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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High spatial resolution direct conversion amorphous selenium X-ray detectors with monolithically integrated CMOS readout

Recent progress in the field of micron-scale spatial resolution direct conversion X-ray detectors for high-energy synchrotron light sources serve applications ranging from nondestructive and noninvasive microscopy techniques which provide insight into the structure and morphology of crystals, to medical diagnostic measurement devices. Amorphous selenium ( a -Se) as a wide-bandgap thermally evaporated photoconductor exhibits ultra-low thermal generation rates for dark carriers and has been extensively used in X-ray medical imaging. Being an amorphous material, it can further be deposited over large areas at room temperatures and at substantially lower costs as compared to crystalline semiconductors. Here, to address the demands for a high-energy and high spatial resolution X-ray detector for synchrotron light source applications, we have thermally evaporated a -Se on a Mixed-Mode Pixel Array Detector (MM-PAD) Application Specific Integrated Circuit (ASIC). The ASIC format consists of 128 × 128 square pixels each 150 μm on a side. A 200 μm a -Se layer was directly deposited on the ASIC followed by a metal top electrode. The completed detector assembly was tested with 45 kV Ag and 23 kV Cu X-ray tube sources. The detector fabrication, performances, Modulation Transfer Function (MTF) measurements, and simulations are reported.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evidence for anti-synergism between ion-assisted etching and in-plasma photoassisted etching of silicon in a high-density chlorine plasma

Etching of p-Si in 60 mTorr 10%Cl2/90%Ar Faraday-shielded inductively coupled high density plasmas was investigated under both ionassisted etching (IAE) and photoassisted etching (PAE) conditions. Real-time etching rates and after-etching Si surface chemical compositions were obtained by laser interferometry and vacuum-transfer x-ray photoelectron spectroscopy (XPS), respectively. Precisely controlled ion energy distributions (IEDs) were generated by applying pulsed negative DC bias on the conductive sample stage. Above a 36 eV threshold at a total flow rate of 250 SCCM, the IAE rate increased with the square root of the ion energy. In contrast to the DC bias, etching under RF bias did not exhibit a threshold ion energy because of the wide IED. XPS spectra revealed that the surface layer under PAE conditions had a significantly lower chlorine content, composed of only SiCl. Under IAE conditions, however, silicon dangling bonds (Si•), SiCl 2 , and SiCl 3 were found on the surface, in addition to SiCl, with a relative abundance of SiCl > SiCl 2 , and SiCl 3 . The absence of higher chlorides and Si• under PAE conditions suggested that vacuum ultraviolet photons and above threshold-energy ions interact with the surface very differently. By varying the duty cycle of the pulsed DC bias, it was found that the IAE rate scaled with the energetic ion dose, but only for low duty cycles. For higher duty cycles, the apparent IAE yield fell off with an increasing Cl coverage on the surface, as the duty cycle went up, which pointed to a negative synergy (antisynergism) between PAE and IAE as the explanation. This antisynergism was further supported by the observed decrease of the total etching rate with an increasing period of the pulsed DC bias. A plausible mechanism is that increasing the pulsing period causes more near-surface damage, creating more recombination centers that lead to a higher loss rate of electron-hole pairs through recombination, thereby reducing the PAE rate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Electron dynamics in extended systems within real-time time-dependent density-functional theory

Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density-functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent implementations around this approach, in particular in the context of complex, extended systems. Results include an analysis of the computational cost associated with numerical propagation and when using absorbing boundary conditions. Here we extensively explore the shortcomings for describing electron–electron scattering in real time and compare to many-body perturbation theory. Modern improvements of the description of exchange and correlation are reviewed. In this work, we specifically focus on the Qb@ll code, which we have mainly used for these types of simulations over the last years, and we conclude by pointing to further progress needed going forward.

