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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Mortar-based Cohesive Zone Model with Application to TRISO Particle Debonding

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This report outlines work towards the development of an integrated, mortar-based cohesive zone framework with mechanical contact. We model debonding of tri-structural isotropic (TRISO) layers using a mortar approach, extending the framework used for mechanical contact, using weighted quantities. A bilinear mixed mode traction approach, already used in Jiang et al. (2021), is applied analogously herein to model debonding between TRISO particle layers. The examples include the debonding of the inner pyrolytic carbon (IPyC) from the silicon carbide (SiC) layers, as well as partial and full debonding of the buffer from the IPyC layers. Both 2D and 3D examples are utilized to demonstrate the superior numerical performance of the new mortar approach, which allows for modeling arbitrarily meshed interfaces (i.e., non-matching discretizations).

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

High-density InAs/GaAs{sub 1−x}Sb{sub x} quantum-dot structures grown by molecular beam epitaxy for use in intermediate band solar cells

InAs quantum-dot structures were grown using a GaAs{sub 1−x}Sb{sub x} matrix on a GaAs(001) substrate. The use of GaAs{sub 1−x}Sb{sub x} for the buffer and cap layers effectively suppressed coalescence between dots and significantly increased the dot density. The highest density (∼3.5 × 10{sup 11}/cm{sup 2}) was obtained for a nominal 3.0 monolayer deposition of InAs with an Sb composition of x = 13–14% in the GaAs{sub 1−x}Sb{sub x} matrix. When the Sb composition was increased to 18%, the resulting large photoluminescent red shift (∼90 meV) indicated the release of compressive strain inside the quantum dots. For x > 13%, we observed a significant decrease in photoluminescence intensity and an increase in the carrier lifetime (≥4.0 ns). This is attributed to the type-II band alignment between the quantum dots and matrix material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

DECOVALEX-2023: Task D Final Report

Task D of DECOVALEX-2023 is focused on the simulation of the coupled thermal hydraulic-mechanical (THM) behaviour in the full-scale engineered barrier system (EBS). The Horonobe EBS experiment is the demonstration of the full-scale EBS in the underground research laboratory (URL) (performed by JAEA in the Horonobe URL in Japan). Task D consisted of the three steps, a preliminary step (Step 0), simulation of the laboratory tests (Step 1) and simulation of the in-situ full-scale EBS experiment (Step 2). Since the Horonobe EBS experiment demonstrates the vertical emplacement option of the EBS, the experiment gallery is also backfilled with the backfill material. Therefore, interaction between the EBS and the backfill material can also be demonstrated, such as deformation (change of density) of the buffer material. The underground water in the Horonobe URL is saline. This fact adds chemical processes to THM behaviour. For example, mechanical properties (such as swelling pressure of the buffer material and backfill material) and hydraulic properties (such as permeability of the buffer material and backfill material) change depending on the water chemistry. Task D was therefore a challenging Task focused on not only the relatively simple THM behaviour but also complex THM behaviour including chemical processes. Six research teams (BGR, CAS, JAEA, KAERI, SNL and Taipower) participated the Task D. BGR, CAS, JAEA, KAERI and Taipower research teams selected a THM approach, while the SNL research team selected a TH approach. Step 1 involved the simulation of laboratory test results and was important to check the numerical codes developed by the research teams. Step 1 was divided into four sub steps. The simulation results through the Step 1 identified the parameters for simulation of the Step 2. Basic parameters of the materials (buffer material, backfill material, rock mass, concrete, sand) were provided by JAEA. Special parameters which research team needed were identified by back analysis of Step 1. Most notably the mechanical behaviour of swelling and displacement depended on the applied model (elastic model or elastoplastic model). Parameters such as Young’s modulus were found to need smaller values than characterised in the fundamental laboratory test results (Step 1-1, 1-2) for the elastic model. Although laboratory experiments are usually simple, test results contained some error. For example, if the saturation level is 100 % or higher, it should be considered an error. This situation was presented in the Step 1-3. A possible reason is that the buffer material is a mixture of bentonite and silica sand. When a specimen is cut to measure volume or weight, sand grains will affect the measurement data. In Step 2, boundary conditions such as temperature on the surface of the simulated overpack, heater power of the electrical heaters installed in the simulated overpack, injection pressure and inflow rate of the test water, were applied. The outer boundary conditions can be selected using measured data (injection pressure and inflow rate of the test water that is controlled by the injection systems installed in the sand layer around the buffer material and in the boundary between backfill material and concrete support). Since such measured data has some noise, research teams developed their own simplified boundary conditions. Inner boundary conditions can be selected using measured data as heater power and temperature on the surface of the simulated overpack. These data also contain some noise, so research teams developed their own simplified developed boundary conditions. Task D validated various approaches thorough the simulation of the in-situ full scale EBS system including backfill of the gallery: variations in the coupling processes (THM or THC), analysis codes, and boundary conditions. Temperature distribution in the buffer material was simulated well by all research teams. This means thermal behaviour is not sensitive to the simulation approaches. Although the water content distribution on the outside of the buffer material was well simulated by all research teams, the simulation results differ from the measured values inside the buffer material (at the centre and inside, near the simulated overpack). The buffer material is made from tap water, but in the in-situ experiment, saline groundwater infiltrates the buffer material. Therefore, the selection of the hydraulic parameters of the buffer material greatly affects the simulation results of the re saturation behaviour of the buffer material. In the Horonobe EBS experiment, measured values suitable for validating the simulation results were not obtained near the simulated overpack. When simulating the pressure and deformation of the buffer material, the measurement data is easily affected by the installation conditions of the measurement sensors, so verifying the measurement data itself remains an issue. Mechanical simulation results differ depending on whether they are considered as elastic or elastoplastic phenomena. The accuracy of measured in-situ data can be assessed by detailed analysis comparing sampling specimen analysis and measured data. The Horonobe EBS experiment is scheduled to be dismantled in the future (FY2026 and 2027). This detailed dismantling investigation will finally confirm the measured data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Characterization of carrier transport properties in strained crystalline Si wall-like structures in the quasi-quantum regime

