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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Measuring recoiling nucleons from the nucleus with the future Electron Ion Collider

Short range correlated nucleon-nucleon (NN) pairs are an important part of the nuclear ground state. They are typically studied by scattering an electron from one nucleon in the pair and detecting its spectator correlated partner (spectator-nucleon tagging). The Electron Ion Collider (EIC)should be able to detect these nucleons, since they are boosted to high momentum in the lab frame by the momentum of the ion beam. To determine the feasibility of these studies with the planned EIC detector configuration, we have simulated quasi-elastic scattering for two electron and ion beam energy configurations: 5 GeV electrons and 41 GeV/A ions, and 10 GeV electrons and 110 GeV/A ions. We show that the knocked-out and recoiling nucleons can be detected over a wide range of initial nucleon momenta. We also show that these measurements can achieve much larger momentum transfers than current fixed target experiments. By detecting both low and high initial-momentum nucleons,the EIC will provide the data that should allow scientists to definitively show if the EMC effect and short-range correlation are connected, and to improve our understanding of color transparency

Hauenstein, F. (ORCID:0000000212652212)↗
DOE OSTI2019

Defect chemistry of Eu dopants in NaI scintillators studied by atomically resolved force microscopy

Activator impurities and their distribution in the host lattice play a key role in scintillation phenomena. In this work a combination of cross-sectional noncontact atomic force microscopy, x-ray photoelectron spectroscopy, and density-functional theory were used to study the distribution of Eu 2+ dopants in a NaI scintillator activated by 3% EuI 2 . A variety of Eu-based structures were determined in crystals subjected to different postgrowth treatments. Transparent crystals with good scintillation properties contained mainly small precipitates with a cubic crystal structure and a size below 4 nm. Upon annealing, Eu segregated toward the surface, resulting in the formation of an ordered hexagonal overlayer with a EuI 2 composition and a pronounced, unidirectional moiré pattern. Crystals with poor optical transparency showed a significant degree of mosaicity and the presence of precipitates. All observed crystals contained a very low concentration of Eu dopants present as isolated point defects; most of the europium was incorporated in larger structures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Transition metal elements as donor dopants in CdO

CdO has been shown to achieve a high electron concentration N (> 10 21 cm -3 ) and at the same time a high mobility μ (> 100cm 2 /V s) when doped with conventional shallow dopants (In or Ga), and consequently making it a transparent conducting oxide with very low resistivity ρ <10 -4 $\Omega$ cm. In this work, the properties of CdO thin films doped with a series of transition metal elements (CdO:TM) with partially filled 3d and 4d shells, including Sc, Ti, V, Cr, Fe, Y, Mo, and W, were investigated. We find that doping with these TM elements can effectively increase the N in CdO to a maximum N (N max ) of ~(7-12)×10 20 cm -3 with a dopant concentration x max of 4-7 %. However, unlike CdO:In, the μ of CdO:TM films drops rapidly from > 100 to < 10cm 2 /Vs as the dopant concentration x increases, so that they can only achieve a minimum ρ of ~ (1-2) × 10 -4 $\Omega$ cm, ~ a factor of 2-3 higher than that in CdO:In. As a result, free-carrier absorption and plasma reflection effects limit their optical transparency to <1200 nm. For most 3d TM dopants, a qualitatively higher d-donor level E d,donor gives rise to higher E F,max or a higher N max . Although at low x, the optical band gap E opt of CdO:TM follows the calculated values due to free-carrier effects, as x increases, E opt values are significantly higher than the calculated values. This is believed to be an effect of the anticrossing interaction of the localized d-levels and the extended CdO conduction-band (CB) states, giving rise to a lower occupied E - and an upper unoccupied E + subband. In conclusion, the restructured CBs have much flatter dispersion, which also results in a much higher effective mass $m^{\star}_{e}$, hence it can also explain the much lower μ of CdO:TM films with high N.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Towards an Open (Data) Science Analytics-Hub for Reproducible Multi-Model Climate Analysis at Scale