2D materials↗
DOE OSTI2020

Radioactive Material Dynamics @ NSLS-II [Slides]

RMD @ NSLS-II helps pave the path to a DMMSC: Developing expertise in techniques and experimental methods for DMMSC science; Improving capabilities for models to become microstructurally aware; Workforce training and development; Help refine DMMSC scientific requirements; Complementary to DMMSC XFEL science (EDXD/EXAFS)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Re-Release of the ENDF/B VIII.0 S(α,β) Data Processed by NJOY2016

“ENDF/B-VIII.0 provides a major update to the ENDF thermal scattering library. Indeed, it is nearly a completely new sub-library. Only the legacy evaluations for Al, Fe, liquid and solid methane, ortho- and para- hydrogen and deuterium and benzene and the ENDF/B-VII.1 evaluations for SiO2 are unchanged.” Thirty-four (34) materials are provided in ENDF/B-VIII.0 with a total of two hundred and fifty-three (253) evaluations. LEAPR input files are also included for each of the materials as well as “readme” files for most of the materials. All of these 34 thermal scattering files have been re-processed with NJOY2016 (version 53) to produce 253 ACE files suitable for use in MCNP or other similar codes. Table 1 lists the 34 materials which are included in the ENDF/B-VIII.0 thermal scattering library and also notes where major changes have occurred in the re-release.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Physical Sciences Vistas (Issue 2 2021) [Newsletter]

I am pleased to introduce the second 2021 issue of Physical Sciences Vistas, with a focus on “excellence in mission-focused science, technology, and engineering.” Excellence in mission-focused ST&E within the Physical Sciences Directorate (ALDPS) spans a broad spectrum of accomplishments in nuclear physics and materials science that sustains and enhances LANL’s science base.

36 MATERIALS SCIENCE↗
DOE OSTI2021

IVEM Contributions to CINR Penn State MT17-12797: In situ Ion Irradiation to Add Irradiation Assisted Grain Growth to the MARMOT Tool

In-situ TEM experiments were performed at the IVEM-Tandem Facility in Argonne National Laboratory to study the irradiation-induced grain growth of nanocrystalline UO 2 and CeO 2 thin films using 1 MeV Kr ions at various temperatures from 50K to 1073K. The grain growth kinetics was studied under both irradiation and thermal annealing conditions. Bright field and dark field TEM images and diffraction patterns were systematically recorded as a function of temperature, irradiation dose and annealing time. A comprehensive grain growth data of UO 2 was collected for further analysis and for the implementation to the MARMOT tool.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nonproliferation and Arms Control Research and Development (NPAC R&D) [Slides]

NPAC R&D focus areas include: Advancing U.S. capabilities to detect and characterize nuclear weapon development activities globally, including material production, the movement of special nuclear materials and nuclear weapons, and the testing or use of nuclear weapons, Supporting the development and testing of policy options and technical capabilities for international nuclear safeguards, arms control / treaty verification, nuclear export controls, and nonproliferation initiatives consistent with U.S. Government goals and objectives to enable monitoring and verification, Utilizing uranium, lithium, and high explosives (HE) materials expertise to support national-level activities in nuclear forensics and nuclear detection technology testing and evaluation, Providing unique training and capacity-building programs, particularly with the Nuclear Detection and Sensor Testing Center (NDSTC), and Engaging internationally to promote nonproliferation and arms control norms and best practices through bilateral and multilateral work.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Irradiated stainless steel 347 and irradiated, welded, and hydrogen charged Zircaloy-4 property data for the target solution vessel and support lines of SHINE

In support of the reactor-vessel development effort of SHINE medical technologies, irradiation of its structural materials and post-irradiation testing have been performed in the High Flux Isotope Reactor at Oak Ridge National Laboratory. This irradiation was performed on welded and unwelded AISI 347 steel and Zircaloy-4 samples at low temperature (~60°C) in contact with the reactor coolant. Hardness, Charpy, and tensile data have been taken from all cases of unirradiated specimens, while post-irradiation tensile and hardness data have been taken from AISI 347 base metal and Zircaloy-4 base metal and weld specimens so far. Additionally, 3-point bend data have been taken from explosion-welded specimens. The expected changes to hardness, yield strength, ultimate tensile strength, uniform elongation, and total elongation as a result of the low temperature and low dose neutron irradiation are reported here.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Report summarizing demonstration of thermal conductivity measurement methods for coated zirconium cladding