We report the transport characteristics of both electrons and holes through narrow constricted crystalline Si “wall-like” long-channels that were surrounded by a thermally grown SiO{sub 2} layer. The strained buffering depth inside the Si region (due to Si/SiO{sub 2} interfacial lattice mismatch) is where scattering is seen to enhance some modes of the carrier-lattice interaction, while suppressing others, thereby changing the relative value of the effective masses of both electrons and holes, as compared to bulk Si. In the narrowest wall devices, a considerable increase in conductivity was observed as a result of higher carrier mobilities due to lateral constriction and strain. The strain effects, which include the reversal splitting of light- and heavy-hole bands as well as the decrease of conduction-band effective mass by reduced Si bandgap energy, are formulated in our microscopic model for explaining the experimentally observed enhancements in both conduction- and valence-band mobilities with reduced Si wall thickness. Also, the enhancements of the valence-band and conduction-band mobilities are found to be associated with different aspects of theoretical model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Back contact layer for photovoltaic cells

A photovoltaic cell structure is disclosed that includes a back contact layer that includes single wall carbon nanotube elements. The single wall carbon nanotube (SWNT) back contact is in electrical communication with an adjacent semiconductor layer and provides a buffer characteristic that impedes elemental metal migration from the back contact into the semiconductor active layers. In one embodiment, the SWNT back contact includes a semiconductor characteristic and a buffer characteristic. In another embodiment, the SWNT back contact further includes a metallic characteristic.

