describe the production of the targeting databases and their calibration and scientifically focused components. DR18 also includes ~25,000 new SDSS spectra and supplemental information for X-ray sources identified by eROSITA in its eFEDS field. We present updates to some of the SDSS software pipelines and preview changes anticipated for DR19. We also describe three value-added catalogs (VACs) based on SDSS-IV data that have been published since DR17, and one VAC based on the SDSS-V data in the eFEDS field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Probing Optimal Reaction Energy for Synthesis of Element 119 from 51 V+ 248 Cm Reaction with Quasielastic Barrier Distribution Measurement

Here, the quasielastic barrier distribution of 51 V+ 248 Cm was extracted by measuring the excitation function of quasielastic backscattering using a gas-filled recoil ion separator, GARIS-III. The obtained barrier distribution is well explained by the coupled-channels calculation, indicating a significant effect of the rotational excitation of deformed 248 Cm. From the measured average Coulomb barrier height and deformation parameters of 248 Cm, the side-collision energy leading to a compact configuration of colliding nuclei was obtained. The relation between the side collision energy and the excitation function of the evaporation-residue cross sections in the 48 Ca+ 248 Cm system was evaluated as a reference for the 51 V+ 248 Cm case. The optimal reaction energy to synthesize a new element 119 at the 51 V+ 248 Cm fusion reaction (3n and 4n channels) was estimated with an aid of these experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Methods for depositing III-V compositions on silicon

The present disclosure relates to a method that includes directing a first precursor that includes a Group III element and a second precursor that includes a Group V element to a chamber containing crystalline silicon, where the crystalline silicon includes a substantially planar surface that is patterned with a plurality of v-grooves and the directing results in the forming of a III-V crystal preferentially on a (111) Si surface of the crystalline silicon.

Warren, Emily Lowell↗
DOE OSTI2021

Generation and enhancement of surface acoustic waves on a highly doped p-type III-V semiconductor substrate

A device employing the generation and enhancement of surface acoustic waves on a highly doped p-type III-V semiconductor substrate (e.g., GaAs, GaSb, InAs, or InGaAs). The device includes two SiO 2 /ZnO islands, each including a SiO 2 buffer layer deposited on the doped p-type III-V semiconductor substrate and a ZnO layer deposited on the SiO 2 buffer layer. An input interdigital transducers (IDT) and an output IDT are each patterned on one of the SiO 2 /ZnO islands. The IDTs generates surface acoustic waves along an exposed surface of the highly doped p-type III-V semiconductor substrate. The surface acoustic waves improve the photoelectric and photovoltaic properties of the device. The device is manufactured using a disclosed technique for propagating strong surface acoustic waves on weak piezoelectric materials. Also disclosed is a photodetector developed using that technique.

Dong, Boqun↗
DOE OSTI2022

Multiplication of freestanding III-V semiconductor membranes from a single wafer by alternating growth with amorphous graphene interlayer

Freestanding single-crystalline III-V compound semiconductors are important building blocks for functional devices due to their high electron mobilities, a wide range of bandgaps, and excellent optoelectronic properties. Despite efforts to produce such membranes by detaching epitaxial layers from donor wafers, current methods suffer from either slow processes or poor material quality. Here, we demonstrate a technique to grow and harvest multiple epitaxial membranes with extremely high throughput at the wafer scale. For this, a process to directly grow amorphous graphene on III-V substrates in metal-organic chemical vapor deposition reactors is developed, which enables an advanced remote epitaxy scheme comprised of multiple alternating layers of amorphous graphene and III-V epitaxial layers that can be formed by a single epitaxy run. Each epilayer in the multi-stack structure is then harvested by layer-by-layer peeling, producing multiple freestanding membranes with unprecedented throughput from a single wafer. Because amorphous graphene provides a weak van der Waals interface that allows peeling at the interface without damaging the epilayer or the substrate, wafers can be reused for subsequent membrane production. Therefore, this work represents a meaningful step toward high-throughput and low-cost production of single-crystal membranes that can be heterointegrated.

