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At least 1,171 records · Page 65

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NASA NTRS2009

NEXT Long-Duration Test Plume and Wear Characteristics after 16,550 h of Operation and 337 kg of Xenon Processed

The NASA s Evolutionary Xenon Thruster (NEXT) program is developing the next-generation ion propulsion system with significant enhancements beyond the state-of-the-art. The NEXT ion propulsion system provides improved mission capabilities for future NASA science missions to enhance and enable Discovery, New Frontiers, and Flagship-type NASA missions. As part of a comprehensive thruster service life assessment utilizing both testing and analyses, a Long-Duration Test (LDT) was initiated to validate and qualify the NEXT propellant throughput capability to a qualification-level of 450 kg, 1.5 times the mission-derived throughput requirement of 300 kg. This wear test is being conducted with a modified, flight-representative NEXT engineering model ion thruster, designated EM3. As of June 25, 2008, the thruster has accumulated 16,550 h of operation: the first 13,042 h at the thruster full-input-power of 6.9 kW with 3.52 A beam current and 1800 V beam power supply voltage. Operation since 13,042 h, i.e., the most recent 3,508 h, has been at an input power of 4.7 kW with 3.52 A beam current and 1180 V beam power supply voltage. The thruster has processed 337 kg of xenon (Xe) surpassing the NSTAR propellant throughput demonstrated during the extended life testing of the Deep Space 1 flight spare. The NEXT LDT has demonstrated a total impulse of 13.3 106 N s; the highest total impulse ever demonstrated by an ion thruster. Thruster plume diagnostics and erosion measurements are obtained periodically over the entire NEXT throttle table with input power ranging 0.5 to 6.9 kW. Observed thruster component erosion rates are consistent with predictions and the thruster service life assessment. There have not been any observed anomalous erosion and all erosion estimates indicate a thruster throughput capability that exceeds ~750 kg of Xe, an equivalent of 36,500 h of continuous operation at the full-power operating condition. This paper presents the erosion measurements and plume diagnostic results for the NEXT LDT to date with emphasis on the change in thruster operating condition and resulting impact on wear characteristics. Ion optics grid-gap data, both cold and operating, are presented. Performance and wear predictions for the LDT throttle profile are presented.

Herman, Daniel A.↗

NASA NTRS2009

Airframe Icing Research Gaps: NASA Perspective

qCurrent Airframe Icing Technology Gaps: Development of a full 3D ice accretion simulation model. Development of an improved simulation model for SLD conditions. CFD modeling of stall behavior for ice-contaminated wings/tails. Computational methods for simulation of stability and control parameters. Analysis of thermal ice protection system performance. Quantification of 3D ice shape geometric characteristics Development of accurate ground-based simulation of SLD conditions. Development of scaling methods for SLD conditions. Development of advanced diagnostic techniques for assessment of tunnel cloud conditions. Identification of critical ice shapes for aerodynamic performance degradation. Aerodynamic scaling issues associated with testing scale model ice shape geometries. Development of altitude scaling methods for thermal ice protections systems. Development of accurate parameter identification methods. Measurement of stability and control parameters for an ice-contaminated swept wing aircraft. Creation of control law modifications to prevent loss of control during icing encounters. 3D ice shape geometries. Collection efficiency data for ice shape geometries. SLD ice shape data, in-flight and ground-based, for simulation verification. Aerodynamic performance data for 3D geometries and various icing conditions. Stability and control parameter data for iced aircraft configurations. Thermal ice protection system data for simulation validation.

Potapczuk, Mark↗

DOE OSTI2022

4.2.1.31 Integrated Life Cycle Sustainability Analysis

This project provides the Department of Energy's Bioenergy Technologies Office (BETO) with strategic decision-support for the evaluation of its R&D portfolio by developing, validating, and applying a coherent methodology and consistent model framework to quantify the net effects of an expanding US bioeconomy. The framework fills an analysis gap previously identified by Peer Review and supports a related milestone in BETO's Multi-Year Program Plan. The framework was scoped with inputs from practitioners in academia, national laboratories, and federal agencies. The model is a top-down, economy-wide framework using a coherent methodology to compute environmental and socio-economic metrics. It is purposefully complementary to existing bottom-up, process-based techno-economic and life cycle assessment BETO tools and uses their data as inputs. Presently, the model covers several commercial and near-commercial biofuel routes and an emerging pathway for plastics upcycling. It covers temporal detail across four time-steps and is currently being expanded with a prospective modeling capability. The model has provided analyses for the Third Triennial Report to Congress (RtC3) on the environmental impacts of the Renewable Fuel Standard (RFS2), among others. As part of this project, NREL also provides scientific support to BETO in the International Energy Agency's Technology Collaboration Program on Bioenergy (IEA Bioenergy) Task 45 on Sustainability. Here, NREL evaluates and synthesizes activities that develop, compare, or apply metrics, methods, and tools to quantify sustainability effects of bioeconomy products. NREL also coordinates related national lab involvement and a BETO Working Group on Sustainable Land Management.

