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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Shapiro steps and stability of skyrmions interacting with alternating anisotropy under the influence of ac and dc drives

Here we use atomistic simulations to examine the sliding dynamics of a skyrmion in a two-dimensional system containing a periodic one-dimensional stripe pattern of variations between low and high values of the perpendicular magnetic anisotropy. The skyrmion changes in size as it crosses the interface between two anisotropy regions. On applying combined dc and ac driving in either parallel or perpendicular directions, we observe a wide variety of Shapiro steps, Shapiro spikes, and phase-locking phenomena. The phase-locked orbits have two-dimensional dynamics due to the gyrotropic or Magnus dynamics of the skyrmions and are distinct from the phase-locked orbits found for strictly overdamped systems. Along a given Shapiro step when the ac drive is perpendicular to the dc drive, the velocity parallel to the ac drive is locked while the velocity in the perpendicular direction increases with increasing drive to form Shapiro spikes. At the transition between adjacent Shapiro steps, the parallel velocity jumps up to the next step value, and the perpendicular velocity drops. The skyrmion Hall angle shows a series of spikes as a function of increasing dc drive, where the jumps correspond to the transition between different phase-locked steps. At high drives, the Shapiro steps and Shapiro spikes are lost. When both the ac and dc drives are parallel to the stripe periodicity direction, Shapiro steps appear, while if the dc drive is parallel to the stripe periodicity direction and the ac drive is perpendicular to the stripe periodicity, then there are only two locked phases, and the skyrmion motion consists of a combination of sliding along the interfaces between the two anisotropy values and jumping across the interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Coherent-Precipitation-Stabilized Phase Formation in Over-Stoichiometric Rocksalt-Type Li Superionic Conductors

Rationalizing synthetic pathways is crucial for material design and property optimization, especially for polymorphic and metastable phases. Over-stoichiometric rocksalt (ORX) compounds, characterized by their face-sharing configurations, are a promising group of materials with unique properties; however, their development is significantly hindered by challenges in synthesizability. Here, taking the recently identified Li superionic conductor, over-stoichiometric rocksalt Li–In–Sn–O (o-LISO) material as a prototypical ORX compound, the mechanisms of phase formation are systematically investigated. It is revealed that the spinel-like phase with unconventional stoichiometry forms as coherent precipitate from the high-temperature-stabilized cation-disordered rocksalt phase upon fast cooling. This process prevents direct phase decomposition and kinetically locks the system in a metastable state with the desired face-sharing Li configurations. This insight enables us to enhance the ionic conductivity of o-LISO to be >1 mS cm -1 at room temperature through low-temperature post-annealing. This work offers insights into the synthesis of ORX materials and highlights important opportunities in this new class of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Staphylococcus aureus vWF-binding protein triggers a strong interaction between clumping factor A and host vWF

The Staphylococcus aureus cell wall-anchored adhesin ClfA binds to the very large blood circulating protein, von Willebrand factor (vWF) via vWF-binding protein (vWbp), a secreted protein that does not bind the cell wall covalently. Here we perform force spectroscopy studies on living bacteria to unravel the molecular mechanism of this interaction. We discover that the presence of all three binding partners leads to very high binding forces (2000 pN), largely outperforming other known ternary complexes involving adhesins. Strikingly, our experiments indicate that a direct interaction involving features of the dock, lock and latch mechanism must occur between ClfA and vWF to sustain the extreme tensile strength of the ternary complex. Our results support a previously undescribed mechanism whereby vWbp activates a direct, ultra-strong interaction between ClfA and vWF. This intriguing interaction represents a potential target for therapeutic interventions, including synthetic peptides inhibiting the ultra-strong interactions between ClfA and its ligands.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Grid-tied Multilevel Inverter with Phase-locked Loop Algorithm

A multilevel inverter is an electronic device capable of changing direct current energy to alternant current energy with a voltage and frequency established by the user. They are ideal for connecting renewable energy sources to the AC grid, energy plants, and smart grids. The voltage must be balanced and synchronized with the electrical network for adequate performance. This paper shows the voltage synchronization between an inverter output voltage and the AC grid using a phase-locked loop based on an adaptive observer. The proposed algorithm can perform under grid uncertainties such as noise and generates a reference signal for the modulation used in the inverter. The algorithm is robust and computationally efficient and can be implemented through basic elements such as operational amplifiers, resistors, and capacitors, reducing its difficulty in executing it in a system.

