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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 sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Realizing a topological diode effect on the surface of a topological Kondo insulator

Introducing the concept of topology into material science has sparked a revolution from classic electronic and optoelectronic devices to topological quantum devices. The latter has potential for transferring energy and information with unprecedented efficiency. Here, we demonstrate a topological diode effect on the surface of a three-dimensional material, SmB 6 , a candidate topological Kondo insulator. The diode effect is evidenced by pronounced rectification and photogalvanic effects under electromagnetic modulation and radiation at radio frequency. Our experimental results and modeling suggest that these prominent effects are intimately tied to the spatially inhomogeneous formation of topological surface states (TSS) at the intermediate temperature. This work provides a manner of breaking the mirror symmetry (in addition to the inversion symmetry), resulting in the formation of pn-junctions between puddles of metallic TSS. Further, this effect paves the way for efficient current rectifiers or energy-harvesting devices working down to radio frequency range at low temperature, which could be extended to high temperatures using other topological insulators with large bulk gap.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Characterizing W sources in the all-W wall, all-RF WEST tokamak environment

In this work, experimental data, together with interpretive modeling tools, are examined to study trends in the tungsten (W) source in the all-W environment of the WEST tokamak, both from the divertor and from the main chamber. In particular, a poloidal limiter protecting an ion cyclotron resonance heating (ICRH) antenna is used as proxy for main chamber sourcing. The key study is carried out by stepping up lower hybrid current drive (LHCD) power, as the only auxiliary power source. Limiter and divertor W sources exhibit a qualitatively similar proportionality to the total power crossing the separatrix, P SEP , although the main chamber source remains substantially lower than the divertor source, for the range of P SEP accessible in the experiments. Intepretive modeling of the limiter source is carried out with a particle-in-cell (PIC) sheath model coupled to a surface sputtering model. Oxygen is used as a proxy for all light impurity species allowing for characterization of the critical W erosion regions. To get a good quantitative match to the data, it is necessary to assume that the oxygen arrives at the surface mostly at high ionization stages (4+ and above). A separate simulation with SOLEDGE-EIRENE, constrained to measured upstream scrape-off-layer plasma profiles, gives oxygen fractional abundances that are compatible with the PIC simulation result. This is understood to arise from transport processes that dominate over recombination. Substituting the LHCD by ICRH, in an equivalent experiment, the local W source exhibits a 3× enhancement. This can be matched by the simulation, by assuming local RF electric field rectification, based on ~100 eV peak-to-peak, near-antennna electric field. This work has highlighted the particular importance of understanding the ion charge state balance of light impurities as these are most likely the dominant sputtering species in fusion devices with high-Z walls.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The geometry of the ICRF-induced wave–SOL interaction. A multi-machine experimental review in view of the ITER operation

As a part of ITPA-Integrated Operational Scenario activities, this contribution reviews recent experimental characterizations of radio-frequency (RF)-induced scrape-off layer (SOL) modifications of various tokamaks worldwide and of the LArge Plasma Device at UCLA. The phenomenology, as observed using a large variety of measurement techniques, is consistent with expectations from RF sheath rectification. Emphasis is then put on the complex three-dimensional (3D) spatial patterns of the RF–SOL interaction, in relation to the magnetic topology and the spatial distribution of RF currents over the metallic structures surrounding the RF wave launchers. Dependence on the local plasma parameters in the antenna vicinity is also briefly addressed. The final part discusses implications for future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Impact of proton irradiation on 4H-SiC Low Gain Avalanche Detectors (LGADs)

Silicon carbide (SiC) particle detectors have the potential to provide time resolutions and robust performance in extreme environments which exceed that of silicon detectors. In this work 4H-SiC low gain avalanche detectors (LGADs) and complementary PiN diodes were irradiated with 2.5 GeV protons at fluences up to 3.33 × 10 14 p/cm 2 . The electrostatic performance of both irradiated and non-irradiated devices was evaluated using I-V and C-V measurements. Moreover, charge collection measurements using α particles were also conducted. SiC LGADs displayed a loss in rectification, high ON-state resistances >10 10 Ω-cm 2 , and the complete removal of gain when exposed to the highest proton fluence. Additionally, the reductions in capacitance and OFF-state current pointed to compensation of the gain layer as a gain reducing mechanism. The introduction of radiation-induced defects also hinders carrier acceleration, which reduces impact ionization and further gain reduction. LGADs exposed to a fluence of 1 × 10 14 p/cm 2 experienced a partial recovery in gain (originally having a value of ∼ 2) with a value of ∼ 1.65 when applying a bias of 500 V. Charge trapping was also seen in the reduction of charge collection efficiency (CCE) to ∼ 65% for the PiN diode. However, despite the reduction in device performance, the demonstration of a measurable signal after irradiation points to the potential of SiC LGAD detectors for future high energy physics applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