bioeconomy↗

DOE OSTI2023

Harmonising the land-use flux estimates of global models and national inventories for 2000–2020

As the focus of climate policy shifts from pledges to implementation, there is a growing need to track progress on climate change mitigation at the country level, particularly for the land-use sector. Despite new tools and models providing unprecedented monitoring opportunities, striking differences remain in estimations of anthropogenic land-use CO 2 fluxes between, on the one hand, the national greenhouse gas inventories (NGHGIs) used to assess compliance with national climate targets under the Paris Agreement and, on the other hand, the Global Carbon Budget and Intergovernmental Panel on Climate Change (IPCC) assessment reports, both based on global bookkeeping models (BMs). Recent studies have shown that these differences are mainly due to inconsistent definitions of anthropogenic CO 2 fluxes in managed forests. Countries assume larger areas of forest to be managed than BMs do, due to a broader definition of managed land in NGHGIs. Additionally, the fraction of the land sink caused by indirect effects of human-induced environmental change (e.g. fertilisation effect on vegetation growth due to increased atmospheric CO 2 concentration) on managed lands is treated as non-anthropogenic by BMs but as anthropogenic in most NGHGIs. We implement an approach that adds the CO 2 sink caused by environmental change in countries' managed forests (estimated by 16 dynamic global vegetation models, DGVMs) to the land-use fluxes from three BMs. This sum is conceptually more comparable to NGHGIs and is thus expected to be quantitatively more similar. Our analysis uses updated and more comprehensive data from NGHGIs than previous studies and provides model results at a greater level of disaggregation in terms of regions, countries and land categories (i.e. forest land, deforestation, organic soils, other land uses). Our results confirm a large difference (6.7 GtCO 2 yr —1 ) in global land-use CO 2 fluxes between the ensemble mean of the BMs, which estimate a source of 4.8 GtCO 2 yr —1 for the period 2000–2020, and NGHGIs, which estimate a sink of —1.9 GtCO 2 yr —1 in the same period. Most of the gap is found on forest land (3.5 GtCO 2 yr —1 ), with differences also for deforestation (2.4 GtCO 2 yr —1 ), for fluxes from other land uses (1.0 GtCO 2 yr —1 ) and to a lesser extent for fluxes from organic soils (0.2 GtCO 2 yr —1 ). By adding the DGVM ensemble mean sink arising from environmental change in managed forests (—6.4 GtCO 2 yr —1 ) to BM estimates, the gap between BMs and NGHGIs becomes substantially smaller both globally (residual gap: 0.3 GtCO 2 yr —1 ) and in most regions and countries. However, some discrepancies remain and deserve further investigation. For example, the BMs generally provide higher emissions from deforestation than NGHGIs and, when adjusted with the sink in managed forests estimated by DGVMs, yield a sink that is often greater than NGHGIs. In summary, this study provides a blueprint for harmonising the estimations of anthropogenic land-use fluxes, allowing for detailed comparisons between global models and national inventories at global, regional and country levels. This is crucial to increase confidence in land-use emissions estimates, support investments in land-based mitigation strategies and assess the countries' collective progress under the Global Stocktake of the Paris Agreement.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2023

Harmonising the Land-Use Flux Estimates of Global Models and National Inventories for 2000–2020

