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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2022

High-throughput oxygen chemical potential engineering of perovskite oxides for chemical looping applications

Chemical looping (CL) represents a versatile, emerging strategy for sustainable chemical and energy conversion. Designing metal oxide oxygen carriers with suitable redox properties remains one of the most critical challenges to CL due to the considerably different thermodynamic property requirements for different applications. Here, taking SrFeO 3–δ as a base-structure, this study seeks to rationally substitute its A- and/or B-site cations to tailor the equilibrium oxygen partial pressure over 20 orders of magnitude. 2401 Sr x A 1–x Fe y B 1–y O 3–δ perovskite-phase structures were investigated using high-throughput density functional theory (DFT) and 227, 273 high-entropy perovskites were screened via machine learning (ML). This significantly expands the materials design space. While most of the compositions predicted are new and nonobvious, 19 previously reported oxygen carriers, with excellent redox properties, were correctly identified by the algorithm. Moreover, we experimentally demonstrated 15 new oxygen carriers with superior redox performance. These results support the effectiveness of the high-throughput approaches for accelerated materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Oxidative dehydrogenation of cyclohexene on atomically precise subnanometer Cu 4− n Pd n (0 ≤ n ≤ 4) tetramer clusters: the effect of cluster composition and support on performance

High fidelity selectivity tuning of the oxidative dehydrogenation of cyclohexene was achieved through the control of the atomic composition of CuPd clusters and their interactions with the support.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Assessing DER Network Cybersecurity Defences in a Power-Communication Co-Simulation Environment

Increasing penetrations of interoperable distributed energy resources (DER) in the electric power system are expanding the power system attack surface. Maloperation or malicious control of DER equipment can now cause substantial disturbances to grid operations. Fortunately, many options exist to defend and limit adversary impact on these newly-created DER communication networks, which typically traverse the public internet. However, implementing these security features will increase communication latency, thereby adversely impacting real-time DER grid support service effectiveness. In this work, a collection of software tools called SCEPTRE were used to create a co-simulation environment where SunSpec-compliant PV inverters were deployed as virtual machines and interconnected to simulated communication network equipment. Network segmentation, encryption, and moving target defence security features were deployed on the control network to evaluate their influence on cybersecurity metrics and power system performance. The results indicated that adding these security features did not impact DER-based grid control systems but improved the cybersecurity posture of the network when implemented appropriately.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Performance of Heterogeneous Algorithm Scheduling in CMSSW

The CMS experiment started to utilize Graphics Processing Units (GPU) to accelerate the online reconstruction and event selection running on its High Level Trigger (HLT) farm in the 2022 data taking period. The projections of the HLT farm to the High-Luminosity LHC foresee a significant use of compute accelerators in the LHC Run 4 and onwards in order to keep the cost, size, and power budget of the farm under control. This direction of leveraging compute accelerators has synergies with the increasing use of HPC resources in HEP computing, as HPC machines are employing more and more compute accelerators that are predominantly GPUs today. In this work we review the features developed for the CMS data processing framework, CMSSW, to support the effective utilization of both compute accelerators and many-core CPUs within a highly concurrent task-based framework. We measure the impact of various design choices for the scheduling of heterogeneous algorithms on the event processing throughput, using the Run-3 HLT application as a realistic use case.

Bocci, Andrea↗

DOE OSTI2021

Electronic nature of chiral charge order in the kagome superconductor CsV 3 Sb 5

Kagome superconductors with T C up to 7 K have been discovered for over 40 y. Recently, unconventional chiral charge order has been reported in kagome superconductor KV 3 Sb 5 , with an ordering temperature of one order of magnitude higher than the T C . However, the chirality of the charge order has not been reported in the cousin kagome superconductor CsV 3 Sb 5 , and the electronic nature of the chirality remains elusive. In this paper, we report the observation of electronic chiral charge order in CsV 3 Sb 5 via scanning tunneling microscopy (STM). We observe a 2 × 2 charge modulation and a 1 × 4 superlattice in both topographic data and tunneling spectroscopy. 2 × 2 charge modulation is highly anticipated as a charge order by fundamental kagome lattice models at van Hove filling, and is shown to exhibit intrinsic chirality. We find that the 1 × 4 superlattices form various small domain walls, and can be a surface effect as supported by our first-principles calculations. Crucially, we find that the amplitude of the energy gap opened by the charge order exhibits real-space modulations, and features 2 × 2 wave vectors with chirality, highlighting the electronic nature of the chiral charge order. STM study at 0.4 K reveals a superconducting energy gap with a gap size 2Δ = 0.85 meV, which estimates a moderate superconductivity coupling strength with 2Δ/k B T C = 3.9. Furthermore, when further applying a c-axis magnetic field, vortex core bound states are observed within this gap, indicative of clean-limit superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Electromagnetic Shielding Design for 200 kW Stationary Wireless Charging of Light-Duty EV

