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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Exceedance Probabilities and Recurrence Intervals for Extended Power Outages in the United States

Power outages cause significant economic and societal impacts. An increasing likelihood of extreme weather coupled with aging grid infrastructure is leading to a higher prevalence of extended power outages, which can leave customers without power for multiple days or even weeks. Planners at the facility, local, state, and federal levels are interested in resilience solutions to reduce the impacts of extended power outages. Resilience solutions—such as installing backup systems, integrating microgrid solutions, weatherizing buildings, and hardening distribution and transmission components—can reduce the consequences of extended power outages, but these solutions come with increased capital costs. Conducting cost-benefit analyses is important for determining which steps to take to mitigate the impact of power outages without investing in ineffective and cost-prohibitive resilience solutions. The expected benefits of resilience investments depend on the frequency of power outages of various durations, particularly extended outages lasting several hours, days, or weeks. A significant barrier to resilience planning is the lack of publicly available data on the frequency and duration of extended power outages. The absence of outage duration information severely limits the ability to conduct quantitative cost-benefit analyses of resilience investments. This report provides estimates of recurrence intervals and conditional exceedance probabilities for major power outages by U.S. region between 2015 and 2021. Additionally, we provide estimates for grid management, particularly outages caused by California’s public safety power shutoffs (PSPS), and for natural outages caused by major hurricanes. Outage recurrence intervals are the average number of years between outage events, and conditional exceedance probabilities are the likelihoods that a customer who experiences a major power outage will experience an outage exceeding a given duration. Major outage events are those that affect 10,000 or more customers, as defined by the U.S. Department of Energy’s (DOE’s) Electric Emergency Incident and Disturbance Report, called OE-417 (DOE 2020). These results can be applied to determine the likelihood of experiencing long-duration outages, which can be integrated into cost-benefit analyses of resilience solutions and broader energy resilience studies. We developed a methodology to estimate customer outage durations for extended outage events using publicly available data on customer outages. Shorter-duration power outages are relatively common, with customers experiencing on average more than one power outage each year lasting fewer than 12 hours. An outage event lasting between 1 day and 1 week is expected to occur between once every 16 years and once every 42 years, depending on the region, with an average recurrence rate of once every 32 years across the contiguous United States.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Topological nature of step-edge states on the surface of the topological crystalline insulator Pb 0.7 Sn 0.3 Se

In addition to novel surface states, topological insulators can also exhibit robust gapless states at crystalline defects. Step edges constitute a class of common defects on the surface of crystals. In this work we establish the topological nature of one-dimensional (1D) bound states localized at step edges of the (001) surface of a topological crystalline insulator Pb 0.7 Sn 0.3 Se, both theoretically and experimentally. We show that the topological stability of the step-edge states arises from an emergent particle-hole symmetry of the surface low-energy physics, and demonstrate the experimental signatures of the particle-hole symmetry breaking. We also reveal the effects of an external magnetic field on the 1D bound states. Furthermore, our work suggests the possibility of similar topological step-edge modes in other topological materials with a rocksalt structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Behavioral Features of MIS Memristors with a Si{sub 3}N{sub 4} Nanolayer Fabricated on a Conductive Si Substrate

The effect of the material of the metal plates (Au, Ta, W) and exposure to a high-power blue laser on the memristive characteristics of metal–insulator–semiconductor (MIS) capacitors with a Si{sub 3}N{sub 4} film 6 nm thick fabricated on the basis of n{sup +}-Si is studied. It is shown that bipolar switching by the current appears only in capacitors with Au. The causes of the absence of bipolar switching in capacitors with Ta and W are explained. The switching of capacitors with Ta by the current and light and the photomemory effect are detected. It is shown that, despite the high doping level of the semiconductor substrate, it decreases the MIS memristor response rate due to a high density of surface states localized at the Si{sub 3}N{sub 4}/n{sup +}-Si interface. However, illumination allows a significant increase in the response rate due to a decrease in the semiconductor resistivity. The surface state densities are determined. To improve the frequency characteristics of MIS memristors, it is necessary to achieve a low surface state density.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Colorado State University: A Midscale Market Solar Customer Case Study