As the focus of climate policy shifts from pledges to implementation, there is a growing need to track progress on climate change mitigation at the country level, particularly for the land-use sector. Despite new tools and models providing unprecedented monitoring opportunities, striking differences remain in estimations of anthropogenic land-use CO 2 fluxes between, on the one hand, the national greenhouse gas inventories (NGHGIs) used to assess compliance with national climate targets under the Paris Agreement and, on the other hand, the Global Carbon Budget and Intergovernmental Panel on Climate Change (IPCC) assessment reports, both based on global bookkeeping models (BMs). Recent studies have shown that these differences are mainly due to inconsistent definitions of anthropogenic CO 2 fluxes in managed forests. Countries assume larger areas of forest to be managed than BMs do, due to a broader definition of managed land in NGHGIs. Additionally, the fraction of the land sink caused by indirect effects of human-induced environmental change (e.g. fertilisation effect on vegetation growth due to increased atmospheric CO 2 concentration) on managed lands is treated as non-anthropogenic by BMs but as anthropogenic in most NGHGIs. We implement an approach that adds the CO 2 sink caused by environmental change in countries' managed forests (estimated by 16 dynamic global vegetation models, DGVMs) to the land-use fluxes from three BMs. This sum is conceptually more comparable to NGHGIs and is thus expected to be quantitatively more similar. Our analysis uses updated and more comprehensive data from NGHGIs than previous studies and provides model results at a greater level of disaggregation in terms of regions, countries and land categories (i.e. forest land, deforestation, organic soils, other land uses). Our results confirm a large difference (6.7 GtCO 2 yr −1 ) in global land-use CO 2 fluxes between the ensemble mean of the BMs, which estimate a source of 4.8 GtCO 2 yr −1 for the period 2000–2020, and NGHGIs, which estimate a sink of −1.9 GtCO 2 yr −1 in the same period. Most of the gap is found on forest land (3.5 GtCO 2 yr −1 ), with differences also for deforestation (2.4 GtCO 2 yr −1 ), for fluxes from other land uses (1.0 GtCO 2 yr −1 ) and to a lesser extent for fluxes from organic soils (0.2 GtCO2 yr−1). By adding the DGVM ensemble mean sink arising from environmental change in managed forests (−6.4 GtCO 2 yr −1 ) to BM estimates, the gap between BMs and NGHGIs becomes substantially smaller both globally (residual gap: 0.3 GtCO 2 yr −1 ) and in most regions and countries. However, some discrepancies remain and deserve further investigation. For example, the BMs generally provide higher emissions from deforestation than NGHGIs and, when adjusted with the sink in managed forests estimated by DGVMs, yield a sink that is often greater than NGHGIs. In summary, this study provides a blueprint for harmonising the estimations of anthropogenic land-use fluxes, allowing for detailed comparisons between global models and national inventories at global, regional and country levels. This is crucial to increase confidence in land-use emissions estimates, support investments in land-based mitigation strategies and assess the countries' collective progress under the Global Stocktake of the Paris Agreement.

Giacomo Grassi↗

DOE OSTI2020

The state of algal genome quality and diversity

The genomic era of biology has created unprecedented opportunity to study how life works, including understanding evolutionary principles, bioprospecting for novel antibiotics, and genetic manipulation of bioeconomically-relevant species. While genome sequencing and genomic analysis was previously restricted to large-scale projects and consortia, sequencing has become democratized. However, as genomics has become commonplace, the cataloging of sequenced organisms has become challenging, and standardized practices for sequencing, assembly, and annotation have not been adopted. This is equally true in research fields such as algal biology, despite the growing importance of algae in a bio-based economy. Here, in this study, we provide a comprehensive review of the state of eukaryotic algal genomics, explore the quality of algal genome assemblies, and identify the biases and gaps in the current species distribution to inform the development of future genome projects. Overall, we find a trend of declining quality of genomic resources, including a reduction in assembly quality, gene annotation quality, and genome completeness. Potential solutions to improve genome quality include widespread utilization of long read and scaffolding technologies, implementation of standards for assembly quality, evidence-based gene annotation and requisite publication, and support of continued development of gene prediction and genome assessment software.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

CO2-Locate: A Dynamic Database and Tool for Accessing National Oil and Gas Well Data to Inform Carbon Storage Projects

The CO2-Locate Database is a growing compilation of publicly available wellbore resources that have been merged based on common attributes across data sources with an attribute schema developed to be consistent across disparate resources, reduce data gaps, and eliminate record redundancy. The first version of CO2-Locate has been published to Energy Data eXchange (EDX) and includes the integrated public wells dataset as well as additional geospatial summary layers of key wellbore characteristics to protect proprietary resources. Additionally, the CO2-Locate database has been deployed into a web application, enabling easy access, data filtering capabilities, and visualization of U.S. wellbore infrastructure by stakeholders to inform injection site selection and risk assessments.

