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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tuning Interface Electronic Properties via Chiral Two‐Dimensional Metal‐Organic Frameworks

Control over structural symmetries in nanomaterials offers a powerful approach to engineer electronic properties. For instance, breaking of mirror symmetries in two-dimensional (2D) materials with a hexagonal lattice can lead to nontrivial electronic topologies and correlated-electron phenomena. Yet, the impact of structural chirality on the electronic properties of 2D materials and interfaces remains underexplored. Here, how chiral phases of a 2D metal-organic framework (MOF) with a hexagonal lattice—consisting of hexaazatriphenylene molecules coordinated to Cu atoms—scatter, confine, and perturb the Shockley surface state (SS) electrons of an underlying Ag(111) substrate is investigated. Via low-temperature scanning tunneling microscopy and spectroscopy, noncontact atomic force microscopy, and numerical calculations based on an electronic plane-wave expansion method, modifications of the Ag(111) SS band structure are shown and quantified, including gap openings and lifts of band degeneracies, driven exclusively by the structural chirality of the 2D MOF phases. These findings highlight how structural symmetries, in particular chirality, affect electronic states at material interfaces, expanding on the toolkit for designing 2D materials with tailored electronic properties.

band structure engineering↗
DOE OSTI2024

Dynamic flux surrogate-based partitioned methods for interface problems

Loosely coupled partitioned methods for multiphysics problems treat each subproblem as a separate entity and advance them independently in time. In so doing these methods enable code reuse, increase concurrency and provide a convenient framework for plug-and-play multiphysics simulations. However, mathematically loosely coupled schemes are equivalent to a single step of an iterative solution method, which can compromise their accuracy and stability. We present a new data-driven partitioned method for coupled parametric PDEs that can improve upon the accuracy of traditional loosely coupled methods without incurring a performance penalty. To that end, we replace conventional field transfers across the interface by a surrogate for the dynamics of the interface flux exchanged between the subdomains. To develop this surrogate we apply dynamic mode decomposition to a non-standard staggered-in-time state, comprising the interface flux and small solution patches near the interface. The new approach shifts the main computational burden to an offline training phase, whereas application of the surrogate in the online phase amounts to a single matrix–vector multiplication. In conclusion, we provide stability analysis of the surrogate-based partitioned scheme and include numerical results that demonstrate its potential.

Dynamic mode decomposition (DMD)↗
DOE OSTI2024

Human Machine Interface and Controls Development for a Medium Voltage Solid State Transformer

The demand for a more capable electric power grid has increased due to greater energy generation and consumption. • Controlling energy flow bidirectionally with new technologies such as solid state transformers can meet this demand, improving power quality, efficiency, and grid security. • A human machine interface was created to control a medium voltage solid state transformer.

Rafferty, Ezekiel↗
DOE OSTI2024

Extended spin relaxation times of optically addressed vanadium defects in silicon carbide at telecommunication frequencies

Optically interfaced solid-state defects are promising candidates for quantum communication technologies. The ideal defect system would feature bright telecom emission, long-lived spin states, and a scalable material platform, simultaneously. Here, in this study, we use one such system, vanadium (V 4+ ) in silicon carbide, to establish a potential telecom spin-photon interface within a mature semiconductor host. This demonstration of efficient optical spin polarization and readout facilitates all-optical measurements of temperature-dependent spin relaxation times (T 1 ). By using this technique, and lowering the temperature from approximately 2 K to approximately 100 mK, we observe a remarkable 4-orders-of-magnitude increase in spin T 1 across all measured sites, with site-specific values ranging from 57.1 ms to 27.9 s. Furthermore, we identify the underlying relaxation mechanisms, which involve a two-phonon Orbach process, indicating the opportunity for strain tuning to enable qubit operation at higher temperatures. These results position V 4+ in SiC as a prime candidate for scalable quantum nodes in future quantum networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2001

Decohesion Elements using Two and Three-Parameter Mixed-Mode Criteria

An eight-node decohesion element implementing different criteria to predict delamination growth under mixed-mode loading is proposed. The element is used at the interface between solid finite elements to model the initiation and propagation of delamination. A single displacement-based damage parameter is used in a softening law to track the damage state of the interface. The power law criterion and a three-parameter mixed-mode criterion are used to predict delamination growth. The accuracy of the predictions is evaluated in single mode delamination and in the mixed-mode bending tests.