High-performance nanodevices based on WGe 2⁢ N 4 monolayer

Two-dimensional (2D) 𝑀⁢𝐴 2 ⁢𝑍 4 -family monolayers (MLs) have emerged as promising semiconductors due to their element tunability and rich electronic and optoelectronic properties. In this work, using first-principles calculations, we investigate the electronic, mechanical, transport, and optoelectronic properties of WGe 2⁢ N 4 ML with a small indirect bandgap. Various nanodevices based on WGe 2 ⁢N 4 ML are studied, including pn-junction diodes, pin-junction field-effect transistors (FETs), and phototransistors. The present results reveal that the WGe 2⁢ N 4 ML exhibits high rigidity, thermal stability, and remarkable light absorption. These nanodevices demonstrate excellent performance: (1) the pn-junction diode shows a high rectification ratio and a near-Shockley-limit ideality factor, (2) the pin-junction FET exhibits significant gate voltage modulation capability with subthreshold swing as low as 71 mV/dec (close to the theoretical limit calculated based on the Boltzmann distribution), and (3) the phototransistor displays strong optoelectronic responses in the visible and ultraviolet regions. Furthermore, these findings establish WGe 2 ⁢N 4 ML as a versatile platform for developing high-performance, multifunctional nanoelectronic and optoelectronic devices, significantly expanding the application potential of 𝑀⁢𝐴 2⁢ 𝑍 4 -family materials.

2-dimensional systems↗
DOE OSTI2023

Coupled magnetostructural continuum model for multiferroic BiFeO 3

Here, a continuum approach to study magnetoelectric multiferroic BiFeO 3 (BFO) is proposed. Our modeling effort marries the ferroelectric (FE) phase field method and micromagnetic simulations to describe the entire multiferroic order parameter sector (polarization, oxygen antiphase tilts, strain, and magnetism) self-consistently on the same time- and length scale. In this paper, we discuss our choice of FE and magnetic energy terms and demonstrate benchmarks against known behavior. We parametrize the lowest order couplings of the structural distortions against previous predictions from density functional theory calculations giving access to simulations of the FE domain wall (DW) topology. This allows us to estimate the energetic hierarchy and thicknesses of the numerous structural DWs. We then extend the model to the canted antiferromagnetic order and demonstrate how the FE domain boundaries influence the resulting magnetic DWs. We also highlight some capabilities of this model by providing two examples relevant for applications. We demonstrate spin-wave transmission through the multiferroic domain boundaries which identify rectification in qualitative agreement with recent experimental observations. As a second example of application, we model fully dynamical magnetoelectric switching, where we find a sensitivity on the Gilbert damping with respect to switching pathways. We envision that this modeling effort will set the basis for further work on properties of arbitrary 3D nanostructures of BFO (and related multiferroics) at the mesoscale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Stripe and bubble ratchets on asymmetric substrates

We show that various nonmonotonic ratchet effects can arise when mesophase pattern-forming systems, which exhibit anisotropic crystal, stripe, and bubble regimes, are coupled to one-dimensional asymmetric substrates under ac driving. The patterns emerge in the absence of a substrate when the ratio of attraction to repulsion is varied for particles with competing short-range attraction and long-range repulsion potentials. In the presence of the substrate, we find that the ratchet efficiency varies nonmonotonically with increasing attraction, depending upon how well the mesophase morphology matches the substrate spacing and periodicity. For strong repulsion, there is a weak but finite ratchet effect, while at intermediate attraction, there is a robust ratchet effect in which the system forms stripes aligned with the substrate symmetry direction. For strong attraction, large bubbles appear that have weak or no ratchet effects when the bubble width exceeds the substrate lattice spacing, causing the bubble to be only weakly coupled to the substrate. For very strong attraction, small bubbles form and undergo a strong ratchet effect with an efficiency that oscillates as a function of ac drive amplitude. Although the small bubble regime is a strongly correlated regime in which each bubble contains many particles, the system behaves as if it is in a single-particle regime since the bubble width is much smaller than the substrate lattice spacing. We map out the different rectification phases as a function of the pattern morphology, substrate strength, and ac drive amplitude. The pronounced ratchet effects that we observe in some regimes can be exploited for pattern sorting in hard and soft matter systems. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Scaling Automatic Vector Data Alignment to Satellite Imagery

