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At least 253 records · Page 14

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↗

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↗

Strain to failure measurements of Cr coatings with different processing

Differently processed Cr coatings on Zircaloy cladding were assessed for coating strain to failure. This report includes i) quantification of Cr coating strain to failure for several coating variants, ii) incorporation of high throughput analysis developed utilizing artificial intelligence, and iii) develop a hoop direction coating strain to failure testing approach for high temperatures that doesn’t require digital image correlation strain measurements. Room temperature strain to failure measurements indicated that heat treatment had an impact on strain to failure of the coating, with increasing heat treatment temperature increasing the average strain to failure of the Cr coating.

36 MATERIALS SCIENCE↗

Mining Thermophile Photosynthesis Genes: A Synthetic Operon Expressing Chloroflexota Species Reaction Center Genes in Rhodobacter sphaeroides

Photosynthesis is the foundation of the vast majority of life systems, and is therefore the most important bioenergetic process on earth. The greatest diversity of photosynthetic systems is found in microorganisms. However, our understanding of the biophysical and biochemical processes that transduce light into chemical energy is derived from a relatively small subset of proteins from microbes that are amenable to cultivation, in contrast to the huge number of predicted proteins that catalyze the initial photochemical reactions deposited in databases, such as from metagenomics. We describe the use of a Rhodobacter sphaeroides laboratory strain for the expression of heterologous photosynthesis genes to demonstrate the feasibility of mining this resource, focusing on hot spring Chloroflexota gene sequences. Using a synthetic operon of genes, we produced a photochemically active complex of reaction center proteins in our biological system. We also present bioinformatic analyses of anoxygenic type II reaction center sequences from metagenomic samples collected from hot (42–90 °C) springs available through the JGI IMG database, to generate a resource of diverse sequences that are potentially adapted to photosynthesis at such temperatures. These data provide a view into the natural diversity of anoxygenic photosynthesis, through a lens focused on high-temperature environments. The approach we took to express such genes can be applied for potential biotechnology purposes as well as for studies of fundamental catalytic properties of these heretofore inaccessible protein complexes.

Chloroflexota↗

Vertical Etching of Scandium Aluminum Nitride Thin Films Using TMAH Solution

A wide bandgap, an enhanced piezoelectric coefficient, and low dielectric permittivity are some of the outstanding properties that have made Sc x Al 1-x N a promising material in numerous MEMS and optoelectronics applications. One of the substantial challenges of fabricating Sc x Al 1-x N devices is its difficulty in etching, specifically with higher scandium concentration. In this work, we have developed an experimental approach with high temperature annealing followed by a wet etching process using tetramethyl ammonium hydroxide (TMAH), which maintains etching uniformity across various Sc compositions. The experimental results of etching approximately 730 nm of Sc x Al 1-x N (x = 0.125, 0.20, 0.40) thin films show that the etch rate decreases with increasing scandium content. Nevertheless, sidewall verticality of 85°~90° (±0.2°) was maintained for all Sc compositions. Based on these experimental outcomes, it is anticipated that this etching procedure will be advantageous in the fabrication of acoustic, photonic, and piezoelectric devices.

36 MATERIALS SCIENCE↗

The Statistics of Extended Debris Disks Measured with Gaia and Planck

Thermal emission from debris disks around stars has been measured using targeted and resolved observations. We present an alternative likelihood-based approach in which temperature maps from the Planck cosmic microwave background (CMB) survey at 857 and 545 GHz are analyzed in conjunction with stellar positions from Gaia to estimate the fraction of stars hosting disks and the thermal emission from the disks. The debris disks are not resolved (or even necessarily detected individually), but their statistical properties and the correlations with stellar properties are measured for several thousand stars. We compare our findings with higher sensitivity surveys of smaller samples of stars. For dimmer stars, in particular K and M dwarfs, we find that about 10% of stars within 80 pc have emission consistent with debris disks. We also report on 80 candidate disks, the majority of which are not previously identified. We have previously constrained the properties of Exo-Oort clouds using Planck data—with future CMB surveys, both components can be measured for different stellar types, providing a new avenue to study the outer parts of planetary systems.