14 SOLAR ENERGY↗
DOE OSTI2023

Armor for Steel: Facile Synthesis of Hexagonal Boron Nitride Films on Various Substrates

Abstract While hexagonal boron nitride (hBN) has been widely used as a buffer or encapsulation layer for emerging electronic devices, interest in utilizing it for large‐area chemical barrier coating has somewhat faded. A chemical vapor deposition process is reported here for the conformal growth of hBN on large surfaces of various alloys and steels, regardless of their complex shapes. In contrast to the previously reported very limited protection by hBN against corrosion and oxidation, protection of steels against 10% HCl and oxidation resistance at 850 °C in air is demonstrated. Furthermore, an order of magnitude reduction in the friction coefficient of the hBN coated steels is shown. The growth mechanism is revealed in experiments on thin metal films, where the tunable growth of single‐crystal hBN with a selected number of layers is demonstrated. The key distinction of the process is the use of N 2 gas, which gets activated exclusively on the catalyst's surface and eliminates adverse gas‐phase reactions. This rate‐limiting step allowed independent control of activated nitrogen along with boron coming from a solid source (like elemental boron). Using abundant and benign precursors, this approach can be readily adopted for large‐scale hBN synthesis in applications where cost, production volume, and process safety are essential.

2D materials↗
DOE OSTI2015

The influence of an MgO nanolayer on the planar Hall effect in NiFe films

The Planar Hall Effect (PHE) in NiFe films was studied using MgO as the buffer and capping layer to reduce the shunt effect. The thermal annealing was found to be effective in increasing the sensitivity. The sensitivity of the magnetic field reached as high as 865 V/AT in a MgO (3 nm)/NiFe (5 nm)/MgO(3 nm)/Ta(3 nm) structure after annealing at 500 °C for 2 h, which is close to the sensitivity of semiconductor Hall Effect (HE) sensors. X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) were used to study the sample. The results show that the top crystallization of MgO and NiFe (111) texture were improved by proper annealing. The smooth and clear bottom MgO/NiFe and top NiFe/MgO interface is evident from our data. In addition, the shunt current of Ta was decreased. These combined factors facilitate the improvement of the sensitivity of the magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Er-doped anatase TiO 2 thin films on LaAlO 3 (001) for quantum interconnects (QuICs)

Rare-earth ions (REIs) doped into solid-state crystal hosts offer an attractive platform for realizing quantum interconnects that can function as quantum memories and quantum repeaters. The 4f valence electrons of REIs are shielded by 5s and 5p electrons and undergo highly coherent transitions even when embedded in host crystals. In particular, Er 3+ has an optical transition in the telecom band that is suitable for low-loss communication. Recently, REIs in thin film systems have gained interest due to potential advantages in providing a flexible host crystal environment, enabling scalable on-chip integration with other quantum devices. Here, we investigate the structural and optical properties of Er-doped anatase TiO 2 thin films on LaAlO 3 (001) substrates. By choosing a system with minimal lattice mismatch and adjusting Er-dopant concentration, we achieve optical inhomogeneous linewidths of 5 GHz at 4.5 K. Furthermore, we show that 9 nm-thick buffer and capping layers can reduce the linewidth by more than 40%, suggesting a pathway to further narrowing linewidths in this system. We also identify that Er 3+ ions mainly incorporate into substitutional Ti 4+ sites with non-polar D 2d symmetry, which makes Er dopants insensitive to the first order to local electric fields from impurities and is desirable for coherence properties of Er 3+ spins.

42 ENGINEERING↗
DOE OSTI2020

Growth and stability of Pb intercalated phases under graphene on SiC

Graphene intercalation is a novel way to control graphene's band structure and generate two-dimensional quantum materials with unusual spintronic and electronic properties. In spite of its importance, information about the intercalation mechanism is lacking, especially the role of low density domain boundaries between regions of graphene of different thickness. With high resolution surface diffraction we have systematically studied Pb intercalation on epi-graphene grown on SiC, with domain boundaries between buffer and single layer graphene. By examining the evolution of different diffraction spots as a function of tempertature, the location of Pb and stability of the intercalated phases underneath were determined.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Formation of ultrasmooth thin silver films by pulsed laser deposition

Ultrasmooth thin silver films have been formed on a quartz substrate with a buffer yttrium oxide layer by pulsed laser deposition. The dependence of the surface morphology of the film on the gas (N{sub 2}) pressure in the working chamber and laser pulse energy is investigated. It is found that the conditions of film growth are optimal at a gas pressure of 10{sup -2} Torr and lowest pulse energy. The silver films formed under these conditions on a quartz substrate with an initial surface roughness of 0.3 nm had a surface roughness of 0.36 nm. These films can be used as a basis for various optoelectronics and nanoplasmonics elements.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ultrathin Barrier InAlN/GaN Heterostructures for HEMTs

