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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Scanning tunneling microscope tip-induced formation of Bi bilayers on Bi 2 Te 3

We report the formation of Bi(111) bilayer islands and crater structures on Bi 2 Te 3 (111) surfaces induced by voltage pulses from a scanning tunneling microscope tip. Pulses above a threshold voltage (+3 V) produce craters ∼0.5μm in diameter, similar to the size of the tip. Redeposited material self-assembles into a network of atomically ordered islands with a lattice constant identical to the underlying Bi2Te3 surface. The island size monotonically decreases over several micrometers from the pulse site, until the pristine Bi 2 Te 3 surface is recovered. We assign these islands to Bi bilayer based on atomic resolution images, analysis of step heights, and tunneling spectroscopy. Here, the dependence of bilayer formation on bias polarity and the evidence for defect diffusion together suggest a mechanism driven by the interplay of field evaporation and tunneling-current-induced Joule heating.

Bi bilayer↗
DOE OSTI2022

Computational Fluid Dynamics analysis of a jet-induced attrition

The flow dynamics, collisional behavior and attrition rates of a grid jet attrition unit are computationally investigated using a kinetic theory-based approach. Profiles of the flow statistical properties are presented and discussed to describe the jet dynamics. Attrition behavior and rates are analyzed from the local reconstruction of the collision energy spectra. The commonly used jet-induced attrition mechanisms which involve the entrainment of the particles into the jet followed by their acceleration and collision at the jet tip is reproduced by the CFD calculations in this work. Here, supported by the local attrition rates, it is shown that the shear-based collisions around the jets, due to counter-current particle axial motions, are an additional jet-induced mechanism generating more fines than at the jet tips.

42 ENGINEERING↗
DOE OSTI2026

Sub-melt nanosecond pulsed-laser induced densification and strain-field relaxation in single-crystal diamond

Dislocations and polishing-induced defect networks in synthetic diamond introduce local strain fields and broaden Raman features, limiting performance in optical, thermal, and electronic applications. Laser annealing is emerging as a promising approach to repair surface and near-surface defects in diamond without entering the melt regime, yet surface densification, defect-state modification, and associated structural changes have not been well quantified. In this work, we show that sub-melt nanosecond pulsed-laser annealing (PLA) induces near-surface densification and defect-mediated strain relaxation in single-crystal Chemical Vapor Deposition (CVD) diamond. Single- and two-pulse PLA were applied, and structural evolution was quantified using co-registered ISO 25,178 white-light interferometry, depth-resolved Raman spectroscopy, and cross-sectional STEM with geometric phase analysis (GPA). Across a 5 × 6 grid (n = 30), responsive regions exhibit large reductions in local slope (Sdq 45–65%), developed area (Sdr 60–90%), height spread (Sp, Sz 30–65%), void volume (Vv 57–60%), and roughness amplitude (Sa, Sq 48–57%), consistent with densification of ∼4–6.5 nm. Raman profiling shows narrowing of the diamond line and improved spectral uniformity to depths of ∼2–3 μm. Given that the Raman probing depth significantly exceeds the densified layer thickness, this response is interpreted as consistent with long-range strain-field redistribution originating from the near-surface region. STEM-GPA strain maps further support this interpretation, showing smoother strain fields, suppressed hotspots, and redistribution of localized strain concentrations following PLA. These results are consistent with defect-mediated strain relaxation and densification-driven modification of the near-surface energy state. The approach provides a scalable pathway for improving near-surface structural quality in diamond relevant to electronic, photonic, and quantum applications.

Areal surface metrology (ISO 25,178)↗
DOE OSTI2020

Data-driven analysis of relight variability of jet fuels induced by turbulence

For safety purposes, reliable reignition of aircraft engines in the event of flame blow-out is a critical requirement. Typically, an external ignition source in the form of a spark is used to achieve a stable flame in the combustor. However, such forced turbulent ignition may not always successfully relight the combustor, mainly because the state of the combustor cannot be precisely determined. Uncertainty in the turbulent flow inside the combustor, inflow conditions, and spark discharge characteristics can lead to variability in sparking outcomes even for nominally identical operating conditions. Prior studies have shown that of all the uncertain parameters, turbulence is often dominant and can drastically alter ignition behavior. For instance, even when different fuels have similar ignition delay times, their ignition behavior in practical systems can be completely different. In practical operating conditions, it is challenging to understand why ignition fails and how much variation in outcomes can be expected. The focus of this work is to understand relight variability induced by turbulence for two different aircraft fuels, namely Jet-A and a variant named C1. A detailed, previously developed simulation approach is used to generate a large number of successful and failed ignition events. Using this data, the cause of misfire is evaluated based on a discriminant analysis that delineates the difference between turbulent initial conditions that lead to ignition or failure. From the discriminant analysis, a compressed sensing algorithm is then applied to help pinpoint the locations of relevant turbulent features. Findings from the discriminant analysis are confirmed with the time history of near kernel properties. Next, a clustering strategy is used to identify ignition and misfire modes. With this approach, it was determined that the cause of ignition failure is different for the two fuels. While it was found that Jet-A is influenced by fuel entrainment, C1 was found to be more sensitive to small scale turbulence features. Finally, a larger variability is found in the ignition modes of C1, which can be subject to extreme events induced by kernel breakdown.