Thermal diffusivity measurements on Zirconium-based cladding materials have historically been a challenge due to the difficulty to measure on specimens with curved geometries, including nuclear grade Zircaloy cladding materials. In this work, we first used Laser Flash Analysis methods to measure the thermal diffusivity of Zircaloy tubes, which show good agreement with Zircaloy plates in this work, as well as previously published data. The consistent results proved the applicability of the Laser Flash Analysis setup for investigating thermal diffusivity of Zircaloy tubes. We further investigate the hydrogen effect on thermal diffusivity of Zircaloy tubes. Hydrogen plays significant roles in temperature dependent thermal diffusivity trends of Zircaloy tube. For low hydrogen concentration, where hydride dissolved into single phase α-Zr at higher temperature, thermal diffusivity is relatively unchanged at low temperature at two phase regions (α-Zr and δ-hydride), and it increases as a function of temperature at single phase α-Zr region. For high hydrogen concentration, where phase transformation (α-Zr + δ-hydride → α-Zr + β-Zr) occurs at 567 °C, thermal diffusivity decreases as a function of temperature below 567 °C before the transformation (α-Zr and δ-hydride), while increase at higher temperature after the transformation (α-Zr and β-Zr).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Benchmark Exercise for the Control Rod Swelling Evaluation

The VTR core has six reactivity control assemblies and three safety assemblies. The control assemblies or primary control rods are adjusted during the normal operation to balance the core reactivity and to control the reactor power. A typical control assembly radial layout is presented in Figure 1. The figure shows the swelled absorber (B 4 C) rod. Initially, helium gas fills the gap between the pin and the cladding before irradiation swelling takes place. For VTR, HT9 steel was selected as the cladding and duct material. The main neutron absorbing material used in the VTR is B 4 C. When residing in the core, the neutronics, thermophysical, and mechanical properties of the materials used in a control assembly will degrade due to accumulated neutron damage. Material degradation limits how long a control assembly can reside in the core. Many phenomena affect the control assembly lifetime, such as the loss of reactivity worth due to B 4 C depletion, the mechanical interaction of the absorber rod and the cladding due to B 4 C swelling, the helium gas buildup in the pin due to B-10 capture, etc. B 4 C swelling, which causes closure of the gap between the absorber rod and the cladding, is usually considered as the main limiting factor from past experience. An initial study was conducted at PNNL to evaluate the irradiation behavior of a VTR control assembly. The evaluation was performed using the CNRD2 code that was initially developed for the FFTF. The study also included an assessment of the VTR control assembly and focused on a 61-pin control assembly design, which is different from that used (37-pin design) in the core design study. The study conducted by PNNL was reviewed independently by ANL. A Python script referred to as the Control Assembly Evaluation Script (CAES) was developed for the independent review and additional assessment of 37-pin control assembly design. The script has focused on the assessment of the absorber rod swelling for its importance in determining the control assembly lifetime. CAES uses geometry, neutronics, materials data as input to predict the swelling of the absorber rod during its residence in the reactor core. The results from CAES showed some non-negligible differences against the PNNL results. Some of the differences can be attributed to the different interpretation of the control rod assembly dimensions. To resolve this issue, a benchmark exercise was proposed. The benchmark specification was developed by PNNL. The benchmark exercise was performed independently at PNNL and ANL using different codes/scripts (CRND2 and CAES). This memo documents the results calculated using the different codes. However, this report is limited to presenting the results obtained. Further investigation of the cause of the observed difference will be performed as part of future activities, pending continuation of the VTR program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Neutron Interferometric methods and quantum sensing

Advances in material science and engineering make it possible to access artificial materials or ‘metamaterial’ properties and structures on the length scale comparable to the wavelength of ultracold neutrons ~ 100 nm. Strong neutron scattering effects such as Anderson localization, resonance scattering may be studied in the laboratory according to our recent theoretical studies. UCN interferometry and high-resolution spectroscopy (sub-pico-electronvolt resolution) in neutronic metamaterials are examples of new experimental possibilities that can probe quantum gravitational states of neutrons, and quantum sensing based on ultracold neutrons.

36 MATERIALS SCIENCE↗