79 ASTRONOMY AND ASTROPHYSICS↗

2D Retrieval Frameworks for Hot Jupiter Phase Curves

Spectroscopic phase curves provide unique access to the three-dimensional properties of transiting exoplanet atmospheres. However, a modeling framework must be developed to deliver accurate inferences of atmospheric properties for these complex data sets. Here, we develop an approach to retrieve temperature structures and molecular abundances from phase curve spectra at any orbital phase. In the context of a representative hot Jupiter with a large day–night temperature contrast, we examine the biases in typical one-dimensional (1D) retrievals as a function of orbital phase/geometry, compared to two-dimensional (2D) models that appropriately capture the disk-integrated phase geometry. We guide our intuition by applying our new framework on a simulated Hubble Space Telescope (HST)+Spitzer phase curve data set in which the “truth” is known, followed by an application to the spectroscopic phase curve of the canonical hot Jupiter, WASP-43b. We also demonstrate the retrieval framework on simulated James Webb Space Telescope (JWST) phase curve observations. We apply our new geometric framework to a joint fit of all spectroscopic phases, assuming longitudinal molecular abundance homogeneity, resulting in an a factor of 2 improvement in abundances precision when compared to individual phase constraints. With a 1D retrieval model on simulated HST+Spitzer data, we find strongly biased molecular abundances for CH{sub 4} and CO{sub 2} at most orbital phases. With 2D, the day and night profiles retrieved from WASP-43b remain consistent throughout the orbit. JWST retrievals show that a 2D model is strongly favored at all orbital phases. Based on our new 2D retrieval implementation, we provide recommendations on when 1D models are appropriate and when more complex phase geometries involving multiple TP profiles are required to obtain an unbiased view of tidally locked planetary atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

Ex-situ Heat Treatment of TEM Foils in a Custom Titanium Fixture: A Case Study on Ni-based Superalloy

The advancement of microstructural characterization at the nanoscale is critical to understanding the microstructural evolution and performance of engineering materials. Transmission electron microscopy (TEM) plays a vital role in such investigations, particularly when coupled with controlled ex- and in-situ experiments. In this study, we introduce a novel method for ex-situ heat treatment (HT) of TEM foils using a custom-designed fixture, made from pure titanium, and vacuum furnace to inhibit oxidation. This approach ensures precise temperature control and minimal sample contamination during HT, critical for substructural characterization and analysis of metallic materials. The fixture consists of a titanium base with three slits, for three sample foils, and a titanium cap for closure. The entire assembly is placed in a vacuum heat treatment furnace with high vacuum capability to prevent oxidation. To validate the effectiveness of the setup, precipitation behavior and microstructural changes were studied in an IN725 variant heat-treated at 500°C for 1 hour and 282 variant heat-treated at 700°C for 1 hour, as case studies.

electron microscopy↗

Modeling Contact Angle vs. Temperature for the Quartz-Water-Decane System

Innovative approaches are needed to improve the efficiency of oil recovery technologies to meet the growing demands of fossil-fuel based energy consumption. Enhanced oil recovery (EOR) methods such as low-salinity waterflooding and chemically tuned waterflooding aim to optimize the reservoir’s wetting properties, detaching oil globules from rock surfaces and allowing easier oil flow through pore throats. This wetting behavior is commonly quantified by contact angle measurements of the rock-oil-brine interface, which have been thoroughly investigated and theorized for many systems at ambient temperatures and pressures. However, few studies exist for extending contact angle theories away from ambient conditions. In this paper, we model the contact angles of a quartz-water-decane system at elevated temperatures using the surface tension component (STC) approach. Temperature-dependent van der Waals [Lifshitz-van der Waals (LW)] interactions and hydrogen-bonding (acid-base) interactions were calculated and are incorporated into the model for the quartz-water-decane interface. Additionally, the Hough and White procedure was used to create temperature-dependent dielectric functions of quartz, water, and normal decane for calculations of Hamaker coefficients. Hamaker coefficients calculated this way are highly linear with temperature and agree well with Israelachvili’s approximation. The acid-base interactions likely contribute the most to system wettability changes. Resulting contact angles of the quartz-water-decane system shift from water-wet (16°) to slightly water-wet (57.4°) as temperature increases. The model was also successfully verified for the quartz-air-water system. Our results can be used in future studies to determine optimal injected water compositions for specific rock-oil-brine and other systems with consideration of reservoir temperature.