Despite substantial increases in solar photovoltaic (PV) deployment between 2005 and 2015, a large untapped market for solar PV deployment still exists in midscale market investments by universities. Recent estimates show that if all universities in the United States installed enough solar PV to meet 25% of their annual electricity consumption, this would cumulatively result in just over 16 gigawatts (GW) of additional installed PV capacity. Within this context, midscale market projects - loosely defined as solar PV installations ranging from 100 kilowatts (kW) to 2 megawatts (MW), but more broadly representing installations not captured in the residential or utility-scale sectors - could be an attractive option for universities. This case study focuses on one university solar customer, Colorado State University (CSU), to provide a detailed example of the challenges, solutions, and opportunities associated with university solar power procurement. Between 2009 and 2015, a combined 6,754 kW of both ground-mounted and rooftop solar PV was installed across multiple CSU campuses in Fort Collins, Colorado. This case study highlights CSU's decision-making process, campus engagement strategies, and relationships with state, local, and utility partners, which have culminated in significant on-campus PV deployment.

14 SOLAR ENERGY↗
DOE OSTI2024

Williston Basin Carbon Ore, Rare Earths, and Critical Minerals (CORE-CM) Program

The U.S. Department of Energy’s Office of Fossil Energy awarded 13 CORE-CM programs as part of the CORE-CM Initiative, designed to develop the technology and upstream and midstream supply chains to extract rare-earth elements (REEs) and critical minerals (CMs) from the nation’s coal supplies. The intent is to catalyze regional economic growth and job creation while strengthening the use of domestic resources. The Williston Basin CORE-CM Program aims to drive the expansion and transformation of coal and coal-based resource usage within the Williston Basin to produce REEs, CMs, and nonfuel carbon-based products (CBPs). A coalition team of nearly 30 private industry, university, and state, local, and federal government partners was formed for this task. Partners include the University of North Dakota’s Energy & Environmental Research Center, College of Engineering and Mines Research Institute, and Nistler College; North Dakota State University; Montana Tech University; Pacific Northwest National Laboratory; Critical Materials Institute; North Dakota Geological Survey; South Dakota Geological Survey; U.S. Geological Survey; North American Coal Corporation; BNI Energy; Basin Electric Power Cooperative; Minnkota Power Cooperative; and many more. This presentation will focus on the current status and results to date of the Williston Basin CORE-CM Program, with a focus on core sample characterization for REE and CM content.

Folkedahl, Bruce C.↗
DOE OSTI2024

Quantum simulations of hadron dynamics in the Schwinger model using 112 qubits

Hadron wave packets are prepared and time evolved in the Schwinger model using 112 qubits of IBM’s 133-qubit Heron quantum computer ibm_torino. The initialization of the hadron wave packet is performed in two steps. First, the vacuum is prepared across the whole lattice using the recently developed SC-ADAPT-VQE algorithm and workflow. SC-ADAPT-VQE is then extended to the preparation of localized states, and used to establish a hadron wave packet on top of the vacuum. This is done by adaptively constructing low-depth circuits that maximize the overlap with an adiabatically prepared hadron wave packet. Due to the localized nature of the wavepacket, these circuits can be determined on a sequence of small lattices using classical computers, and then robustly scaled to prepare wave packets on large lattices for simulations using quantum computers. Time evolution is implemented with a second-order Trotterization. To reduce both the required qubit connectivity and circuit depth, an approximate quasilocal interaction is introduced. This approximation is made possible by the emergence of confinement at long distances, and converges exponentially with increasing distance of the interactions. Using multiple error-mitigation strategies, up to 14 Trotter steps of time evolution are performed, employing 13,858 two-qubit gates (with a CNOT depth of 370). The propagation of hadrons is clearly identified, with results that compare favorably with Matrix Product State simulations. Finally, prospects for a near-term quantum advantage in simulations of hadron scattering are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Atomically precise engineering of spin–orbit polarons in a kagome magnetic Weyl semimetal