Open Science is key to future scientific research and promotes a deep transformation in the whole scientific research process encouraging the adoption of transparent and collaborative scientific approaches aimed at knowledge sharing. Open Science is increasingly gaining attention in the current and future research agenda worldwide. To effectively address Open Science goals, besides Open Access to results and data, it is also paramount to provide tools or environments to support the whole research process, in particular the design, execution and sharing of transparent and reproducible experiments, including data provenance (or lineage) tracking. This work introduces the Climate Analytics-Hub, a new component on top of the Earth System Grid Federation (ESGF), which joins big data approaches and parallel computing paradigms to provide an Open Science environment for reproducible multi-model climate change data analytics experiments at scale. An operational implementation has been set up at the SuperComputing Centre of the Euro- Mediterranean Center on Climate Change, with the main goal of becoming a reference Open Science hub in the climate community regarding the multi-model analysis based on the Coupled Model Intercomparison Project (CMIP).

analytics-hub↗
DOE OSTI2025

JACC.shared: Leveraging HPC Metaprogramming and Performance Portability for Computations That Use Shared Memory GPUs

In this work, we present JACC.shared, a new feature of Julia for ACCelerators (JACC), which is the performanceportable and metaprogramming model of the just-in-time and LLVM-based Julia language. This new feature allows JACC applications to leverage the high-performance computing (HPC) capabilities of high-bandwidth, on-chip GPU memory. Historically, exploiting high-bandwidth, shared-memory GPUs has not been a priority for high-level programming solutions. JACC.shared covers that gap for the first time, thereby providing a highlevel, portable, and easy-to-use solution for programmers to exploit this memory and supporting all current major accelerator architectures. Well-known HPC and AI workloads, such as multi/hyperspectral imaging and AI convolutions, have been used to evaluate JACC.shared on two exascale GPU architectures hosted by some of the most powerful US Department of Energy supercomputers: Perlmutter (NVIDIA A100) and Frontier (AMD MI250X). The performance evaluation reports speedup of up to 3.5× by adding only one line of code to the base codes, thus providing important accelerators in a simple, portable, and transparent way and elevating the programming productivity and performance-portability capabilities for Julia/JACC HPC, AI, and scientific applications.

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗
DOE OSTI2019

Tailoring MgZnO/CdSeTe Interfaces for Photovoltaics

Mg x Zn 1-x O (MZO) shows great promise to replace CdS as a buffer layer in CdTe-based solar cells. It is more transparent, and the MZO bandgap and electron density can be tuned, thus providing flexibility in controlling the conduction band offsets and recombination rates between transparent conductive oxide/MZO and MZO/CdSeTe interfaces. Integrating this material into solar cell devices has been frustrated by the common observation of abnormal current-voltage curves. Simulations indicate that this anomalous behavior can be attributed to front interface barrier effects. Experiments demonstrate that this common MZO interface problem can be resolved experimentally by surface preparation, preheat steps, and removing oxygen during absorber deposition and CdCl 2 treatment. Oxygen during the cell fabrication process is likely to alter MZO properties and MZO/CdSeTe band alignment. After addressing these interface issues and modest optimization, devices with high short-circuit density of 29 mA/cm 2 and efficiency above 16% are demonstrated.

14 SOLAR ENERGY↗
DOE OSTI2021

Reproducibility Practice in High-Performance Computing: Community Survey Results

The integrity of science and engineering research is grounded in assumptions of rigor and transparency on the part of those engaging in such research. HPC community effort to strengthen rigor and transparency take the form of reproducibility efforts. In a recent survey of the SC conference community, we collected information about the SC Reproducibility Initiative activities. Here, we present the survey results in this paper. Results show that the reproducibility initiative activities have contributed to higher levels of awareness on the part of SC conference technical program participants, and hint at contributing to greater scientific impact for the published papers of the SC conference series. Stringent point-of-manuscript-submission verification is problematic for reasons we point out, as are inherent difficulties of computational reproducibility in HPC. Future efforts should better decouple the community educational goals from goals that specifically strengthen a research work's potential for long-term impact through reuse 5-10 years down the road.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Decoupling Thin Film CdTe Growth from Packaging: Toward Record Specific Power in Low Cost Polycrystalline PV