02 PETROLEUM↗

Forecasting Commercial Building Electricity Consumption, Zone Airflow and Zone Temperature: Update - Development of a Generalized Machine Learning Approach

The U.S. power grid is being transformed to make it smarter, more efficient, and cleaner. This transformation is leading to the addition of a significant of energy generated by distributed, variable, and renewable resources. Because of the variable nature of renewable generation, the short- and long-term supply and demand imbalances are less predictable, and conventional approaches to mitigating the imbalances will be less efficient or cost effective. To address this challenge and to support the mission and the vision of the U.S. Department of Energy’s (DOE’s) Office of Energy Efficiency and Renewable Energy (EERE) Building Technologies Office has developed a Grid-Interactive Efficient Building Strategy. The strategy focuses on simultaneously improving building energy efficiency and supporting reliability and resilience of the electric grid more efficiently and at a lower cost. In addition, EERE and DOE’s Office of Electricity created an initiative led by DOE and supported by the national laboratories under the Grid Modernization Lab Consortium structure to enhance grid modernization. The work reported in this document is part of the first set of projects funded under the initiative to design, develop, and validate scalable transactive control technologies for the commercial buildings sector. Transactive controls requires the ability of individual end-use loads to express flexibility as a function of a transactive signal (e.g., price). Empirical grey- and black-box models have been widely used to express flexibility. Although this approach is generally easy to construct and simple to use, it does not capture non-linear behavior that some end-use loads represent. Therefore, Pacific Northwest National Laboratory (PNNL) with support from Western Washington University conducted this research to explore the use of deep machine learning (ML) techniques. The work reported in this document is limited to forecasting whole building electricity consumption, the zone airflow and the zone temperature predictions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Multi-scale fission product release model with comparison to AGR data

TRistructural ISOtropic (TRISO) particle fuel is central to several advanced, high-temperature reactor designs. Each particle consists of a fuel kernel encapsulated by three layers of carbon and ceramics that prevent the release of fission products and ensure physical integrity. Despite outstanding retention properties, fission product release has been observed from intact particles. To better understand and quantify fission product release from TRISO particles, a multiscale, mechanistic model of fission product transport is being developed by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. Previous work focused on silver (Ag) transport and improved Ag release predictions. The work described in this report builds on this experience to better understand cesium (Cs) transport in silicon carbide (SiC), the main barrier to the release of fission products. Atomistic simulations provide bulk and grain boundary (GB) Cs diffusivities in SiC, which are used by phase field simulations in the mesoscale code Marmot to determine the temperature, microstructure, and irradiation-dependent Cs diffusivity at the mesoscale in SiC. This approach attributes the different temperature regimes experimentally observed for Cs diffusivities in SiC to a transition from bulk-dominated diffusivity at high temperatures to a GB-dominated regime at low temperatures, providing new insight. The multiscale, mechanistic effective diffusivity is then implemented in the fuel performance code BISON and further validated by comparing Cs release predictions from Advanced Gas Reactor (AGR)-1 and AGR-2 post-irradiation measurements. The new model improves BISON’s predictability. This document also reports improvements made on Ag transport modeling by accounting for different GB types having different diffusivities. Moreover, this report details preliminary efforts to model palladium (Pd) attack of the SiC at the mesoscale using a phase field approach. Pd attack and its impact on accelerated Ag transport remains a misunderstood phenomenon, and we use the model to demonstrate that the formation of lamellae that has been observed in experiments can be explained by the reaction of Pd with SiC to form alternating layers of graphite and Pd 2 Si. This effort aims to improve our understanding of the reaction and eventually provide a model for BISON to account for Pd penetration and its effects on fission product release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Comparative analysis of thermal management systems in electric vehicles at extreme weather conditions: Case study on Nissan Leaf 2019 Plus, Chevrolet Bolt 2020 and Tesla Model 3 2020