Davila, Carlos G.↗
NASA NTRS1980

Chemical depth profiles of the GaAs/native oxide interface

The final-state oxidation products and their distribution in thin native oxides (30-40 A) on GaAs have been studied using X-ray photoelectron spectroscopy in conjunction with chemical depth profiling. Extended room-temperature-oxidation conditions have been chosen to allow the native oxide to attain its equilibrium composition and structure. The work emphasizes the use of chemical depth-profiling methods which make it possible to examine the variation in chemical reactivity of the oxide structure. A minimum of two distinct regions of Ga2O3 with differing chemical reactivity is observed. Chemical shift data indicate the presence of As2O3 in the oxide together with an elemental As overlayer at the interface. A change in relative charge transfer between oxygen and both arsenic and gallium-oxide species is observed in the region of the interface.

Grunthaner, P. J.↗
NASA NTRS2001

Mixed-Mode Decohesion Elements for Analyses of Progressive Delamination

A new 8-node decohesion element with mixed mode capability is proposed and demonstrated. The element is used at the interface between solid finite elements to model the initiation and propagation of delamination. A single displacement-based damage parameter is used in a strain softening law to track the damage state of the interface. The method can be used in conjunction with conventional material degradation procedures to account for inplane and intra-laminar damage modes. The accuracy of the predictions is evaluated in single mode delamination tests, in the mixed-mode bending test, and in a structural configuration consisting of the debonding of a stiffener flange from its skin.

Davila, Carlos G.↗
DOE OSTI2024

Developing a Robust Market for CHP: A Plan for Fostering Economic Development, Business Competitiveness and Resiliency in the Mid-Atlantic Region

The Department of Energy’s Mid Atlantic Combined Heat and Power Technical Assistance Partnership (MA CHP TAP) was established to develop public-private partnerships to advance the technology, policies, and programmatic support for combined heat and power (CHP), including its application in microgrids, heat to power and district energy. The MA CHP TAP’s work includes education and outreach as well as technical assistance to a variety of stakeholders including end-users (commercial, industrial, institutional and more), state decision makers, electric and gas utilities, trade associations and non-profit organizations. This assistance includes evaluating the economic, energy, reliability and environmental value of proposed systems. The MA CHP TAP represents the multi-state Mid- Atlantic region and is the CHP expert in the region who provides fact-based, un-biased information on CHP, including technologies, project development, project financing, local electric and natural gas utility interfaces, and related state best practice policies.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)

Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, and understanding the biogeochemical factors controlling these exchanges, particularly iron (Fe) redox transformations, is crucial for predicting coastal ecosystem functions. Here, we investigated the mechanisms controlling Fe speciation changes across upland-to-shoreline gradients in freshwater and estuarine soils using Fe K-edge X-ray absorption spectroscopy, solid and porewater composition analysis, and 16S rRNA sequencing analysis. We show that Fe transformations depend primarily on inundation patterns. In unsaturated uplands, Fe occurs as Fe(III) oxyhydroxides, mainly goethite (9–35 %), Fe(II,III)-phyllosilicates (39–89 %), and Fe(III)-organic species (0–61 %). Soils influenced by estuarine waters exhibit porewater sulfide concentrations reaching up to 221 μM, Fe- and S-cycling bacteria, and up to 81 % pyrite (FeS 2 ), indicating that sulfur-driven redox dynamics control Fe transformations. In lacustrine wetlands, Fe(III) reduction is indicated by porewater Fe(II) concentrations increasing to 1.0–2.1 mM, and ~10–15 % of Fe as Fe(II,III)-(hydr)oxides (green rust), vivianite (Fe 3 (PO 4 ) 2 ·8H 2 O), and/or adsorbed Fe(II) species. EXAFS data also indicate reduction of structural Fe(III) to Fe(II) in phyllosilicates. The presence of Fe- and S-cycling bacteria, as well as sulfide (0–10 μM), suggests that Fe-cycling is microbially driven and potentially coupled with cryptic S-cycling. Fe(II) oxidation was indicated above/near the water table by the presence of Fe(III) oxyhydroxides (ferrihydrite, lepidocrocite). Furthermore, negligible Fe(III) or sulfate reduction was observed at some water-saturated sites located at the upland-wetland transition, likely due to oxic (sub-)surface water inputs. Overall, our results highlight the importance of considering both Fe-speciation and hydro-biogeochemical dynamics when predicting Fe-cycling at coastal interfaces.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

How far away is plug 'n' play? Assessing the near-term potential of sonification and auditory display