Wireless power transfer (WPT) is a developing technology with the advantage of convenience and flexible charging. SAE recommended practice J2954 defines typical size and geometry with aluminum or ferrite plate shielding to limit leakage electromagnetic (EM) fields for WPT with power levels lower than 22 kVA from the input side. However, as the WPT power goes up to 100- or 200-kW level, EM safety surrounding the WPT becomes a critical concern. To address this oncoming safety challenge, a novel ferrite shielding design is proposed in this paper. Different misalignment scenarios in accordance with definitions in SAE J2954 are also taken into consideration to ensure EM safety under various operation scenarios. Simulation results, which are preliminarily verified by magnetic field measurements at 1.1 m from the center of the vehicle side coil under 100 kW operation, indicate that the magnetic field leakage can be maintained below the limits defined in SAE J2954 for 200 kW operation. A 3.3 kW scale-down test was also carried out and compared to parallel scale-down simulations. 26.8% field emission reduction is observed from the scale-down test, which supports the effectiveness of the proposed shielding design.

Zhang, Bo↗

DOE OSTI2021

Integration of evidence across human and model organism studies: A meeting report

The National Institute on Drug Abuse and Joint Institute for Biological Sciences at the Oak Ridge National Laboratory hosted a meeting attended by a diverse group of scientists with expertise in substance use disorders (SUDs), computational biology, and FAIR (Findability, Accessibility, Interoperability, and Reusability) data sharing. The meeting's objective was to discuss and evaluate better strategies to integrate genetic, epigenetic, and 'omics data across human and model organisms to achieve deeper mechanistic insight into SUDs. Specific topics were to (a) evaluate the current state of substance use genetics and genomics research and fundamental gaps, (b) identify opportunities and challenges of integration and sharing across species and data types, (c) identify current tools and resources for integration of genetic, epigenetic, and phenotypic data, (d) discuss steps and impediment related to data integration, and (e) outline future steps to support more effective collaboration—particularly between animal model research communities and human genetics and clinical research teams. This review summarizes key facets of this catalytic discussion with a focus on new opportunities and gaps in resources and knowledge on SUDs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Understanding Platinum Ionomer Interface Properties of Polymer Electrolyte Fuel Cells

A well-designed cathode catalyst layer with optimal ionomer distribution is critical to minimizing amount of Platinum (Pt) content in polymer electrolyte fuel cells (PEFCs). The impact of Pt loading, ionomer content and carbon support types on the catalyst/ionomer interface were also investigated at dry and wet conditions. Higher Pt loadings resulted in higher double layer capacity (C dl ) and similar electrochemical surface area (ECSA) due to well dispersed ionic phase material. Higher ionomer content resulted in higher ionic conductivity but also showed similar SO 3 − group coverage. High surface area (HSA) carbon support had larger ECSA and C dl at both dry and wet conditions, as less agglomerated Pt was well dispersed in the meso-pores of the support. Lower SO 3 − group coverages were observed for HSA carbon than for Vulcan carbon due to Pt particles being buried within the porous HSA carbon support. The effect of cell conditioning and voltage recovery on the PEFC cathode catalyst layer was shown to have minimal impact on SO 3 − group coverage despite a decrease in C dl and ECSA due to the size increase of Pt particles. At dry condition, a significant increases in SO 3 − group coverage were observed for all MEAs due to higher adsorptivity of ionomer in dry conditions.

25 ENERGY STORAGE↗

DOE OSTI2023

Toward a Smart Metaverse City: Immersive Realism and 3D Visualization of Digital Twin Cities

Metaverse and its related extended reality technologies can enable immersive, realistic, and participatory visualization of 3D data, and their use and the potential within a smart city can be effective for supporting urban research and urban operations management. This book chapter describes a vision for prototyping a “Smart Metaverse City” to combine the unique advantage of the Metaverse technology with the two-way connectivity of a digital twin city application. This synergy aims to create a virtual environment for immersive geovisualization to help researchers and the public understand the complex urban system through science-based and data-driven approaches. This book chapter selectively reviews past technological and paradigm advancements for collecting, analyzing, and visualizing 3D urban big data. Then we present a prototyping Geographic Information System (GIS) framework, together with some relevant data sources and open-source web technologies, to help researchers create a smart Metaverse city. We demonstrate our vision and discuss its application opportunities through a real-world example, a digital twin city developed at the Oak Ridge National Laboratory, to facilitate participatory, smart, and sustainable campus management.