InAlN/AlN/GaN semiconductor heterostructures with a barrier thickness of 5–13 nm have been grown by metalorganic vapor phase epitaxy (MOVPE) on sapphire and SiC substrates. Optimization of GaN buffer and InAlN layers allows fabricating structures with sheet conductivity values below 210 Ohm/sq. High electron mobility transistors (HEMTs) fabricated from such structures show drain current value exceeding 1.25 A/mm with maximum transconductance of 450 mS/mm. Use of thin in situ Si{sub 3}N{sub 4} capping allows to fabricate and compare HEMT and MIS-HEMTs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

256 x 256 PACE-1 PV HgCdTe focal plane arrays for medium and short wavelength infrared applications

The development of two 256 by 256 hybrid HgCdTe focal plane array (FPA) families is described, and their performance is discussed. The hybrid FPAs employ a PV HgCdTe detector array and custom Si CMOS readouts. The PACE-1 process was used to fabricate the detectors, whereby the liquid phase epitaxial growth of HgCdTe occurs on sapphire substrates buffered by a layer of CdTe. The performance characteristics of the detector arrays are given. A tactical 256 by 256 CMOS readout is tested, in which a high functional yield was achieved. Updated test results are given for a 256 by 256 readout circuit developed for use in an orbital replacement instrument for the Hubble Space Telescope. The characterizations of several MWIR and SWIR FPAs were thorough and shown to be reliable. The pixel yield, maximum FPA responsivity nonuniformity, and SWIR FPA read noise for the tests are given. The high contrast and insignificant fixed pattern noise of the imagery from the MWIR 256 by 256 FPA are emphasized. These qualities were obtained when the device was operating at 80 k and utilizing f/2 optics with an 8-in. focal length and a 4.4 micron high pass filter.

Kozlowski, L. J.↗
DOE OSTI2025

Assessment of Buffer-IPyC Thermomechanical Debonding Behavior Using New Experiment Strength Data in BISON

TRIstructural ISOtropic (TRISO) single sub-millimeter-diameter nuclear fuel particle consists of a spherical fuel kernel surrounded by four coating layers. During reactor operation, the TRISO coating layers are subjected to irradiation-induced dimensional changes and the associated thermomechanical behavior of each layer. One of the observed behaviors is gap formation between the buffer and IPyC layer due to the porous buffer’s irradiation-induced shrinkage exceeding that of the IPyC layer. To predict TRISO thermomechanical performance, multi-physics models have been built that are continually updated and refined. The BISON code is a finite element-based nuclear fuel performance code that may be used for TRISO particle simulations. One of the recent additions to the BISON code is the ability to model the process of layer debonding. This paper will focus on the simulation results of the improved BISON debonding model that will utilize updated strengths measured from irradiated TRISO fuel particles. The new experimental strength data from micromechanical tests of irradiated TRISO fuel samples were exercised in the BISON simulations and compared to baseline strength data to assess their applicability in the models. This also includes updated buffer-IPyC bond strengths to simulate layer delamination. Based on current experimental observations it is noted that the buffer-IPyC separation occurs not exactly at the junction of these two layers, but more on the side of the buffer layer. This improved modeling approach using experimental strength data to characterize buffer-IPyC debonding and its potential subsequent cracking will be presented in the paper along with comparisons to available experimental observations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Ceramographic Examinations of Irradiated AGR-1 Fuel Compacts