The commercial music industry offers a broad range of plug 'n' play hardware and software scaled to music professionals and scaled to a broad consumer market. The principles of sound synthesis utilized in these products are relevant to application in virtual environments (VE). However, the closed architectures used in commercial music synthesizers are prohibitive to low-level control during real-time rendering, and the algorithms and sounds themselves are not standardized from product to product. To bring sound into VE requires a new generation of open architectures designed for human-controlled performance from interfaces embedded in immersive environments. This presentation addresses the state of the sonic arts in scientific computing and VE, analyzes research challenges facing sound computation, and offers suggestions regarding tools we might expect to become available during the next few years. A list of classes of audio functionality in VE includes sonification -- the use of sound to represent data from numerical models; 3D auditory display (spatialization and localization, also called externalization); navigation cues for positional orientation and for finding items or regions inside large spaces; voice recognition for controlling the computer; external communications between users in different spaces; and feedback to the user concerning his own actions or the state of the application interface. To effectively convey this considerable variety of signals, we apply principles of acoustic design to ensure the messages are neither confusing nor competing. We approach the design of auditory experience through a comprehensive structure for messages, and message interplay we refer to as an Automated Sound Environment. Our research addresses real-time sound synthesis, real-time signal processing and localization, interactive control of high-dimensional systems, and synchronization of sound and graphics.

Bargar, Robin↗
NASA NTRS2018

Verifying Interfaces and Generating Interface Control Documents for the Alignment and Phasing Subsystem of the Thirty Meter Telescope from a System Model in SysML

This paper presents a novel method for verifying interfaces and generating interface control documents (ICDs) from a system model in SysMLTM. In systems and software engineering, ICDs are key artifacts that specify the interface(s) to a system or subsystem, and are used to control the documentation of these interfaces. ICDs enable independent teams to develop connecting systems that use the specified interfaces. In the context of the Thirty Meter Telescope (TMT), interface control documents also act as contracts for delivered subsystems. The Alignment and Phasing system (APS) is one such subsystem. APS is required to implement a particular interface, and formulates requirements for the interfaces to be provided by other components of TMT that interface with APS. As the design of APS matures, these interfaces are frequently refined, making it necessary for related ICDs to be updated. In current systems engineering practice, ICDs are maintained manually. This manual maintenance can lead to a loss in integrity and accuracy of the documents over time, resulting in the documents no longer reflecting the actual state of the interfaces of a system. We show how a system model in SysMLTM can be used to generate ICDs automatically. The method is demonstrated through application to interface control documents pertaining to APS. Specifically, we apply the method to the interface of APS to the primary mirror control system (M1CS) and of APS to the Telescope Control System (TCS). We evaluate the newly introduced method through application to two case studies.

Troy, Mitchell↗
DOE OSTI2025

Molecular Interlocking Multidimensional Modulations of Cathode‐Electrolyte Interface for Constructing High Energy Density Quasi‐Solid‐State Batteries

Gel polymers are regarded as a promising candidate electrolyte for lithium-metal quasi-solid-state batteries, primarily due to their high ionic conductivity and solid-liquid synergistic properties. However, challenges such as interfacial side reactions, limitations in Li + transport caused by interfacial issues, and leaching of transition metals from the cathode have yet to be effectively solved. Herein, a novel gel electrolyte modulation strategy based on electrostatic filler assembly is proposed to address the issues of ineffective capacity utilization and inadequate cycling stability of high-energy-density cathode materials in solid-state lithium-ion batteries. It constructs a 3D interpenetrating charge-bridge network that effectively tackles the phase-separation challenge between fillers and electrolytes at the molecular level. Meanwhile, the molecular interlocking structure effectively inhibits the electrolyte erosion. More critically, it optimizes and stabilizes the cathode-electrolyte interface film, which facilitates the conduction of Li + -ions through a size-sieving mechanism. Consequently, this strategy enables effective adaptation across diverse high-energy-density cathode materials with satisfactory capacity performance (170.4 mAh g −1 at 4.5 V/1 C for LiNi 0.6 Co 0.2 Mn 0.2 O 2 and 194.0 mAh g −1 at 4.3 V/1 C for LiNi 0.9 Co 0.08 Mn 0.02 O 2 ). In conclusion, this investigation offers a straightforward and effective reference for addressing the critical challenges of ionic transport and interface stabilization in the design of gel electrolytes.

cathode-electrolyte interface↗
NASA NTRSDate not supplied

A Modular AC to DC Interface Converter to Enable Lunar Surface Power Transmission

NASA is developing technology to enable sustained operations on extraterrestrial planetary bodies such as the Moon and Mars. One fundamentally enabling technology is long-distance electrical power transmission. This paper describes the Universal Modular Interface Converter (UMIC), which connects 120 VDC space power equipment to a 3 kVAC grid, and is intended to enable kilometer-distance transmission of 1s to 10s of kW of electrical power to support Artemis and future lunar missions. Specifically, this paper describes the technology within the UMIC product, its electrical power interfaces, and the state of its development. It also describes initial hardware and simulation test results of the UMIC.