Xu, Haowen↗

DOE OSTI2022

Generation of polarization entanglement via the quantum Zeno effect

The quantum Zeno effect reveals that continuous observation of a quantum system can significantly alter its evolution. Here, we present a method for establishing polarization entanglement between two initially unentangled photons in coupled waveguides via the quantum Zeno effect. We support our analytical investigation with numerical simulations of the underlying Schrodinger equation describing the system. Further, we extend our technique to three coupled waveguides in a planar configuration and determine the parameters required to generate three-qubit W-states. In contrast to existing schemes based on a vacuum and single-photon encoding, the polarization encoding in our approach is compatible with quantum information protocols that remove photon loss through post-selection. Our findings offer a powerful quantum state engineering approach for photonic quantum information technologies.

Nodurft, Ian C.↗

DOE OSTI2026

Structuring, stochastic behavior, and charge storage capacity of redox-active microemulsions formulated with mixtures of toluene and ionic liquid as oil phase

Oil/water microemulsions (µEs) are promising electrolytes for redox flow batteries (RFBs) as they simultaneously improve charge capacity and ionic conductivity. Here, we report the successful formulation of bicontinuous µEs where the oil phase is a solution of trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide ionic liquid in toluene with redox-active ferrocene. We examined the effect of supporting electrolyte anion (NO 3 – , Cl – , ClO 4 – ) on the structure, reactivity, transport, and electrolytic performance of redox-active µEs. Neutron scattering and nuclear magnetic resonance showed that the domain size increased as Cl – > NO 3 – > ClO 4 – while the ferrocene diffusion coefficient increased as NO 3 – > Cl – > ClO 4 – . Scanning electrochemical microscopy indicated anion-dependent current fluctuations during electrolysis, with ClO 4 – exhibiting the least high-frequency oscillations, which correlate to the highest charge and discharge capacity and reversibility. All ionic liquid containing systems improved the performance of toluene-based µEs, highlighting new design principles for these electrolytes.

diffusion↗

DOE OSTI2023

Novel Transformational Membranes and Process for CO 2 Capture from Flue Gas (FE0031731)

The objectives of this project are to develop a cost-effective design and fabrication process for a novel transformational membrane and its membrane modules that capture CO 2 from flue gas. Optimization of the novel transformational membrane, scale-up of the membrane to a prototype size of about 20" wide in continuous roll-to-roll fabrication, and construction and testing of a skid for the integrated membrane process will be performed. For the design of this membrane, we use a cost-effective polymer support and coat a thin top layer of the membrane. The simplicity of this membrane design offers a low cost for the membrane element in commercial spiral-wound (SW) configuration (<$2.00/ft 2 or $21.5/m 2 ). The prototype membrane will be used to fabricate 6 pilot-size membrane modules (each about 20" length, 3 modules each at the commercial-size diameter of 8 inches with 35 m 2 membrane area for Stage 1 and 3 modules each at 5-inch diameter with 12 m 2 membrane area for Stage 2) for testing with simulated flue gas at OSU and with actual flue gas at the National Carbon Capture Center, Wilsonville, AL using the skid to capture the CO 2 (at 60 – 90%) with at least 95% CO 2 purity. The prototype membrane modules will be in commercial SW configuration with a minimal pressure drop (<0.103 bar/meter (1.5 psi/meter)). These objectives have been achieved successfully.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2023

SAM Code Development for Source Term Modeling in Fluoride-salt-cooled High-temperature Reactors