Atomically precise defect engineering is essential to manipulate the properties of emerging topological quantum materials for practical quantum applications. However, this remains challenging due to the obstacles in modifying the typically complex crystal lattice with atomic precision. Here, we report the atomically precise engineering of the vacancy-localized spin–orbit polarons in a kagome magnetic Weyl semimetal Co 3 Sn 2 S 2 , using scanning tunneling microscope. We achieve the step-by-step repair of the selected vacancies, leading to the formation of artificial sulfur vacancies with elaborate geometry. We find that that the bound states localized around these vacancies undergo a symmetry dependent energy shift towards Fermi level with increasing vacancy size. As the vacancy size increases, the localized magnetic moments of spin–orbit polarons become tunable and eventually become itinerantly negative due to spin–orbit coupling in the kagome flat band. These findings provide a platform for engineering atomic quantum states in topological quantum materials at the atomic scale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Observation of weak carrier localization in green emitting InGaN/GaN multi-quantum well structure

Green emitting InGaN/GaN multi-quantum well samples were investigated using transmission electron microscopy, photoluminescence (PL), and time-resolved photoluminescence (TRPL) spectroscopy. Weak carrier localization with characteristic energy of ∼12 meV due to an inhomogeneous distribution of In in the InGaN quantum (QW) layer is observed. The temperature dependence of the PL peak energy exhibits S-shape phenomenon and is comparatively discussed within the framework of the Varshni's empirical formula. The full width at half maximum of the PL emission band shows an increasing-decreasing-increasing behavior with increasing temperature arising from the localized states caused by potential fluctuations. The radiative life time, τ{sub r}, extracted from the TRPL profile shows ∼T{sup 3/2} dependence on temperature above 200 K, which confirms the absence of the effect of carrier localization at room temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Distributed Wind Policy Comparison Tool Guidebook

Power through Policy: 'Best Practices' for Cost-Effective Distributed Wind is a U.S. Department of Energy (DOE)-funded project to identify distributed wind technology policy best practices and to help policymakers, utilities, advocates, and consumers examine their effectiveness using a pro forma model. Incorporating a customized feed from the Database of State Incentives for Renewables andEfficiency (DSIRE), the Web-based Distributed Wind Policy Comparison Tool (Policy Tool) is designed to assist state, local, and utility officials in understanding the financial impacts of different policy options to help reduce the cost of distributed wind technologies. The Policy Tool can be used to evaluate the ways that a variety of federal and state policies and incentives impact theeconomics of distributed wind (and subsequently its expected market growth). It also allows policymakers to determine the impact of policy options, addressing market challenges identified in the U.S. DOE's '20% Wind Energy by 2030' report and helping to meet COE targets.

17 WIND ENERGY↗
DOE OSTI2011

Distributed Wind Policy Comparison Tool

Power through Policy: 'Best Practices' for Cost-Effective Distributed Wind is a U.S. Department of Energy (DOE)-funded project to identify distributed wind technology policy best practices and to help policymakers, utilities, advocates, and consumers examine their effectiveness using a pro forma model. Incorporating a customized feed from the Database of State Incentives for Renewables and Efficiency (DSIRE), the Web-based Distributed Wind Policy Comparison Tool (Policy Tool) is designed to assist state, local, and utility officials in understanding the financial impacts of different policy options to help reduce the cost of distributed wind technologies. The Policy Tool can be used to evaluate the ways that a variety of federal and state policies and incentives impact the economics of distributed wind (and subsequently its expected market growth). It also allows policymakers to determine the impact of policy options, addressing market challenges identified in the U.S. DOE’s '20% Wind Energy by 2030' report and helping to meet COE targets.