Planetary surface power↗
DOE OSTI2025

Modulating physicochemical interfaces enables li-rich oxides based ceramic solid-state li batteries under ambient conditions

Li-rich layered oxides exhibit promising potential applications in high-energy-density solid-state lithium metal batteries. Nevertheless, the strong oxidative oxygen species generate at high voltage, which poses great challenges to positive electrode-side interface stability. Herein, a robust in-situ polymerization gel polymer electrolyte with bifunctional additives is designed for interface modification. These additives, include lithium difluoro(oxalate) borate and LiPO 2 F 2 , regulate the Li + chemical environment in gel polymer electrolyte to enhance crosslink density without residual oligomer, which reduce gas generation and suppress contact loss, thus avoiding interfacial impedance divergence. Concurrently, the designed gel polymer electrolyte enables a wide electrochemical stability window (up to 4.7 V) and a high Li + transference number (0.82). Additionally, the additives induced F- and B-rich inorganic cathode-electrolyte interphase inhibits side reactions and oxygen/transition metal loss effectively, stabilizing the chemical interface. The as-constructed Li-rich layered oxides-based ceramic solid-state lithium metal batteries with gel polymer electrolyte interface modification exert a high discharge capacity of 276.5 mAh g -1 at 30 °C without external pressure, delivering a retention of 81.7% after 100 cycles at 25 mA g -1 during 2.0-4.7 V. This work provides a guideline for developing high-voltage solid-state lithium metal batteries via interfacial design.

Hu, Xinchao [Xiamen University (China)]↗
NASA NTRS1976

Fixed charge in Cr-metallized MOS capacitors

It is pointed out that the reported measurements are useful in a study of interface charge distributions. Measurements of surface-state density at the SiO2 interface given information concerning the effect of the layer thickness on the flat-band interface charge. Other measurements provide data for a determination of the silicon-silica flat-band interface charge, the metal-silica interface charge, and the difference in barrier energies at the interfaces. Measurements of Fowler-Nordheim currents as a function of oxide thickness can be used for the determination of charge distribution in the area next to the metal-silica interface. The investigation shows that the silicon-silica interface is independent of thickness down to thicknesses as low as 40 A.

Lewicki, G.↗
DOE OSTI2025

HPC for Optimizing Process Parameters to Control Material Evolution in Seamless Induction Hardening of Wind Turbine Main Shaft Bearings

Work proposed in this project focused on understanding the effect of martensitic transformation in the steel on the potential for cracking during seamless induction hardening (SIH) as a function of process conditions to allow the process to optimally scale up. Large-scale, three-dimensional phase-field simulations of martensitic transformation were performed using MEUMAPPS-SS (Microstructure Evolution Using Massively Parallel Phase-field Simulations – Solid State) code developed at Oak Ridge National Laboratory. The simulations were guided by location-specific thermal history generated by experimental measurements of time-temperature history generated at The Timken Company. The simulations were able to capture the morphological evolution of the martensite variants in an Fe-1.0C-1.5Cr steel based on the Nishiyama-Wasserman (NW) orientation relationship. The simulations were also able to quantify the stress-state at the interface between impinging martensite variants. The simulations indicated that the magnitude of the various stress and strain components were dependent on the sizes of the impinging plates with a reduction in these quantities with reduced plate size in agreement with experimental findings. The results obtained from the simulations will be used to guide the optimization of the alloy thermal conditions to eliminate quench cracking during SIH of bearing steels.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

HPC for optimizing process parameters to control material evolution in seamless induction hardening of wind turbine main shaft bearings

Work proposed in this project focused on understanding the effect of martensitic transformation in the steel on the potential for cracking during seamless induction hardening (SIH) as a function of process conditions to allow the process to optimally scale up. Large-scale, three-dimensional phase-field simulations of martensitic transformation were performed using MEUMAPPS-SS (Microstructure Evolution Using Massively Parallel Phase-field Simulations – Solid State) code developed at Oak Ridge National Laboratory. The simulations were guided by location-specific thermal history generated by experimental measurements of time-temperature history generated at The Timken Company. The simulations were able to capture the morphological evolution of the martensite variants in an Fe-1.0C-1.5Cr steel based on the Nishiyama-Wasserman (NW) orientation relationship. The simulations were also able to quantify the stress-state at the interface between impinging martensite variants. The simulations indicated that the magnitude of the various stress and strain components were dependent on the sizes of the impinging plates with a reduction in these quantities with reduced plate size in agreement with experimental findings. The results obtained from the simulations will be used to guide the optimization of the alloy thermal conditions to eliminate quench cracking during SIH of bearing steels.

17 WIND ENERGY↗