With the surge in electric vehicle (EV) adoption and the need for extended driving ranges, optimizing energy efficiency, particularly through thermal management, is critical, especially in extreme weather. Managing the substantial energy needed for cabin climate control and battery temperature regulation can increase energy demands by over 50 %, severely limiting range. This study conducts a comparative analysis of thermal management systems (TMS) in three popular EV vehicles, 2020 Chevrolet Bolt, 2019 Nissan Leaf Plus, and 2020 Tesla Model 3, evaluating their distinct TMS configurations and performance under varied weather conditions. Using both numerical simulations and experimental data collected on a controlled test bench at Argonne National Laboratory, we assess how TMS architecture and operational modes influence energy consumption and range. A comprehensive TMS model was developed, integrating cabin and battery thermal sub-models in the Autonomie software platform, to simulate temperature fluctuations and range impacts. Cabin climate was modeled using a mono-zonal approach, while battery cell temperature distribution was estimated through a 2D nodal structure. Each vehicle's distinct TMS setup was evaluated: the Chevrolet Bolt and Tesla Model 3 use a dual evaporator vapor compression cycle with a PTC heater for the cabin and a coolant loop for battery thermal management; the Nissan Leaf Plus employs a heat pump with a PTC heater for the cabin and air-cooling for the battery. Tests conducted at ambient temperatures of 35°C, 22°C, -7°C, and -18°C reveal significant differences in energy use and range reduction across both configurations and conditions. At 35°C, the Tesla Model 3, Chevrolet Bolt, and Nissan Leaf Plus have a range reduction of 8%, 9%, and 13%, respectively, due to air conditioning. In winter, heating technology is paramount; at -7°C, the Nissan Leaf's heat pump configuration achieves a lower range reduction (19.3%) compared to the Tesla and Chevrolet Bolt PTC heaters, which reduce range by 28.3% and 31%, respectively. Further, this study provides valuable insights for automotive engineers, EV technology researchers, and thermal management system designers aiming to enhance electric vehicle performance by understanding how different weather conditions and TMS architectures impact energy consumption and driving range.

33 ADVANCED PROPULSION SYSTEMS↗

Embedding Fiber Optic Sensors in Stainless Steel using Spark Plasma Sintering for Structural Health Monitoring in Harsh Environments

Embedded fiber optic sensors such as fiber Bragg gratings (FBGs) offer a unique route for distributed real-time in-situ imaging of various engineering parameters for numerous purposes. This study advanced the current sensor embedding approaches by exploring a spark plasma sintering (SPS)-assisted technology to embed FBGs in high-temperature structural materials and demonstrated the capability of temperature measurement. In this approach, single-mode FBGs were integrated into stainless steel (SS) 316L components using SPS, followed by the evaluation of the bonding quality between the FBGs and matrix, the optical attenuation of the fibers induced by embedding, and the sensing characters of the FBGs under temperature stimuli. The results demonstrated that superior bonding was achieved between the FBGs and highly-densified SS316L. Examination of the behavior of Bragg gratings validated signal fidelity after embedding. Real-time thermal imaging under temperature cycling using the FBGs demonstrated the effectiveness of the technique for smart materials manufacturing.

36 - MATERIALS SCIENCE↗

A numerical evaluation of the ambient air temperature in the Electron-Ion Collider tunnel

The Electron-Ion Collider (EIC) is a next-generation collider-accelerator that may require consistent operating temperature conditions for the beams within the accelerator tunnels to maintain stable operation. Variations in ambient temperature within the tunnel can cause thermal expansion of beampipe and component supports and can negatively affect the tunnel equipment, impacting the stability of the beamline. Modifications will be made to the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory (BNL) to create the EIC, which necessitates a temperature model that addresses these modifications. To approach this problem, the consistency of temperature changes in different tunnel sections was first evaluated by plotting RHIC tunnel temperature data at various times of the day and year. From this data, a tunnel section was selected and a 2D temperature model was created for RHIC, EIC, and EIC with added cooling configurations. Soil temperature data was analyzed to determine the maximum, average, and mode soil temperatures, which were used as boundary conditions in different temperature scenarios. Computational fluid dynamics modeling was used to create 2D temperature profiles for the configurations. From this model, the predicted temperatures indicate that further analysis is required to validate the boundary conditions and benchmark the current conditions to allow the prediction of the tunnel ambient conditions at EIC. This research can be used as a preliminary model to create an EIC tunnel cooling system that will increase the operational stability of the EIC. As a result of my work this summer, I have become familiar with computational fluid dynamics, including creating fluid dynamic simulations using ANSYS Fluent and related software. I have also learned about the project process required for planning large-scale engineering projects.