Dyer, Alec S. [NETL Site Support Contractor, Natio↗

NASA NTRS1995

Marshall Space Flight Center surface modeling and grid generation applications

The Solid Rocket Motors (SRM) used by NASA to propel the Space Shuttle employ gimballing nozzles as a means for vehicular guidance during launch and ascent. Gimballing a nozzle renders the pressure field of the exhaust gases nonaxisymmetric. This has two effects: (1) it exerts a torque and side load on the nozzle; and (2) the exhaust gases flow circumferentially in the aft-dome region, thermally loading the flexible boot, case-to-nozzle joint, and casing insulation. The use of CFD models to simulate such flows is imperative in order to assess SRM design. The grids for these problems were constructed by obtaining information from drawings and tabulated coordinates. The 2D axisymmetric grids were designed and generated using the EZ-Surf and GEN2D surface and grid generation codes. These 2D grids were solved using codes such as FDNS, GASP, and MINT. These axisymmetric grids were rotated around the center-line to form 3D nongimballed grids. These were then gimballed around the pivot point and the gaps or overlaps resurfaced to obtain the final domains, which contained approximately 366,000 grid points. The 2D solutions were then rotated and manipulated as appropriate for geometry and used as initial guesses in the final solution. The analyses were used in answering questions about flight criteria.

Williams, Robert W.↗

NASA NTRS2020

Nuclear X-Ray Activity in Low-surface-brightness Galaxies: Prospects for Constraining the Local Black Hole Occupation Fraction with a Chandra Successor Mission

About half of nearby galaxies have a central surface brightness>1 mag below that of the sky. The overall properties of these low-surface-brightness galaxies(LSBGs)remain understudied, and in particular we know very little about their massive black hole population. This gap must be closed to determine the frequency of massive black holes at z=0 as well as to understand their role in regulating galaxy evolution. Here we investigate the incidence and intensity of nuclear, accretion-powered X-ray emission in a sample of 32 nearby LSBGs with the Chandra X-ray Observatory. A nuclear X-ray source is detected in four galaxies(12.5%). Based on an X-ray binary contamination assessment technique developed for normal galaxies, we conclude that the detected X-ray nuclei indicate low-level accretion from massive black holes. The active fraction is consistent with that expected from the stellar mass distribution of the LSBGs, but not their total baryonic mass, when using a scaling relation from an unbiased X-ray survey of normal galaxies. This suggests that their black holes co-evolved with their stellar population. In addition, the apparent agreement nearly doubles the number of galaxies available within∼100 Mpc for which a measurement of nuclear activity can efficiently constrain the frequency of black holes as a function of stellar mass. We conclude by discussing the feasibility of measuring this occupation fraction to a few percent precision below ≲ 10^10 M(ʘ) with high-resolution, wide-field X-ray missions currently under consideration.

Edmund J. Hodges-Kluck↗

NASA NTRSDate not supplied

The NASA JSC Hypervelocity Impact Technology (HVIT) Office

The Hypervelocity Impact Technology (HVIT) office at the Johnson Space Center (JSC) is dedicated to support NASA flight programs in meeting their meteoroid and orbital debris (MMOD) protection requirements both efficiently and effectively, with a minimum of shielding mass, volume, and cost. This paper provides an overview of HVIT capabilities in providing hypervelocity tests, analyses, MMOD risk assessments and shielding expertise. HVIT personnel work closely with NASA Program personnel to develop program-specific MMOD protection requirements which are achievable based on initial risk assessments. Then HVIT proceeds with hypervelocity impact testing and hydrocode assessments to update and verify ballistic limit equations used in the MMOD risk assessment. The final MMOD risk assessment prior to flight will show compliance with MMOD requirements. This final assessment will also incorporate changes in the MMOD environment from meteoroid showers and orbital debris breakups. After the mission is flown, post-flight inspections are performed by HVIT to document and trend MMOD damage to returned spacecraft surfaces and hardware. A majority of the hypervelocity impact tests are performed at the NASA WSTF Remote Hypervelocity Test Laboratory (RHTL), although other hypervelocity facilities that provide complementary test capabilities are called on when necessary to fill data gaps. HVIT accomplishments in NASA mission support are described. In addition, current HVIT activities to aid on-going NASA crewed missions and science missions are presented.