42 ENGINEERING↗
DOE OSTI2020

Estimation of stress and stress-induced permeability change in a geological nuclear waste repository in a thermo-hydrologically coupled simulation

Geologic disposal is a promising solution for a safe permanent isolation of accumulated high-level nuclear waste from nuclear powerplants. The behavior of host rock is highly coupled thermally, hydromechanically, and chemically. Numerical simulations of such coupled phenomena for the extremely long term (>100,000 years) and large length scale (>1 km) of geologic disposal remain to be computationally challenging. In this study, a methodology has been developed to approximate stress and stress-induced permeability change in host rock using only thermo-hydrological (TH) variables. A coupled thermo-hydromechanical (THM) simulation is carried out using TOUGH-FLAC simulator to model THM behaviors of a generic nuclear waste repository, in order to evaluate the performance of the developed methodology, which is implemented in a coupled TH simulation. Results show that stress and permeability change estimated by the developed methodology in the TH-coupled simulation match those calculated in the THM-coupled simulation over the simulated timeframe of over 10,000 years. Details about errors in stress and permeability estimates accrued by the developed methodology are discussed here. The developed methodology will help incorporate stress-induced permeability change into existing TH simulators for the long-term radionuclide transport in geologic disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Effect of the sample work function on alkali metal dosing induced electronic structure change

Alkali metal dosing (AMD) has been widely used as a way to control doping without chemical substitution. This technique, in combination with angle resolved photoemission spectroscopy (ARPES), often provides an opportunity to observe unexpected phenomena. However, the amount of transferred charge and the corresponding change in the electronic structure vary significantly depending on the material. Here, we report study on the correlation between the sample work function and alkali metal induced electronic structure change for three iron-based superconductors: FeSe, Ba(Fe 0.94 Co 0.06 ) 2 As 2 and NaFeAs which share a similar Fermi surface topology. Electronic structure change upon monolayer of alkali metal dosing and the sample work function were measured by ARPES. In this work, our results show that the degree of electronic structure change is proportional to the difference between the work function of the sample and Mulliken's absolute electronegativity of the dosed alkali metal. This finding provides a possible way to estimate the AMD induced electronic structure change.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Impact assessment of geomagnetic induced current neutral blocking devices with power electronics sources on distance relay for 230 kV transmission lines

Electrical grids increased the integration of power electronics sources onto transmission lines. In addition, recent reports show a significant rise in geomagnetic storms occurring in 2024. These geomagnetic storms can affect transmission lines by inducing electrical currents within them, potentially causing power outages due to overloaded power transformers. Geomagnetic induced current neutral blocking devices (GIC-NBDs) are capacitors on the ground of wye power transformers, to avoid damage caused by geomagnetic storms. The integration of distance relays and transmission lines with power electronics sources and GIC-NBDs needs to be studied to observe if GIC-NBDs and power electronics sources could adversely affect operation of the electrical grid. In this analysis, the effect of 2 MW power electronics sources and GIC-NBDs on distance relays is assessed for different 230 kV transmission line lengths in radial and nonradial power systems. The simulations measured the apparent impedances, with different electrical faults. Results for a typical 2,650 μF GIC-NBD application were presented on impedance plots, and the distance relay model operations were assessed. In conclusion, the tests for radial and nonradial power systems showed the behavior of the distance elements and source impedance ratios, assessing the effect of power electronics sources and GIC-NBDs on 230 kV transmission lines.