There are critical material and scientific barriers to producing high efficiency, flexible, lightweight solar cells that maximize specific power in a cost-effective manner. III-V solar cells have produced the highest specific power of any photovoltaic technology due to their extremely high efficiency, however, they are also among the most expensive to produce. This work explores a novel lift-off approach with thin-film solar cells, particularly CdTe, to achieve high specific power at low costs. Thin-film devices can be delaminated from their heavy, glass growth substrates post-growth by exploiting a mismatch in coefficient of thermal expansion between the two. This allows thin-film PV to be decoupled from high temperature growth requirements and repackaged using lightweight materials. In this work we evaluate different materials and approaches for achieving large area delamination of CdTe films from their glass superstrates. It is found that epoxy bonded to a rigid handle provides robust and reproducible delamination at the TCO/CdS interface upon submersion in liquid nitrogen. Following delamination, a transparent front contact is re-deposited and selectively etched to expose the back contact to produce a functioning device. Effects of delamination and contributions to device functionality from CdCl 2 and CdS layers are discussed. Reproducible delamination of high efficiency, thin-film solar cells over large areas will enable work to further improve device efficiency through passivation and reconstruction of the previously buried interface between the transparent contact and CdS.

14 SOLAR ENERGY↗
DOE OSTI2018

Survey of Mechanical Durability of PV Backsheets

The ability to maintain mechanical properties after applied environmental stress is a good indicator for long term durability of a backsheet. This work surveys a set of 56 backsheet films, some of which are known to fail in the field and evaluates them utilizing the proposed photovoltaic weathering standard IEC 62788-7-2. While the complete study examined optical reflectance characterization, tensile testing, dielectric testing, and a mandrel bend test, this paper focuses on the mandrel bend test results. All seven of the transparent specimens failed. A polyamide based backsheet known to fail in the field did not fail the bend test. It is believed that the field failure is due to an interaction with the encapsulant and/or the cyclic mechanical exposure experienced in the field. When cracks occur, they happen predominantly in the polyethylene terephthalate for transparent backshees or the 'E' layer for opaque films, never in a fluoropolymer layer.

14 SOLAR ENERGY↗
DOE OSTI2020

A far‐red‐emitting (Gd,Y) 3 (Ga,Al) 5 O 12 :Mn 2+ ceramic phosphor with enhanced thermal stability for plant cultivation

Abstract As for plants, far‐red (FR) light with wavelength from 700 nm to 740 nm is critical for processes of photosynthesis and photomorphogenesis. Light‐controlled development depends on light to control cell differentiation, structural and functional changes, and finally converge into the formation of tissues and organs. Phosphor converted FR emission under LED excitation is a cost‐effective and high‐efficient way to provide artificial FR light source. With the aim to develop an efficient FR phosphor that can promote the plant growth, a series of gadolinium yttrium gallium garnet (GYGAG) transparent ceramic phosphors co‐doped with Mn 2+ and Si 4+ have been fabricated via chemical co‐precipitation method, followed sintered in O 2 and hot isostatic pressing in this work. Under UV excitation, the phosphor exhibited two bright and broadband red emission spectra due to Mn 2+ : 4 T 1 → 6 A 1 spin‐forbidden transition, and one of which located in the right FR region. And then, Ce 3+ ions were co‐doped as the activator to enhance the absorption at blue light region and the emission of Mn 2+ . It turns out that the emission band of GYGAG transparent ceramic phosphors matches well with the absorption band of phytochrome P FR , which means they are promising to be applied in plant cultivation light‐emitting diodes (LEDs) for modulating plant growth. Besides, the thermal stability of this material was investigated systematically, and an energy transferring model involves defects was also proposed to explain the phenomenon of abnormal temperature quenching.