Hypervelocity↗

DOE OSTI2024

Realizing the Residential Electrification Opportunity: One Heat Pump at a Time

Space and water heating in residential buildings is a major contributor of greenhouse gas (GHG) emissions in the United States. Advanced electric heat pumps (HP) and heat pump water heaters (HPWH) are poised to provide a low carbon alternative to traditional fossil-based space and water heating. Widespread deployment of heat pumps could help address the significant portion of building emissions and primary energy used in American households, however much work needs to be done to close the knowledge gap between like-for-like fossil equipment replacement and switching to HPs for the average contractor. The Pacific Northwest National Laboratory (PNNL) has been working on closing this knowledge gap through the development of decision tools and resources targeted towards contractors and installers. Developed in coordination with stakeholders and experienced contractors from a variety of geographic regions, these tools help streamline the process of sizing and selecting residential HPs and HPWHs for key use cases. Along with the complementary Retrofit Decision Tool developed by PNNL, the decision tools will help contractors understand the importance of whole building considerations when choosing HPs including envelope upgrades, duct assessments, and electrical assessments to ensure optimal selection and performance of the HP or HPWH. They also provide direct links to resources and best practices developed by PNNL as well as external entities to further help contractor education and training. This paper describes the development of these tools, and their role in moving the existing space and water heating market towards HPs to help realize the country’s decarbonization goals.

heat pump, heat pump water heater, Residential bui↗

DOE OSTI2025

Thermal mechanical assessment of a SiC-SiC-composite clad fuel pin concept in a light water reactor environment

Accident Tolerant Fuels (ATFs) are designed to increase coping time following an accident scenario while preserving or improving current steady state reactor operational performance. A potential ATF concept is SiC-SiC composite claddings. Fuel performance simulations were conducted on a SiC-SiC based cladding concept utilizing a multilayered approach for improved performance. This cladding concept referred to as the Duplex concept is a duplex structure composed of a monolithic SiC layer placed on the outside of a SiC-SiC composite. A liquid metal is added to fuel-cladding gap for improved heat dissipation from the fuel. The monolithic SiC layer is used to improve the coolant corrosion characteristics and protect the SiC-SiC composite layer from exposure to the coolant. The fuel performance code BISON was used to conduct fuel performance simulations on the cladding concepts. Comparisons are made with a current prototypic fuel rod design (UO 2 fuel enclosed in Zircaloy-4 cladding). Representative steady-state cases were considered for normal power and two cycle power histories. Additionally, a PCI ramp case was simulated to analyze potential anticipated operational occurrences. Transient response during a Loss of Coolant Accident and a Reactivity Initiated Accident were also simulated. This computational study demonstrated that for normal operating conditions, the SiC concept cladding performed as well as the baseline for the standard power cases evaluated. The ramping evaluations indicate potential fracturing of the SiC-SiC composite of the composite cladding compared to the Zircaloy-4 cladding due to the temperature gradient and the subsequent differential thermal conductivity degradation and swelling across the composite thickness. In conclusion, the rod fails early at low enthalpy for RIA but survives a LOCA with minimal material loss due to high temperature steam corrosion.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Functional Assessment of Shell Recharge Solutions' SKY™ Platform OpenADR Capability

The project’s overall objective is to research, develop, and conduct a wide-scale demonstration of a utility smart charge management (SCM) system to develop optimal managed charging structures for grid value, evaluate the impact of EV charging on local distribution utility operations, and evaluate the utilities’ ability to control electronic vehicle (EV) charging load based on grid conditions. This report covers Argonne’s validation testing in the first period of the project, the objective of which was to determine the current managed charging functionality of the EVSE hardware, the network and the vehicle telematics software solution and understand gaps that need to be addressed prior to a large-scale demonstration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRSDate not supplied

Ensuring Safe Decision-Making on the Moon and Mars: Cognitive Performance Assessment for Exploration Class Mission EVA

Extravehicular activity (EVA) is one of the most dangerous and cognitively demanding actions that astronauts can execute, and the cognitive demands associated with future partial gravity EVAs on the Moon and Mars are expected to be higher compared to microgravity EVAs currently conducted from the International Space Station. Decrements in cognitive performance present an important risk to crew safety during exploration mission class EVA. Yet there is currently insufficient data to characterize cognitive performance prior to, during, and following EVA. Furthermore, it is still unclear which cognitive domains are most important for conducting mission critical decisions with crew safety implications. To address this gap, we conducted a cognitive task analysis (CTA) of EVA to characterize the procedures, the cognitive demands required, and the critical safety decisions associated with decrements in cognitive performance. We conducted a cognitive task analysis with 15 astronauts and subject matter experts in EVA operations and research. Interviews focused on surface exploration EVA and elicited feedback from experts on the cognitive skills required for specific EVA tasks, including cognitive strategies, critical cues, and decision-making strategies. A cognitive demands table was assembled to consolidate and synthesize the information from all interviews. The information from this cognitive task analysis informs ongoing exploration EVA for Moon to Mars. This work identifies the specific cognitive challenges that astronauts are likely to encounter during surface exploration EVA, and provides the foundation for: (1) prioritized and targeted cognitive performance measurement and functional performance tests, (2) EVA simulation design at varying levels of cognitive workload, and (3) the development of training and other technologies that can improve safe decision-making and inform EVA planning on future spaceflight missions to the Moon and Mars.