distributed↗
DOE OSTI2018

Initial Site-Specific Studies for Removing SNF from Six Shutdown Sites - 18042

The US Department of Energy (DOE) is exploring options for developing a large-scale transportation system for the safe transport of spent nuclear fuel (SNF) and high-level radioactive waste to future storage or disposal facilities. This complex, large-scale transportation system will involve coordinated, integrated activities. Interfaces with various transportation and non-transportation activities must be defined, and systems must be developed to ensure successful integration when the system becomes operational. To provide an understanding of the tasks and interfaces required for the complete de-inventory of particular sites where SNF is stored, DOE solicited bids from integrating contractors to develop initial site-specific de-inventory reports. The reports were developed for several nuclear power plant sites selected to represent a range of geographic locations, existing on-site SNF storage systems, and expected transportation modal options. Each report is presented in a self-contained narrative describing a potential campaign for removing all SNF and greater-than-class-C low-level radioactive waste (GTCC waste) from each specified site. Each study narrative includes site information; an analysis of the near-site transportation infrastructure; a concept of operations for the de-inventory; an estimated budget and schedule for the duration of operations; and a safety and security plan with site-specific considerations, emergency response considerations, and recommendations for the next steps DOE could take to de-inventory the site. The reports provide cost estimates for analytical purposes only; they do not attempt to specify the party or parties responsible for the costs. These reports present a first look at how an integrating contractor might recommend removing SNF from particular sites. They are written from the perspective of the contractor and do not represent DOE's plans. At this writing, six sites have been studied: - Connecticut Yankee, - Big Rock Point, - Humboldt Bay, - Maine Yankee, - Trojan, - Kewaunee. DOE may develop de-inventory reports for all reactor sites, with an initial focus on shutdown reactor sites. The order in which sites have been selected for study should not be considered an indicator of the order used by DOE to remove SNF from the sites. Since the SNF's destination is not important for the purpose of this work, DOE tasked the contractor with planning transportation of the SNF from the site to a generic railroad location in the approximate geographical center of the United States. These reports represent an initial study of the specific sites. Per the terms of the contract, the contractor was not permitted to engage in dialogue with power plant site personnel; near-site railroad personnel; or any local, state, or regional stakeholders about the studies. DOE provided site-specific data. The contractor was tasked to rely on past corporate experience, data available from DOE, and publicly available data when making site-specific recommendations for removing all SNF from each site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Preparing Communities for Nuclear Terrorism

Both Presidents George W. Bush and Barack Obama have designated the potential use of nuclear or radiological weapons by a terrorist organization as the most significant danger facing American society. In order to confront this threat the Obama Administration’s 2011 National Strategy for Counterterrorism states, “We recognize that no nation, no matter how powerful, can prevent every threat from coming to fruition. That is why we are focused on building a culture of resilience able to prevent, respond to, or recover fully from any potential act of terror directed at the United States.”1 Promoting the necessary transition of a “culture of resilience” from ambitious rhetoric to plausible reality requires American communities to serve as the primary initiators. Rather than begin with a top down strategy at the national level, it is necessary to ingrain a whole of community approach at the local, state, and federal stages. Through utilization of resiliency planning techniques stakeholders can prepare for a wide spectrum of hazards ranging from natural disasters to the threat of nuclear terrorism. The National Strategy for Counterterrorism affirms that, “Supporting community leaders and influential local stakeholders as they develop solutions tailored to their own particular circumstances is a critical part of our whole-of-government approach that contributes to our counterterrorism goals.” A catalyst for increasing community resilience is knowledge of the threat, what preparedness actions to take, how to implement those actions and communal consensus on why these actions are beneficial. It is important for community leaders to understand the risks associated with nuclear/radiological terrorism and the initial steps required to mitigate these dangers through resilience.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Origin of Stabilization of Ligand-Centered Mixed Valence Ruthenium Azopyridine Complexes: DFT Insights for Neuromorphic Applications

Redox-driven conductance changes are critical processes in molecular- and coordination-complex-based memristive thin films and devices that are envisioned for neuromorphic technologies, but fundamental mechanisms of conductance switching are not fully understood. Here, we explore charge disproportionation (CD) processes in [Ru II L 2 ](PF 6 ) 2 molecular systems that intrinsically involve interfragment charge transfer (IFCT). Using a combination of ab initio molecular dynamics simulation (AIMD), time-dependent density functional theory (TD-DFT), and density functional theory (DFT) calculations, we investigate the electron transfer mechanisms and the roles of temperature and cell volumetric expansion in facilitating the counterion movements and electronic transitions required for low-cost IFCT and charge redistribution. A detailed analysis of the density of states and TD-DFT calculations highlights that unpaired electrons play a crucial role in low-energy transitions, with the azo (N=N) groups of the ligand serving as the primary sites for electronic transport between molecular fragments, further stabilizing the asymmetric state. Localization of added electrons on azo ligands occurs with negligible change at the Ru centers, supported by atomic volume expansions up to +4.74 bohr 3 , and goes along with a progressive reduction of the HOMO−LUMO gap across redox states, suggesting enhanced conductivity. The TD-DFT analysis reveals a dominant IFCT excitation at 2082.76 nm in the doubly reduced (22) state, while a stabilization energy of 1.20 eV of the asymmetric (13) state relative to the symmetric (22) state is predicted by constrained DFT. Periodic DFT and AIMD simulations emulating a molecular film show that the stabilization of the asymmetric state, relative to a symmetric one, translates in net charge separation values (order of ∼0.33 e) that are strongly linked to increased counterion mobility (average counterion displacements exceeding 0.7 Å per atom during CD events) and the involvement of azo groups in electron redistribution. These findings, which align with previously reported experimental and computational data, provide key insights into the IFCT mechanisms and electronic transport facilitated by azo groups, with important implications for redox-driven memristive and neuromorphic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Mixed electrochemical–ferroelectric states in nanoscale ferroelectrics