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. Many concepts leverage higher operating temperatures for improved efficiency with a variety of coolants and structural materials to support those needs. Such design choices may also pose unique radiological source term risks. There are continuous efforts to incorporate new physics and phenomena relevant to advanced reactor concepts, including capabilities to enable system-level source term modeling. The Pebble-Bed Fluoride-salt-cooled High-temperature Reactor (PB-FHR) is a promising candidate among advanced nuclear reactor concepts with its improved passive safety characteristics and high thermal efficiency. In addition to past efforts to support the development and utilization of SAM for PB-FHR safety analysis, the species transport modeling capabilities in SAM have been extended to simulate source term phenomena in concepts like the PB-FHR. The PB-FHR concept utilizes pebble-form TRISO fuel and FLiBe salt coolant to provide robust barriers to the release of almost all fission products and radiological source terms. However, tritium poses a unique radiological risk due to its significant production from neutron interactions with 6 Li and 9 Be in the FLiBe as well as its high mobility at elevated temperatures where it can permeate through structural metals. Secondly, the use of graphite at elevated temperatures poses the risk of oxidation damage to any structural components or fuel pebbles that are exposed to accidental air ingress. This report summarizes progress made in modeling these phenomena in SAM, which leverages the system-level multi-physics thermal hydraulic simulation to support an effective engineering-scale source term modeling capability. A tritium transport model is developed to simulate the various transport pathways in FHR and MSR concepts and is presented through verification and validation examples as well as demonstrations simulating experimental test loops and reference plant FHR models. A graphite oxidation model is also introduced to calculate local oxidation rates and is presented with initial validation results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

EV Champion Training Webinar 1: ZEV and EV Charging Fundamentals [Slides]

The Electric Vehicle (EV) Champion Training Series, hosted by the National Renewable Energy Laboratory (NREL), is tailored for fleet managers, facility managers, and other stakeholders involved in the deployment of EVs and charging stations. This series equips participants with the skills and knowledge necessary to become subject matter experts in EV implementation. This is the first training in a four-part series and serves as an introductory training. This training covers fundamental topics such as EV and charging technology, utility basics, and financial considerations for EVs. Additionally, this session introduces the Federal Fleet ZEV Ready Center framework, a one-stop location for federal fleet electrification resources. Participants will gain a solid foundation to support the effective deployment and management of EVs and their infrastructure. Visit the Federal Fleet ZEV Ready Center website to learn more about the ZEV Ready Center process. EV Champion Training Webinar 1: ZEV and EV Charging Fundamentals will enable attendees to: Identify EV and EV charging technology fundamentals; Recognize EV market and GSA Schedule options; Identify utility basics, incentives, and rates as they relate to EV charging; and Identify methods to calculate life cycle costs for EVs and gasoline vehicles.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2025

EV Champion Training Webinar 2: ZEV and EV Charging Planning [Slides]

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Accelerator Physics at NSLS-II: Research Accomplishments in 2024

NSLS-II accelerator physicists advanced the operational performance and scientific capabilities of NSLS-II, providing regular lattice characterization and correction, injec tion optimization, vertical emittance control, and beam dynamics reports with corre lation analysis. We further developed advanced lattice characterization techniques and studies on impedance, beam-induced heating, and higher-harmonic RF cavity effects to support NSLS-II and its high-brightness upgrade. The assessment of free-electron laser options for the NSLS-II upgrade has been completed. We carried out comprehensive studies focused on complex bend magnets and novel efficient injection schemes for next-generation low-emittance synchrotrons. We contributed to the Electron-Ion Collider project, including Electron Storage Ring lattice design, beam diagnostics, and injector studies. The physicists participated in international collaborations, including the development of Python-based Middle Layer software, and participated in key accel erator physics workshops and scientific meetings. The main research accomplishments achieved in 2024 are summarized in this report.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

V-INT: Automated Vulnerability Intelligence and Risk Assessment

The project team, including the University of Arkansas (UA) as the lead, the University of Arkansas at Little Rock (UALR), Network Perception (NP), and Bastazo, has successfully researched, developed, and demonstrated the V-INT toolset, and also integrated it into the commercial products of NP (i.e., NP-View) and Bastazo (i.e., Spartan). The end product is a cybersecurity software tool for energy utilities that can automatically assess the risks of software vulnerabilities in an organization’s assets considering the organization’s firewall policies. It allows security operators to identify the small portion of vulnerabilities that poses true threats to their system (i.e., those that are not protected by firewall policies) and prioritize the mitigation of these vulnerabilities to minimize risks. It also allows security operators to identify the vulnerability-induced attack paths under their organization’s firewall policy, providing effective decision supports for mitigating potential attacks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

JUMP Into STEM 2018-2025: Challenge Highlights and Implementation Guidance

Building sciences and technology directly impact human health, productivity, and resource consumption (e.g., energy and critical minerals). Addressing emerging challenges in this field requires skilled building science professionals. JUMP into STEM sought to inspire the next generation of building scientists through a real-world competition that introduced participants to the field and connected them with national laboratory and industry professionals. This report highlights select challenges from past competitions which are tailored for academic and industry professionals who aim to develop or recruit multidisciplinary talent. It also includes additional guidance to support the effective replication of these challenges.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