Qiu, Xuting↗
DOE OSTI2022

Fabrication of ultrathin suspended membranes from atomic layer deposition films

In this report, ultrathin films suspended as freestanding membranes are critical to many microelectronic and materials science applications. However, fabrication methods are currently limited in either their flexibility, due to material selectivity issues during the final membrane release, or their scalability. Here, we demonstrate a novel fabrication process for suspending ultrathin films with thicknesses as low as 4 nm and lateral dimensions up to 20 x 1000 μm from a variety of materials grown by atomic layer deposition. A silicon nitride membrane serves as the support for a sacrificial polymer layer and an ultrathin atomic layer deposition film which, after plasma etching, will form the membrane. The high chemical selectivity between atomic layer deposition-grown transition metal nitrides and oxides and the sacrificial polymer means that ultrathin films of a variety of materials can be released without damage using a single process. Electrically conductive titanium nitride membranes can be produced by this method and are of significant interest for electron microscopy applications. Electron transparency of titanium nitride membranes was found to be ~14% higher than silicon nitride of the same thickness, and of similar conductivity to graphite, meaning that ultrathin, conductive, and electron transparent membranes can be fabricated at scale. These membranes are ideal supports for electron and photon characterization techniques, as well as microelectromechanical system applications that require a conductive membrane.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Momentum Dependence of Near-Threshold J/ψ Photoproduction off Nuclei

The photoproduction of J/ψ mesons off nuclei at the energies of 8 and 11 GeV, which are close to the threshold for their production on a free nucleon, is considered on the basis of the first-collisionmodel relying on the nuclear spectral function and including incoherent processes of charmonium production in photon–nucleon collisions. The model takes into account the absorption of final J/ψ mesons, the binding of target nucleons, and their Fermi motion, as well as the effect of the scalar J/ψ–nucleus potential (or the inmedium shift of the J/ψ-meson mass) on these processes. Under various assumptions on the magnitude of this shift, the momentum dependences of various observables, such as the relative transparency of carbon and gold nuclei and the J/ψ-meson yields, are calculated for meson production on these nuclei. The observables in question include the relative transparencies of these nuclei to J/ψ mesons and the absolute and relativemeson yields from them. It is shown that, at the energy of 11 GeV, which is above the threshold, the first observable is virtually independent of the in-medium change in the J/ψ-meson mass. At the same time, it is moderately sensitive to this change at the subthreshold energy of 8 GeV. On the other hand, it is shown that, at these photon energies, the absolute and relative values of the differential cross sections, especially for the the heavy nucleus of {sup 197} Au, in the momentum range of 4–6 GeV/с are highly sensitive to the in-medium change in the J/ψ-meson mass. Therefore, the present calculations can be used to determine the unknown shift of the J/ψ-meson mass in nuclei by means of comparing their results with data expected from experiments in Hall C at the Continuous Electron Beam Accelerator Facility (CEBAF, USA) upgraded to the energy of 12 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Study of the Effective Refractive Index Profile in Self-Assembling Nanostructured ITO Films

The optical characteristics and structural features of self-assembling nanostructured indium–tin oxide (ITO) films deposited onto substrates heated above 400°C are studied. Estimations of the distribution profiles of the material and effective refractive index in the films under study are obtained by computer simulation of a medium having spectral dependences of light transmission and reflection coefficients closest to those observed in the experiment. These results are in good agreement with scanning electron microscopy data for these films and make it possible to not only confirm the gradient character of such coatings but also restore some of its features. The further overgrowth of voids in self-assembling nanostructured films by means of the deposition of an additional material amount by magnetron sputtering at room temperature leads to a variation in the effective refractive index profile in them. Thus, it is possible to form transparent conductive films with an efficient refractive index profile adjusted for specific tasks. Adjustment of the refractive index profile in self-assembled ITO films acquires a special value for designing coatings with specified properties by virtue of a limited set of transparent conductive materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nanostructured ITO/SiO{sub 2} Coatings

The influence of a SiO{sub 2} layer deposited onto nanostructured transparent conductive films of indium and tin oxide (ITO) on their optical characteristics is investigated. For this purpose, SiO{sub 2} films of various thicknesses are deposited by magnetron sputtering on samples with ITO films containing whiskers of preferentially vertical orientation and possessing steadily decreasing reflectance. It is shown that this makes it possible to attain noticeable coating antireflection under the condition of the uniform overgrowth of ITO whiskers by the SiO{sub 2} layer. The influence of the SiO{sub 2} layer on the optical characteristics of a dense unstructured ITO film is also investigated. The results for structured and unstructured ITO/SiO{sub 2} coatings with identical material mass contents are compared. It is noted that due to the liability of ITO material to degradation during operation in the composition of transparent conductive contacts, the results can also be interesting for the formation of coatings more resistant to the effect of the environment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The Spall Strength and Dynamic Yield Stress of Hafnium