Steven R Anderson↗

DOE OSTI2022

Microparticle Impact Testing at High Precision, Higher Temperatures, and with Lithographically Patterned Projectiles

Abstract In the first decade of high‐velocity microparticle impact research, hardly any modification of the original experimental setup has been necessary. However, future avenues for the field require advancements of the experimental method to expand both the impact variables that can be quantitatively assessed and the materials and phenomena that can be studied. This work explores new design concepts for the launch pad (the assembly that launches microparticles upon laser ablation) that can address the root causes of many experimental challenges that may limit the technique in the future. Among the design changes contemplated, the substitution of a stiff glass launch layer for the standard elastomeric polymer layer offers a number of improvements. First, it facilitates a reduction of the gap between launch pad and target from hundreds to tens of micrometers and thus unlocks a reproducibility in targeting a specific impact location better than the diameter of the test particle itself (±1.75 µm for SiO 2 particles 7.38 µm in diameter). Second, the inert glass surface enables experiments at higher temperatures than previously possible. Finally—as demonstrated by the launch of thin‐film Au disks—a launch pad made of materials standard in microfabrication paves the way to facile microfabrication of advanced impactors.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Structural modeling and validation of laminated stacks in magnetic gearing applications

Laminated structures are commonly employed in magnetic gears based on their ability to direct magnetic flux, while inhibiting eddy currents. Unfortunately, the stiffness of the laminated structure is much lower than a solid part, which can lead to unacceptable deflections, given the large magnetic forces and small air gaps in magnetic gears. Finite element analysis of laminations to accurately predict these deflections can be computationally expensive due to the small elements needed to model the thin lamination dimensions. These analyses also have some uncertainty due to the assignment of bonding stiffness. This paper presents a means of accurately modelling the deflection of a laminated stack with reduced complexity and computational time, which is compared to experimental results. Here, the resulting methods are then used to assess the magnetic and mechanical advantages of different designs for the modulating pieces of a magnetic gear.

42 ENGINEERING↗

DOE OSTI2021

Investigation of hardening mechanisms and size effects in proton-irradiated HT-9 steels

Ferritic/martensitic steels, such as HT-9, are known for their complex microstructural features and mechanical properties. Here in this paper, in-situ micro-tensile tests and traditional fractography methods were utilized to study the fracture behavior of proton-irradiated HT-9 steels. First, to evaluate the viability of micro-tensile tests for nuclear material qualification process, meso-tensile tests on as-received HT-9 steels were performed. Fracture mechanisms of unirradiated HT-9 steels at both length scales were compared and underlying mechanisms discussed. The direct comparison of micro- and meso-scale data shows a distinctive size effect demonstrated by the increase in yield stress (YS). Upon completion of initial assessment, specimens were irradiated with 4 MeV + protons to three fluences, all of which were lower than 0.01 displacements per atom (dpa). As expected, the YS increases with irradiation. However, at 7 × 10 -3 dpa, the reversal of the trend was observed, and the YS exhibited sharp decline. We demonstrate that at lower length scales, grain structure has a more profound impact on the mechanical properties of irradiated materials, which provides information needed to fill in the gap in current understanding of the HT-9 fracture at different length scales.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Simulation and characterization of cation disorder in ZnGeP 2

New optoelectronic materials are needed for improving the efficiency and reliability of devices such as solar cells. Cation ordering presents one means of controlling optoelectronic properties while introducing potential to also diversify the mineral constituents of electronic devices; however, the mechanisms of ordering are not yet well understood. To better understand cation ordering in a system integratable with current devices, we assess short- and long-range order parameters of ZnGeP 2 , a material closely lattice matched to Si. Structures are simulated using cluster-based Monte Carlo and first-principles calculations to compare structural distortions, periodicity, and local coordination environments in ZnGeP 2 to experimental data both from the literature and presented here. Comparing order parameters, we relate the transition in order parameters of ZnGeP 2 to that of ZnGeP 2 , discuss the reduction of band gaps with disorder, and show that traditional structural characterization alone is insufficient for understanding order in ZnGeP 2 .

14 SOLAR ENERGY↗