Ferroelectricity on the nanoscale has been the subject of much fascination in condensed-matter physics for over half a century. In recent years, multiple reports claiming ferroelectricity in ultrathin ferroelectric films based on the formation of remnant polarization states, local electromechanical hysteresis loops, and pressure-induced switching were made. But, similar phenomena were reported for traditionally non-ferroelectric materials, creating a significant level of uncertainty in the field. We show that in nanoscale systems the ferroelectric state is fundamentally inseparable from the electrochemical state of the surface, leading to the emergence of a mixed electrochemical–ferroelectric state. We explore the nature, thermodynamics, and thickness evolution of such states, and demonstrate the experimental pathway to establish its presence. Our analysis reconciles multiple prior studies, provides guidelines for studies of ferroelectric materials on the nanoscale, and establishes the design paradigm for new generations of ferroelectric-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Evolution of the electronic structure in Mo1 xRex alloys

We report a detailed experimental and theoretical study of the electronic structure of Mo1 xRex random alloys. We have measured electronic band dispersions for clean and hydrogen-covered Mo1 xRex (110) with x = 0 0.25 using angle-resolved photoemission spectroscopy. Our results suggest that the bulk and most surface electronic bands shift relative to the Fermi level systematically and approximately rigidly with Re concentration. We distinguish and quantify two contributions to these shifts: a raise of the Fermi energy and an increase of the overall bandwidth. Alloy bands calculated using the firstprinciples Korringa Kohn Rostoker coherent-potential-approximation method accurately predict both of these effects. As derived from the rigid band model, the Fermi energy shift is inversely related to the bulk density of states in this energy region. Using our results, we also characterize an electronic topological transition of the bulk Fermi surface and relate this to bulk transport properties. Finally, we distinguish effects beyond the rigid band approximation: a highly surface-localized state and a composition-dependent impact of the spin orbit interaction.

Okada, Michio↗
DOE OSTI2014

Electric field induced spin and valley polarization within a magnetically confined silicene channel

We study the electronic structure and transport properties of Dirac electrons along a channel created by an exchange field through the proximity of ferromagnets on a silicene sheet. The multiple total internal reflection induces localized states in the channel, which behaves like an electron waveguide. An effect of spin- and valley-filtering originating from the coupling between valley and spin degrees is predicted for such a structure. Interestingly, this feature can be tuned significantly by locally applying electric and exchange fields simultaneously. The parameter condition for observing fully spin- and valley-polarized current is obtained. These findings may be observable in todays' experimental technique and useful for spintronic and valleytronic applications based on silicene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Optical transitions of holes in uniaxially compressed germanium

Spontaneous emission and photoconductivity of germanium with gallium impurity are studied for determining the energy spectrum of hole states in this material in which radiation can be induced as a result of transitions of holes between these states. Holes were excited by electric field pulses with a strength up to 12 kV/cm at T = 4.2 K under uniaxial compression of samples up to 12 kbar. It has been found that hole emission spectra for transitions between resonant and local states of the impurity have a structure identical to the photoconductivity and absorption spectra. Transitions from resonance states, which are associated with the heavy hole subband, have not been detected. It has been found that in an electric field lower than 100 V/cm, a compressed crystal emits as a result of transitions of heavy holes. In a strong electric field (1-3 kV/cm), emission is observed in the energy range up to 140 meV, and transitions with emission of TA and LO phonons appear in such a field. The emission spectra under pressures of 0 and 12 kbar differ insignificantly. Hence, it follows that the contributions from heavy and light holes in a strong electric field are indistinguishable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