Han, Ne Myo↗
DOE OSTI2021

Measurements of $\pi ^\pm $, $K^\pm $, p and $\bar{p}$ spectra in $^7$Be+$^9$Be collisions at beam momenta from 19A to 150A ${\mathrm{Ge} \mathrm{V}}\!/\!c$ with the NA61/SHINE spectrometer at the CERN SPS

The NA61/SHINE experiment at the CERN Super Proton Synchrotron (SPS) studies the onset of deconfinement in hadron matter by a scan of particle production in collisions of nuclei with various sizes at a set of energies covering the SPS energy range. This paper presents results on inclusive double-differential spectra, transverse momentum and rapidity distributions and mean multiplicities of $\pi^, \pm K^\pm$ p and $\bar{p}$ produced in the 20% most central Be+$^9$ Be collisions at beam momenta of 19A, 30A, 40A, 75A and 150A ${\mathrm{Ge} \mathrm{V}}\!/\!c$. The energy dependence of the $K^\pm/ \pi^\pm$ ratios as well as of inverse slope parameters of the $K^\pm$ transverse mass distributions are close to those found in inelastic $p+p$ reactions. The new results are compared to the world data on $p+p and Pb+Pb collisions as well as to predictions of the Epos , U r qmd , Ampt , Phsd and Smash models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Spectra and mean multiplicities of $π^-$ in central 40 Ar+ 45 Sc collisions at 13A, 19A, 30A, 40A, 75A and 150A Ge V / c beam momenta measured by the NA61/SHINE spectrometer at the CERN SPS

The physics goal of the strong interaction program of the NA61/SHINE experiment at the CERN Super Proton Synchrotron (SPS) is to study the phase diagram of hadronic matter by a scan of particle production in collisions of nuclei with various sizes at a set of energies covering the SPS energy range. This paper presents differential inclusive spectra of transverse momentum, transverse mass and rapidity of π - mesons produced in central 40 Ar+ 45 Sc collisions at beam momenta of 13A, 19A, 30A, 40A, 75A and 150A Ge V /c. Energy and system size dependence of parameters of these distributions – mean transverse mass, the inverse slope parameter of transverse mass spectra, width of the rapidity distribution and mean multiplicity – are presented and discussed. Furthermore, the dependence of the ratio of the mean number of produced pions to the mean number of wounded nucleons on the collision energy was derived. The results are compared to predictions of several models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Diffusion-Limited Kinetics of Isovalent Cation Exchange in III–V Nanocrystals Dispersed in Molten Salt Reaction Media

The goal of this work is to determine the kinetic factors that govern isovalent cation exchange in III–V colloidal quantum dots using molten salts as the solvent and cation source. We focus on the reactions of InP + GaI 3 → In 1 – x Ga x P and InAs + GaI 3 → In 1–x Ga x As to create technologically important ternary III–V phases. We find that the molten salt reaction medium causes the transformation of nearly spherical InP nanocrystals to tetrahedron-shaped In 1–x Ga x P nanocrystals. Furthermore, we determine that the activation energy for the cation exchange reaction is 0.9 eV for incorporation of Ga into InP and 1.2 eV for incorporation of Ga into InAs, both much lower than the measured values in bulk semiconductors. Next, we use powder XRD simulations to constrain our understanding of the structure of the In 1–x Ga x P nanocrystals. Together our results reveal several important features of molten salt-mediated cation exchange and provide guidance for future development of these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Decoherence of $V^{–}_{B}$ spin defects in monoisotopic hexagonal boron nitride

Spin defects in hexagonal boron nitride (hBN) are promising quantum systems for the design of flexible two-dimensional quantum sensing platforms. Here we rely on hBN crystals isotopically enriched with either 10 B or 11 B to investigate the isotope-dependent properties of a spin defect featuring a broadband photoluminescence signal in the near infrared. By analyzing the hyperfine structure of the spin defect while changing the boron isotope, we first confirm that it corresponds to the negatively charged boron-vacancy center ($V^{–}_{B}$). We then show that its spin coherence properties are slightly improved in 10B-enriched samples. This is supported by numerical simulations employing cluster correlation expansion methods, which reveal the importance of the hyperfine Fermi contact term for calculating the coherence time of point defects in hBN. Using cross-relaxation spectroscopy, we finally identify dark electron spin impurities as an additional source of decoherence. This work provides new insights into the properties of $V^{–}_{B}$ spin defects, which are valuable for the future development of hBN-based quantum sensing foils.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