43 PARTICLE ACCELERATORS↗

Record thermopower found in an IrMn-based spintronic stack

The Seebeck effect converts thermal gradients into electricity. As an approach to power technologies in the current Internet-of-Things era, on-chip energy harvesting is highly attractive, and to be effective, demands thin film materials with large Seebeck coefficients. In spintronics, the antiferromagnetic metal IrMn has been used as the pinning layer in magnetic tunnel junctions that form building blocks for magnetic random access memories and magnetic sensors. Spin pumping experiments revealed that IrMn Néel temperature is thickness-dependent and approaches room temperature when the layer is thin. Here, we report that the Seebeck coefficient is maximum at the Néel temperature of IrMn of 0.6 to 4.0 nm in thickness in IrMn-based half magnetic tunnel junctions. We obtain a record Seebeck coefficient 390 (±10) μV K -1 at room temperature. Our results demonstrate that IrMn-based magnetic devices could harvest the heat dissipation for magnetic sensors, thus contributing to the Power-of-Things paradigm.

42 ENGINEERING↗

Analysis of the ghost and mirror fields in the Nernst signal induced by superconducting fluctuations

In this work, we present a complete analysis of the Nernst signal due to superconducting fluctuations in a large variety of superconductors from conventional to unconventional ones. A closed analytical expression of the fluctuation contribution to the Nernst signal is obtained in a large range of temperature and magnetic field. We apply this expression directly to experimental measurements of the Nernst signal in Nb x Si 1-x thin films and URu 2 Si 2 superconductors. Both magnetic field and temperature dependence of the available data are fitted with very good accuracy using only two fitting parameters, the superconducting temperature T c0 and the upper critical field H c2 (0). The obtained values agree very well with experimentally obtained values. We also extract the ghost lines (the maximum of the Nernst signal for constant temperature or magnetic field) from the complete expression and also compare it to several experimentally obtained curves. Our approach predicts a linear temperature dependence for the ghost critical field well above T c0 . Within the errors of the experimental data, this linearity is indeed observed in many superconductors far from T c0 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

ASME Code Qualification Plan for LPBF 316 SS

This report describes a plan to qualify laser powder bed fusion (LPBF) 316 stainless steel for use with the American Society of Mechanical Engineers (ASME) Boiler & Pressure Vessel Code Section III, Division 5 rules for metallic components in high temperature nuclear reactors. Accomplishing this goal would make the material and manufacturing process available to vendors for inclusion in the next generation of advanced, high temperature reactors. The general approach adopted here is to treat LPBF 316 as if it was a completely new material and to develop a plan to qualify the material according to the current ASME practices. One key goal of this work is to explore and develop accelerated qualification approaches that might reduce the time required to qualify new materials by reducing the need for long term testing. However, the qualification plan here does not employ any accelerated qualification approaches to provide a limiting, bounding description of the number, duration, and types of testing required to qualify LPBF 316 without such techniques and to describe a comprehensive dataset that could be used to explore and validate accelerated qualification approaches in the future. The report addresses the fundamental challenges to qualifying Advanced Manufacturing (AM) materials for high temperature applications and summarizes the ASME Section III qualification process as well as current efforts to qualify LBPF and DED 316 for low temperature applications. The report then discusses specific issues, both material and logistical, related to qualifying PBF 316 steel. The final chapters of the report describe a complete test plan designed to generate sufficient data to qualify the material as well as a data management plan for how to store and manage the data to eventually provide the test data packaged needed to qualify the material with ASME.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