The AGR 1 experiment involved irradiating 72 cylindrical fuel compacts containing tri-structural isotropic (TRISO)-coated particles to a peak burnup of 19.5% fissions per initial metal atom with no in-pile failures observed out of almost 300,000 particles. Five irradiated AGR 1 fuel compacts were selected for microscopy that span a range of irradiation conditions (temperature, burnup, and fast fluence). These five compacts also included all four TRISO coating variations irradiated in the AGR experiment. The five compacts were cross-sectioned both transversely and longitudinally, mounted, ground, and polished after development of careful techniques for preserving particle structures against preparation damage. Approximately 40 to 80 particles within each cross section were exposed near enough to mid-plane for optical microscopy of kernel, buffer, and coating behavior. The microstructural analysis focused on kernel swelling and porosity, buffer densification and fracture, debonding between the buffer and inner pyrolytic carbon (IPyC) layers, and fractures in the IPyC and SiC layers. Three basic particle morphologies were established according to the extent of bonding between the buffer and IPyC layers: complete debonding along the interface (Type A), no debonding along the interface (Type B), and partial debonding (Type AB). These basic morphologies were subdivided according to whether the buffer stayed intact or fractured. The resulting six characteristic morphologies were used to classify particles within each cross section, but no spatial patterns were clearly observed in any of the cross-sectional morphology maps. Although positions of particle types appeared random within compacts, examining a total of 830 classified particles allowed other relationships among morphological types to be established.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Ceramographic Examinations of Irradiated AGR-1 Fuel Compacts

The AGR-1 experiment involved irradiating 72 cylindrical fuel compacts containing tri-structural isotropic (TRISO)-coated particles to a peak burnup of 19.5% fissions per initial metal atom with no in-pile failures observed out of almost 300,000 particles. Six irradiated AGR 1 fuel compacts were selected for microscopy that span a range of irradiation conditions (temperature, burnup, and fast fluence). These six compacts also included all four TRISO coating variations irradiated in the AGR experiment. The six compacts were cross-sectioned both transversely and longitudinally, mounted, ground, and polished after development of careful techniques for preserving particle structures against preparation damage. From 36 to 79 particles within each cross section were exposed near enough to midplane for optical microscopy of kernel, buffer, and coating behavior. The microstructural analysis focused on kernel swelling and porosity, buffer densification and fracture, debonding between the buffer and inner pyrolytic carbon (IPyC) layers, and fractures in the IPyC and SiC layers. Three basic particle morphologies were established according to the extent of bonding between the buffer and IPyC layers: complete debonding along the interface (Type A), no debonding along the interface (Type B), and partial debonding (Type AB). These basic morphologies were subdivided according to whether the buffer stayed intact or fractured. The resulting six characteristic morphologies were used to classify particles within each cross section, but no spatial patterns were clearly observed in any of the cross-sectional morphology maps. Although positions of particle types appeared random within compacts, examining a total of 931 classified particles allowed other relationships among morphological types to be established.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Heterostructures of metamorphic GaInAs photovoltaic converters fabricated by MOCVD on GaAs substrates

Heterostructures of metamorphic GaInAs photovoltaic converters (PVCs) are on GaAs substrates by the metal-organic chemical vapor deposition (MOCVD) method. It is shown that using a multilayer metamorphic buffer with a step of 2.5% in indium content and layer thicknesses of 120 nm provides the high quality of bulk layers subsequently grown on the buffer up to an indium content of 24%. PVCs with a long-wavelength photosensitivity edge up to 1300 nm and a quantum efficiency of ~80% in the spectral range 1050–1100 nm are fabricated. Analysis of the open-circuit voltage of the PVCs and diffusion lengths of minority carriers in the layers demonstrates that the density of misfit dislocations penetrating into the bulk layers increases at an indium content exceeding 10%.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Runtime extension for neural network training with heterogeneous memory

Systems, apparatuses, and methods for managing buffers in a neural network implementation with heterogeneous memory are disclosed. A system includes a neural network coupled to a first memory and a second memory. The first memory is a relatively low-capacity, high-bandwidth memory while the second memory is a relatively high-capacity, low-bandwidth memory. During a forward propagation pass of the neural network, a run-time manager monitors the usage of the buffers for the various layers of the neural network. During a backward propagation pass of the neural network, the run-time manager determines how to move the buffers between the first and second memories based on the monitored buffer usage during the forward propagation pass. As a result, the run-time manager is able to reduce memory access latency for the layers of the neural network during the backward propagation pass.

Mappouras, Georgios↗