42 ENGINEERING↗
DOE OSTI2026

Scientific Core Library Stack (SCLS) v2026

SCLS (Scientific Core Library Stack) is an opinionated build and packaging system for scientific computing libraries developed at Lawrence Berkeley National Laboratory. It produces a coherent, reproducible stack of numerical libraries — including BLAS/LAPACK, MPI, sparse direct and iterative solvers, graph partitioners, and parallel I/O libraries (e.g., PETSc, SLEPc, HDF5, NetCDF, MUMPS, OpenBLAS) — that work together without manual repair by downstream scientific software. From a single recipe-and-flavor model, SCLS produces native RPM packages for RHEL-family Linux, DEB packages for Debian/Ubuntu, direct Unix-style prefix installs for HPC and locked-down environments, and native macOS builds. Multiple build "flavors" (e.g., GCC+OpenBLAS, GCC+MKL, Intel+MKL, debug) coexist in distinct prefixes on the same host. Compared to general-purpose meta-build frameworks, SCLS is deliberately curated rather than infinitely configurable. It enforces deterministic, audit-friendly behavior: explicit build dependencies, no silent feature autodetection, a clear open-source license policy, and rpath-based runtime linkage so installs integrate cleanly with standard package-manager workflows.

Messe, Christian [Lawrence Berkeley National Labor↗
DOE OSTI2021

Post-Closure Report for Closed Resource Conservation and Recovery Act Corrective Action Units, Nevada National Security Site, Nevada: For Calendar Year 2020 (Rev. 2)

This report serves as the combined annual report for post-closure activities in compliance with the requirements listed in Resource Conservation and Recovery Act (RCRA) Permit Number NEV HW0101 associated with the following closed corrective action units (CAUs): 1) CAU 90, Area 2 Bitcutter Containment; 2) CAU 91, Area 3 U-3fi Injection Well; 3) CAU 92, Area 6 Decon Pond Facility; 4) CAU 110, Area 3 WMD U-3ax/bl Crater; 5) CAU 111, Area 5 WMD Retired Mixed Waste Pits; 6) CAU 112, Area 23 Hazardous Waste Trenches The locations of the sites are shown in Figure ES-1. This report covers calendar year 2020. The post-closure requirements for these sites are described in RCRA Permit NEV HW0101 and are summarized in each CAU-specific section of this report. The results of the inspections, a summary of maintenance activities, and an evaluation of monitoring data are presented in this report. Site inspections are conducted annually at CAUs 90, 91, and 112; semiannually at CAUs 92 and 110; and quarterly at CAU 111. Additional inspections are conducted at CAUs 92 and 111 if precipitation occurs in excess of 1.0 inch in a 24-hour period. Inspections include an evaluation of the condition of the units, including covers, fences, signs, gates, and locks. At CAUs 110 and 111, soil moisture monitoring and subsidence surveys are conducted in addition to the visual inspections. At CAU 110, the site fence, gate, lock, and use restriction signs are evaluated. At CAU 111, an ecological survey, direct radiation monitoring, air monitoring, radon flux monitoring, and groundwater monitoring are also conducted. This report will address all monitoring item notes above except groundwater monitoring. Groundwater monitoring is documented in the Nevada National Security Site Data Report: Groundwater Monitoring Program Area 5 Radioactive Waste Management Site. All required inspections, maintenance, and monitoring were conducted in accordance with the post-closure requirements of the permit. Revision 6 of RCRA Permit NEV HW0101 was issued effective December 10, 2015, and remained in effect until December 10, 2020. At the time of this report submittal, the new RCRA permit application was in review.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Hall Effect Study of the Metamagnetic Transition in the Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 Nanosheet

Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 shows a ferromagnetic (FM) transition at T C ~ 105 K with the magnetic easy axis in the ab plane, followed by a metamagnetic transition (MMT) at low temperatures when the magnetic field H is applied along the c axis, which is in sharp contrast to that of the pure Sr 4 Ru 3 O 10 , where the easy axis is along the c axis and the MMT is in the ab plane. Here, we studied the MMT in the Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 nanosheet by the Hall effect. It was found that the ordinary Hall coefficient of Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 is almost the same as that of the pure Sr 4 Ru 3 O 10 , while a sudden increase in the Hall resistance R xy is observed below ~50 K, above which the R xy presents the conventional anomalous Hall effect up to T C . Analysis of the results indicates that the MMT has no direct correlation to the electronic structure but closely relates to the magnetic moment locking, where the magnetic-field-induced breakdown of the locked moments is responsible for the MMT.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Weakening aerosol direct radiative effects mitigate climate penalty on Chinese air quality