Given the tremendous volume of accessible Earth Observation (EO) data, there is a need to develop scalable Geospatial Artificial Intelligence (GeoAI) solutions for time-sensitive applications. Scalability in this context refers to rapidly processing large-scale EO data using high performance computing resources. Accurate mapping of the built environment from remote sensing (RS) imagery has been one of the crucial components in GeoAI workflows for a wide spectrum of humanitarian applications. Derived vector data of built environment is often leveraged for disaster preparedness and response activities. However, factors such as differences in ortho-rectification, atmospheric conditions and human error, results in spatial misalignment between vector data and the timely available RS imagery. Model training for downstream tasks such as object detection, change analysis, etc., is negatively impacted due to such spatial misalignment. Although there has been progress towards automatic alignment of vector data, the lack of scalability remains an open research challenge. This paper proposes to leverage parallel computing to optimize an automatic vector data alignment workflow. It further employs CPU-level multi-core parallelism for improving the performance of the workflow for scalable built environment mapping. We report observations and discuss findings from the preliminary experiments performed on the Summit Supercomputer.

Potnis, Abhishek↗
DOE OSTI2024

A Digital Twin Framework for Liquid-cooled Supercomputers as Demonstrated at Exascale

We present ExaDigiT, an open-source framework for developing comprehensive digital twins of liquid-cooled supercomputers. It integrates three main modules: (1) a resource allocator and power simulator, (2) a transient thermo-fluidic cooling model, and (3) an augmented reality model of the supercomputer and central energy plant. The framework enables the study of "what-if" scenarios, system optimizations, and virtual prototyping of future systems. Using Frontier as a case study, we demonstrate the framework's capabilities by replaying six months of system telemetry for systematic verification and validation. Such a comprehensive analysis of a liquid-cooled exascale supercomputer is the first of its kind. ExaDigiT elucidates complex transient cooling system dynamics, runs synthetic or real workloads, and predicts energy losses due to rectification and voltage conversion. Throughout our paper, we present lessons learned to benefit HPC practitioners developing similar digital twins. We envision the digital twin will be a key enabler for sustainable, energy-efficient supercomputing.

Brewer, Wes↗
DOE OSTI2023

A Machine Learning–Based Tire Life Prediction Framework for Increasing Life of Commercial Vehicle Tires

In the commercial freight industry, tire retreading decisions are often conservative due to limited knowledge of a tire’s remaining service life. This practice leads to increased costs and material waste. This paper proposes a machine learning–based approach for estimating tire casing life and retreadability, focusing on usage data rather than wear information. This approach could extend the tire’s lifespan and reduce landfill waste. Data integration from diverse tire casing measurement sources presents challenges, including imbalanced removal data. Our methodology addresses these challenges by using historical inspection, telematics, and finite element modeling (FEM) datasets. We introduce “Tire Casing Energy” as a comprehensive usage input and apply a Variance-Reduction Synthetic Minority Oversampling Technique (VR-SMOTE) for data imbalance rectification. A random forest model is used to estimate the state of the tire casing and the casing removal probability, with Bayesian optimization applied for hyperparameter tuning, enhancing model accuracy. Here, the proposed prediction framework is able to differentiate different truck fleets and tire locations based on their usage parameters. With the aid of this machine learning model, the importance and sensitivity of different tire usage parameters can be obtained, which is beneficial to maximize tire life.