The spall strength and dynamic yield stress of polycrystalline hafnium have been measured in a series of plane-wave shock loading experiments using flat sample–transparent window composite targets, with the transparent windows representing polymethyl methacrylate or lithium fluoride plates arranged on the rear side of a hafnium sample. The front side of the target was subjected to shock impact of a copper striker, the rear surface velocity was measured, and the sample was recovered for subsequent metallographic examination. The results were also used for evaluation of the accuracy of spall strength measurements and the analysis of features of high-rate deformation of hafnium.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Scalable Incremental Checkpointing using GPU-Accelerated De-Duplication

Writing large amounts of data concurrently to stable storage is a typical I/O pattern of many HPC workflows. This pattern introduces high I/O overheads and results in increased storage space utilization especially for workflows that need to capture the evolution of data structures with high frequency as checkpoints. In this context, many applications, such as graph pattern matching, perform sparse updates to large data structures between checkpoints. For these applications, incremental checkpointing techniques that save only the differences from one checkpoint to another can dramatically reduce the checkpoint sizes, I/O bottlenecks, and storage space utilization. However, such techniques are not without challenges: it is non-trivial to transparently determine what data has changed since a previous checkpoint and assemble the differences in a compact fashion that does not result in excessive metadata. State-of-art data reduction techniques (e.g., compression and de-duplication) have significant limitations when applied to modern HPC applications that leverage GPUs: slow at detecting the differences, generate a large amount of metadata to keep track of the differences, and ignore crucial spatiotemporal checkpoint data redundancy. This paper addresses these challenges by proposing a Merkle tree-based incremental checkpointing method to exploit GPUs' high memory bandwidth and massive parallelism. Experimental results at scale show a significant reduction of the I/O overhead and space utilization of checkpointing compared with state-of-the-art incremental checkpointing and compression techniques.

Tan, Nigel↗
DOE OSTI2025

Extending SEER for Extreme Heterogeneity

Heterogeneous and multi-device nodes are increasingly common in high-performance computing and data centers, yet existing programming models often lack simple, transparent, and portable support for these diverse architectures. The main contribution of this work is the development of novel SEER capabilities to address this challenge by providing a descriptive programming model that allows applications to seamlessly leverage heterogeneous nodes across various device types. SEER uses efficient memory management and can select the proper device[s] depending on the computational cost of the applications. This is completely transparent to the programmer, thereby providing a highly productive programming environment. Integrating extreme heterogeneity into the SEER library as shown with the use of NVIDIA and AMD GPUs simultaneously allows it to expand and exploit the performance possibilities. Our analysis based on the well-known Conjugate Gradient algorithm reports accelerations above 1.5 × on computationally demanding steps of such an algorithm by using both architectures simultaneously.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗
DOE OSTI2022

Free Energy Dependencies for Interfacial Electron Transfer from Tin-Doped Indium Oxide (ITO) to Molecular Photoredox Catalysts

John B. Goodenough proposed that interfacial electron transfer kinetics from main group metal oxides should be fundamentally different from that of transition metal oxides, an expectation that has not been widely tested. Herein, the kinetics for interfacial electron transfer from mesoporous transparent conductive oxide Tin-doped Indium Oxide (ITO) to four photoredox catalysts (PCs) were characterized in acetonitrile electrolytes. The photocatalysts had the form: [Ru(4,4ʹ-R 2 -2,2′-bipyridine) 2 (4,4ʹ-(PO 3 H 2 ) 2 -2,2′-bipyridine)] 2+ , where R was H, methoxy, tert -butyl, and Br. The impact of the surface binding group was characterized with [Ru(2,2′-bipyridine) 2 (4,4ʹ-(CO 2 H) 2 -bpy)] 2+ . The interfacial electron transfer reaction ITO(e − )∣PC + → ITO∣PC was quantified by nanosecond absorption spectroscopy as a function of the applied potential (and hence ‒Δ G °). Specific conditions of applied potential were identified where the kinetics were sensitive to the incident irradiance. A layer-by-layer method was used to insert ionic methylene bridge(s) between the PC and the oxide surface. Marcus-Gerischer analysis of the kinetic data indicates non-adiabatic interfacial electron transfer with total reorganization energies that increase when bridges were placed between the photocatalyst and the ITO surface.

Bangle, Rachel E.↗