Future climate change may worsen air quality in many regions. However, evaluations of this ‘climate penalty’ on air quality have typically not assessed the radiative effects of changes in short-lived aerosols. Additionally, China’s clean air goals will decrease pollutant emissions and aerosol loadings, with concomitant weakening of aerosol feedbacks. In this work, we assess how such weakened aerosol direct effects alter the estimates of air pollution and premature mortality in China attributable to mid-century climate change under Representative Concentration Pathway 4.5. We found that weakening aerosol direct effects cause boundary layer changes that facilitate diffusion. This reduces air-pollution exposure (~4% in fine particulate matter) and deaths (13,800 people per year), which largely offset the additional deaths caused by greenhouse gas-dominated warming. These results highlight the benefits of reduced pollutant emissions through weakening aerosol direct effects and underline the potential of pollution control measures to mitigate climate penalties locked in by greenhouse gas emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Spatio-temporal electric field distributions in an atmospheric plasma jet impinging on a microchannel array surface

The electric field distribution in the ionization waves (IWs) propagating over a microchannel array dielectric surface, with the channels either empty or filled with distilled water, is measured by ps electric field induced second harmonic generation. The surface IW is initiated by the atmospheric pressure N 2 –Ar plasma jet impinging on the surface vertically and powered by ns pulse discharge bursts. The results show that the electric field inside the microchannels, specifically its horizontal component, is enhanced by up to a factor of 2. The field enhancement region is localized within the channels. The vertical electric field inside the channels lags in time compared to the field measured at the ridges, indicating the transient reversal of the IW propagation direction across the channels (toward the jet). This is consistent with the phase-locked plasma emission images and confirmed by the kinetic modeling predictions, which show that the IW ‘jumps’ over the empty channels and propagates into the channels only after the jump between the adjacent ridges. When the channels are filled with water, the wave speed increases by up to 50%, due to the higher effective dielectric constant of the surface. No evidence of a significant electric field enhancement near the dielectric surface (ceramic or water) has been detected, within the spatial resolution of the present diagnostic, ~100 μ m.

plasmas and liquids↗
DOE OSTI2020

High power edge-cum-surface emitting terahertz laser arrays phased locked by vacuum guided plasmon waves

Terahertz semiconductor quantum-cascade lasers (QCLs) are widely implemented with metallic cavities that support low-loss plasmonic optical modes at long wavelengths. However, resonant optical modes in such cavities suffer from poor radiative characteristics due to their subwavelength transverse dimensions. Consequently, single-mode terahertz QCLs with metallic cavities and large (>100 mW) output power have only been realized in the surface-emitting configuration that affords a large radiating surface. Here, we demonstrate a method to enhance radiative outcoupling from such plasmonic lasers for high-power emission in the edge-emitting (end-fire or longitudinal) direction. Single-sided plasmon waves propagating in vacuum are resonantly excited in surrounding medium of metallic cavities with the QCL semiconductor medium. The vacuum guided plasmon waves with a large wavefront phase-lock multiple metallic cavities longitudinally, which leads to intense radiation in multiple directions, including that in the longitudinal direction in a narrow single-lobed beam. The multicavity array radiates predominantly in a single spectral mode. A peak-power output of 260 mW and a slope efficiency of 303 mW/A are measured for the end-fire beam from a 3.3 THz QCL operating at 54 K in a Stirling cooler. Finally, single-mode operation and lithographic tuning across a bandwidth of ~150 GHz are demonstrated.

42 ENGINEERING↗
DOE OSTI2020

Acoustic Energy Release During the Laboratory Seismic Cycle: Insights on Laboratory Earthquake Precursors and Prediction

Abstract Machine learning can predict the timing and magnitude of laboratory earthquakes using statistics of acoustic emissions. The evolution of acoustic energy is critical for lab earthquake prediction; however, the connections between acoustic energy and fault zone processes leading to failure are poorly understood. Here, we document in detail the temporal evolution of acoustic energy during the laboratory seismic cycle. We report on friction experiments for a range of shearing velocities, normal stresses, and granular particle sizes. Acoustic emission data are recorded continuously throughout shear using broadband piezo‐ceramic sensors. The coseismic acoustic energy release scales directly with stress drop and is consistent with concepts of frictional contact mechanics and time‐dependent fault healing. Experiments conducted with larger grains (10.5 μm) show that the temporal evolution of acoustic energy scales directly with fault slip rate. In particular, the acoustic energy is low when the fault is locked and increases to a maximum during coseismic failure. Data from traditional slide‐hold‐slide friction tests confirm that acoustic energy release is closely linked to fault slip rate. Furthermore, variations in the true contact area of fault zone particles play a key role in the generation of acoustic energy. Our data show that acoustic radiation is related primarily to breaking/sliding of frictional contact junctions, which suggests that machine learning‐based laboratory earthquake prediction derives from frictional weakening processes that begin very early in the seismic cycle and well before macroscopic failure.