Data balancing↗
DOE OSTI2022

Review of recent studies on nanoscale electrical junctions and contacts: Quantum tunneling, current crowding, and interface engineering

The study of charge carrier transport at nanoscale electrical contacts is crucial for the development of next-generation electronics. In this study, we review recent modeling efforts on quantum tunneling, current crowding, and contact resistance across electrical interfaces with nanometer scale dimensions. A generalized self-consistent model for quantum tunneling induced electron transport in metal–insulator–metal (MIM) junctions is summarized. Rectification of a dissimilar MIM junction is reviewed. A modified two-dimensional (2D) transmission line model is used to investigate the effects of spatially varying specific contact resistivity along the contact length. The model is applied to various types of electrical contacts, including ohmic contacts, MIM junction based tunneling contacts, and 2D-material-based Schottky contacts. Roughness engineering is recently proposed to offer a possible paradigm for reducing the contact resistance of 2D-material-based electrical contacts. Contact interface engineering, which can mitigate current crowding near electrical contacts by spatially designing the interface layer thickness or properties, without requiring an additional material or component, is briefly reviewed. Tunneling engineering is suggested to eliminate severe current crowding in highly conductive ohmic contacts by introducing a thin tunneling layer or gap between the contact members. Furthermore, unsolved problems and challenges are also discussed.

2D materials↗
DOE OSTI2023

Ultrawide bandgap vertical β-(Al x Ga1 −x )2O3 Schottky barrier diodes on free-standing β-Ga2O3 substrates

Ultrawide bandgap β-(AlxGa1−x)2O3 vertical Schottky barrier diodes on (010) β-Ga2O3 substrates are demonstrated. The β-(AlxGa1−x)2O3 epilayer has an Al composition of 21% and a nominal Si doping of 2 × 1017 cm−3 grown by molecular beam epitaxy. Pt/Ti/Au has been employed as the top Schottky contact, whereas Ti/Au has been utilized as the bottom Ohmic contact. The fabricated devices show excellent rectification with a high on/off ratio of ∼109, a turn-on voltage of 1.5 V, and an on-resistance of 3.4 mΩ cm2. Temperature-dependent forward current-voltage characteristics show effective Schottky barrier height varied from 0.91 to 1.18 eV while the ideality factor from 1.8 to 1.1 with increasing temperatures, which is ascribed to the inhomogeneity of the metal/semiconductor interface. The Schottky barrier height was considered a Gaussian distribution of potential, where the extracted mean barrier height and a standard deviation at zero bias were 1.81 and 0.18 eV, respectively. A comprehensive analysis of the device leakage was performed to identify possible leakage mechanisms by studying temperature-dependent reverse current-voltage characteristics. At reverse bias, due to the large Schottky barrier height, the contributions from thermionic emission and thermionic field emission are negligible. By fitting reverse leakage currents at different temperatures, it was identified that Poole–Frenkel emission and trap-assisted tunneling are the main leakage mechanisms at high- and low-temperature regimes, respectively. Electrons can tunnel through the Schottky barrier assisted by traps at low temperatures, while they can escape these traps at high temperatures and be transported under high electric fields. This work can serve as an important reference for the future development of ultrawide bandgap β-(AlxGa1−x)2O3 power electronics, RF electronics, and ultraviolet photonics.

Materials Science↗
DOE OSTI2024

Electro-physical properties of surface-barrier diodes on low-resistance n-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 crystals

The electro-physical properties of Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 n-type conductivity single crystals with relatively low resistivity were studied. The determined resistivity of semiconductor single crystals Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 n-type conductivity is equal to ρ≈2 Ω-cm at 293K. The activation energy of dark conductivity, measured from the temperature dependence of the resistivity of the In/Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 /In structure, is equal to ΔE≈0.11eV. From optical measurements of the absorption coefficient from the energy of photons in the region of large α, the band-gap width of the single crystal was found, which is equal to E g =1.53eV. Diode structures of Ni/Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 /In obtained by vacuum sputtering of Ni on the surface of a single crystal n-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 were manufactured and studied. Here, the rectification coefficient at a voltage of U=1V is equal to 10 8 . Within the framework of the Sah-Noys-Shockley carrier generation-recombination model, a quantitative match of the experimental measurements of the volt-ampere characteristics with the calculation was achieved.