58 GEOSCIENCES↗
DOE OSTI2022

A 20 Gbps PAM4 data transmitter ASIC for particle physics experiments

We present the design and test results of a novel data transmitter ASIC operating up to 20.48 Gbps with 4-level Pulse-Amplitude-Modulation (PAM4) for particle physics experiments. This ASIC, named GBS20, is fabricated in a 65 nm CMOS technology. Two serializers share a 5.12 GHz Phase Locked Loop (PLL) clock. The outputs from the serializers are combined into a PAM4 signal that directly drives a Vertical-Cavity-Surface-Emitting-Laser (VCSEL). The input data channels, each at 1.28 Gbps, are scrambled with an internal 2$^{7}$-1 Pseudo-Random Binary Sequence (PRBS), which also serves as a frame aligner. GBS20 is tested to work at 10.24 and 20.48 Gbps with a VCSEL-based Transmitter-Optical-Subassembly (TOSA). The power consumption of GBS20 is below 238 mW and reduced to 164 mW in the low-power mode.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

High-Fidelity Simulations of Gravity Currents Using a High-Order Finite-Difference Spectral Vanishing Viscosity Approach

This numerical work investigates the potential of a high-order finite-difference spectral vanishing viscosity approach to simulate gravity currents at high Reynolds numbers. The method introduces targeted numerical dissipation at small scales through altering the discretisation of the second derivatives of the viscous terms in the incompressible Navier-Stokes equations to mimic the spectral vanishing viscosity (SVV) operator, originally designed for the regularisation of spectral element method (SEM) solutions of pure advection problems. Using a sixth-order accurate finite-difference scheme, the adoption of the SVV method is straightforward and comes with a negligible additional computational cost. In order to assess the ability of this high-order finite-difference spectral vanishing viscosity approach, we performed large-eddy simulations (LES) of a gravity current in a channelised lock-exchange set-up with our SVV model and with the well-known explicit static and dynamic Smagorinsky sub-grid scale (SGS) models. The obtained data are compared with a direct numerical simulation (DNS) based on more than 800 million mesh nodes, and with experimental measurements. A framework for the energy budget is introduced to investigate the behaviour of the gravity current. First, it is found that the DNS is in good agreement with the experimental data for the evolution of the front location and velocity field as well as for the stirring and mixing inside the gravity current. Secondly, the LES performed with less than 0.4% of the total number of mesh nodes compared to the DNS, can reproduce the main features of the gravity currents, with the SVV model yielding slightly more accurate results. It is also found that the dynamic Smagorinsky model performs better than its static version. For the present study, the static and dynamic Smagorinsky models are 1.8 and 2.5 times more expensive than the SVV model, because the latter does not require the calculation of explicit SGS terms in the Navier-Stokes equations nor spatial filtering operations.

direct numerical simulation↗
DOE OSTI2020

Integrated dispersion compensated mode-locked quantum dot laser

Quantum dot lasers are excellent on-chip light sources, offering high defect tolerance, low threshold, low temperature variation, and high feedback insensitivity. Yet a monolithic integration technique combining epitaxial quantum dot lasers with passive waveguides has not been demonstrated and is needed for complex photonic integrated circuits. We present here, for the first time to our knowledge, a monolithc offset quantum dot integration platform that permits formation of a laser cavity utilizing both the robust quantum dot active region and the versatility of passive GaAs waveguide structures. This platform is substrate agnostic and therefore compatible with the quantum dot lasers directly grown on Si. As an illustration of the potential of this platform, we designed and fabricated a 20 GHz mode-locked laser with a dispersion-engineered on-chip waveguide mirror. Due to the dispersion compensation effect of the waveguide mirror, the pulse width of the mode-locked laser is reduced by a factor of 2.8.

Zhang, Zeyu (ORCID:0000000271576272)↗
DOE OSTI2022

Direct Observation of the Pressure-Induced Structural Variation in Gold Nanoclusters and the Correlated Optical Response

The ability to gradually modify the atomic structures of nanomaterials and directly identify such structural variation is important in nanoscience research. Here, we present the first example of a high-pressure single-crystal X-ray diffraction analysis of atomically precise metal nanoclusters. The pressure-dependent, subangstrom structural evolution of an ultrasmall gold nanoparticle, Au 25 S 18 , has been directly identified. We found that a 0.1 Å decrease of the Au–Au bond length could induce a blue-shift of 30 nm in the photoluminescence spectra of gold nanoclusters. From theoretical calculations, the origins of the blue-shift and enhanced photoluminescence under pressure are investigated, which are ascribed to molecular orbital symmetry and conformational locking, respectively. Here, the combination of the high-pressure in situ X-ray results with both theoretical and experimental optical spectra provides a direct and generalizable avenue to unveil the underlying structure–property relations for nanoclusters and nanoparticles which cannot be obtained through traditional physical chemistry measurements.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Delamination-Assisted Ultrafast Wrinkle Formation in a Freestanding Film

Freestanding films provide a versatile platform for materials engineering thanks to additional structural motifs not found in films with a substrate. A ubiquitous example is wrinkles, yet little is known about how they can develop over as fast as a few picoseconds due to a lack of experimental probes to visualize their dynamics in real time on the nanoscopic scale. Here, we use time-resolved electron diffraction to directly observe light-activated wrinkling formation in freestanding La 2/3 Ca 1/3 MnO 3 films. Via a “lock-in” analysis of oscillations in the diffraction peak position, intensity, and width, we quantitatively reconstructed how wrinkles develop on the time scale of lattice vibration. Contrary to the common assumption of fixed boundary conditions, we found that wrinkle development is associated with ultrafast delamination at the film boundaries. Finally, our work provides a generic protocol to quantify wrinkling dynamics in freestanding films and highlights the importance of the film–substrate interaction in determining the properties of freestanding structures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A structured RNA motif locks Argonaute2:miR-122 onto the 5’ end of the HCV genome

microRNAs (miRNAs) form regulatory networks in metazoans. Viruses engage miRNA networks in numerous ways, with Flaviviridae members exploiting direct interactions of their RNA genomes with host miRNAs. For hepatitis C virus (HCV), binding of liver-abundant miR-122 stabilizes the viral RNA and regulates viral translation. Here, we investigate the structural basis for these activities, taking into consideration that miRNAs function in complex with Argonaute (Ago) proteins. The crystal structure of the Ago2:miR-122:HCV complex reveals a structured RNA motif that traps Ago2 on the viral RNA, masking its 5’ end from enzymatic attack. The trapped Ago2 can recruit host factor PCBP2, implicated in viral translation, while binding of a second Ago2:miR-122 competes with PCBP2, creating a potential molecular switch for translational control. Combined results reveal a viral RNA structure that modulates Ago2:miR-122 dynamics and repurposes host proteins to generate a functional analog of the mRNA cap-binding complex.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Cryo-EM structure of a methanogen nitrogenase-PII protein supercomplex

Abstract Nitrogenases are metalloenzymes that catalyze the reduction of atmospheric dinitrogen to ammonia, sustaining the global nitrogen cycle. While bacterial nitrogenase has been extensively characterized, the architecture and regulation of archaeal nitrogenases remain unknown despite longstanding evidence of nitrogen fixation in methanogens. Here we report a 3.1 Å cryo-electron microscopy structure of a native nitrogenase–PII protein supercomplex from Methanosarcina acetivorans. The structure reveals an unprecedented assembly of three NifDK heterotetramers bridged by six NifI1,2 heterotrimeric PII complexes, which sterically block NifH association and lock the enzyme in an inactive state. The NifI complexes display asymmetric binding of ADP and 2-oxoglutarate, coupling nitrogenase inhibition directly to cellular energy and nitrogen status. Addition of 2-oxoglutarate and ATP releases the NifI complexes, stimulating a threefold increase in NifDK activity in vitro. This higher-order architecture uncovers a previously unrecognized regulatory strategy in methanogens, in which PII proteins drive nitrogenase oligomerization to control activity. The discovery that nitrogenase activity may be modulated through direct assembly into higher-order structures opens new avenues for exploring nitrogenase evolution, regulation, and biotechnological applications. One sentence summary Discovery of a nitrogenase-PII protein supercomplex in methanogens, uncovering a metabolite-gated assembly mechanism for nitrogenase inhibition.

Nitrogenase, Electron Transfer, Methanogen↗