(Cd,Mn)(Te,Se)↗
DOE OSTI2022

Atomic-scale quantum sensing based on the ultrafast coherence of an H 2 molecule in an STM cavity

A scanning tunneling microscope (STM) combined with a pump-probe femtosecond terahertz (THz) laser can enable coherence measurements of single molecules. We report THz pump-probe measurements that demonstrate quantum sensing based on a hydrogen (H 2 ) molecule in the cavity created with an STM tip near a surface. Atomic-scale spatial and femtosecond temporal resolutions were obtained from this quantum coherence. The H 2 acts as a two-level system, with its coherent superposition exhibiting extreme sensitivity to the applied electric field and the underlying atomic composition of the copper nitride (Cu 2 N) monolayer islands grown on a Cu(100) surface. We acquired time-resolved images of THz rectification of H 2 over Cu 2 N islands for variable pump-probe delay times to visualize the heterogeneity of the chemical environment at sub-angstrom scale.

Science & Technology - Other Topics↗
DOE OSTI2021

The Effect of an Equatorial Continent on the Tropical Rain Belt. Part 1: Annual Mean Changes in the ITCZ

The TRACMIP (Tropical Rain Belts with an Annual Cycle and Continent Model Intercomparison Project) ensemble includes slab-ocean aquaplanet controls and experiments with a highly idealized tropical continent, characterized by modified aquaplanet grid cells with increased evaporative resistance, increased albedo, reduced heat capacity, and no ocean heat transport (zero Q-flux). In the annual mean, an equatorial cold tongue develops west of the continent and induces dry anomalies and a split in the oceanic intertropical convergence zone (ITCZ). Ocean cooling is initiated by advection of cold, dry air from the winter portion of the continent; warm, humid anomalies in the summer portion are restricted to the continent by anomalous surface convergence. The surface energy budget suggests that ocean cooling persists and intensifies because of a positive feedback between a colder surface, drier and colder air, reduced downwelling longwave (LW) flux, and enhanced net surface LW cooling (LW feedback). A feedback between wind, evaporation, and SST (so-called WES feedback) also contributes to the establishment and maintenance of the cold tongue. Simulations with a gray-radiation model and simulations that diverge from protocol (with negligible winter cooling) confirm the importance of moist-radiative feedbacks and of rectification effects on the seasonal cycle. This mechanism coupling the continental and oceanic climate might be relevant to the double ITCZ bias. The key role of the LW feedback suggests that the study of interactions between monsoons and oceanic ITCZs requires full-physics models and a hierarchy of land models that considers evaporative processes alongside heat capacity as a defining characteristic of land.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Directed self-assembly of block copolymers for high-precision patterning in the era of extreme ultraviolet lithography

Extreme ultraviolet (EUV) lithography enables unprecedented resolution in semiconductor patterning but faces critical challenges in developing resist materials that achieve high-precision at economically viable throughput. Directed self-assembly (DSA) of block copolymers (BCPs) offers a promising solution for pattern rectification by leveraging thermodynamically determined domain structures to decouple BCP pattern quality from the imperfect original lithographic pattern. This prospective presents an overview of recent progress on the EUV + DSA strategy, covering advances in BCP material design, processing, metrology, and pattern transfer. We highlight recent advances in high-χ BCPs with perpendicular orientation and domain spacings compatible with EUV dimensions, leveraging A-b-(B-r-C) architectures. We also discuss progress in chemical pre-pattern fabrication using both positive- and negative tone resists, along with processing strategies to minimize defects and roughness based on BCP thermodynamics and assembly kinetics. We further examine metrology platforms for characterizing the thermodynamics of BCP materials and quantifying the size and shape of BCP domains. Lastly, we review pattern transfer strategies for generating functional inorganic masks suitable for semiconductor manufacturing. Together, these advances highlight the potential of DSA to complement EUV lithography, offering a pathway to address critical challenges in achieving high-precision patterning for the semiconductor industry.

Lee, Kyunghyeon [Univ. of Chicago, IL (United Stat↗
DOE OSTI2023

Predictive Theory of Topological States of Matter (Final Report for DOE Award DE-SC0018945)

This DOE award supported the PI’s research on topological quantum materials between 2018 and 2021. The PI developed predictive theories for new classes of topological insulators and topological/unconventional superconductors and identified their material realizations in collaboration with experimentalists. The PI theorized new topological transport phenomena, including spin superfluidity in moire materials and the superconducting diode effect. Topological transport phenomena have potential applications in cryogenic computing, low-power electronics, high-frequency rectification, infrared detection, energy harvesting and thermoelectric application. By discovering new quantum materials and new functional properties, the PI’s research contributed significantly to the advancement of DOE scientific and technological base, especially in energy frontier research.

36 MATERIALS SCIENCE↗