Distance relays↗
DOE OSTI2023

Dynamics of collision-induced energy transfer

Collisions are of fundamental importance in many relevant physico-chemical phenomena in the gas phase and at the gas-surface interface. Collision-induced energy transfer not only offers a sensitive probe of interatomic interactions, but also impacts an array of processes ranging from transport to reactivity. This perspective highlights some recent advances on collision-induced energy transfer dynamics. In the gas phase, cold collisions revealed remarkable quantum effects and stereodynamics of bimolecular inelastic scattering, which motivated development of new state-to-state quantum scattering methods. For surface processes, experiments of hydrogen atom scattering from various surfaces combined with first-principles molecular dynamics simulations shed valuable light on the relative importance of adiabatic energy transfer to surface phonons and nonadiabatic energy transfer to surface electrons. We outline further challenges in these fields and expect more fruitful interplay between experiment and theory.

Cold collision↗
DOE OSTI2025

Hydrogen diffusion induced dislocation transformations in a nickel superalloy

The diffusion of hydrogen in metals and alloys induces embrittlement that can adversely affect the structural properties. We examine the adsorption and diffusion of hydrogen in Inconel-718 (IN-718), and scrutinize the ensuing effects on the dislocation behavior in the alloy to elucidate the fundamental mechanisms of hydrogen-microstructure interactions from classical molecular simulations. Hydrogen adsorption increases with time until the surface saturates, while hydrogen diffusion exhibits strong temperature dependence, with diffusion coefficients converging above 1300 K regardless of the initial hydrogen concentration in the alloy. The diffusion in IN-718 is significantly sluggish than in pure Ni, Fe, or Cr, and is strongly impacted by hydrogen concentrations, resulting in an order of magnitude higher diffusion coefficient for hydrogen (10-14 m2/s relative to 10-15 m2/s) at high concentrations, especially below 600 K. Hydrogen diffusion coefficient varies from 10-12 to 10-15 m2/s in IN-718 depending on temperature (500–1400 K). More critically, our results reveal that increasing hydrogen concentration induces microstructural changes in the alloy, transforming perfect dislocations into stair-rods and Shockley partials, with higher temperatures favoring the latter. The results are significant for hydrogen fuel applications to gain insights into the materials chemistry for designing safer and more efficient propulsion systems, particularly in high-performance environments related to controlled hydrogen combustion applications.

Banerjee, Tanumoy↗
DOE OSTI2020

Spatiotemporal dynamics of ecosystem fires and biomass burning-induced carbon emissions in China over the past two decades

Fire is a major type of disturbance that has important influences on ecosystem dynamics and carbon cycles. Yet our understanding of ecosystem fires and their carbon cycle consequences is still limited, largely due to the difficulty of large-scale fire monitoring and the complex interactions between fire, vegetation, climate, and anthropogenic factors. Here, using data from satellite-derived fire observations and ecosystem model simulations, we performed a comprehensive investigation of the spatial and temporal dynamics of China's ecosystem fire disturbances and their carbon emissions over the past two decades (1997–2016). Satellite-derived results showed that on average about 3.47 - 4.53 x 10 4 km 2 of the land was burned annually during the past two decades, among which annual burned forest area was about 0.81 - 1.25 × 10 4 km 2 , accounting for 0.33-0.51% of the forest area in China. Biomass burning emitted about 23.02 TgC per year. Compared to satellite products, simulations from the Energy Exascale Earth System Land Model (ELM) strongly overestimated China's burned area and fire-induced carbon emissions. Annual burned area and fire-induced carbon emissions were high for boreal forest in Northeast China's Daxing'anling region and subtropical dry forest in South Yunnan, as revealed by both the satellite product and the model simulations. Our results suggest that climate and anthropogenic factors play critical roles in controlling the spatial and seasonal distribution of China's ecosystem fire disturbances. Our findings highlight the importance of multiple complementary approaches in assessing ecosystem fire disturbance and its carbon consequences. Further studies are required to improve the methods of observing and modelling China's ecosystem fire disturbances, which will provide valuable information for fire management and ecosystem sustainability in an era when both human activities and the natural environment are rapidly changing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Impacts on mechanical strength of chemical reactions induced by hydrous supercritical CO2 in Boise Sandstone

Geomechanics experiments were used to assess mechanical alteration of Boise Sandstone promoted by reactions with supercritical carbon dioxide (scCO 2 ) and water vapor. During geologic carbon storage, scCO 2 is injected into subsurface reservoirs, forming buoyant plumes. At brine-plume interfaces, scCO 2 can dissolve into native brines, and water from brines can partition into scCO 2 , forming hydrous scCO 2 . This study investigates the effect of hydrous scCO 2 on the strength of Boise Sandstone. Samples are first exposed to recirculating hydrous scCO 2 for 24 h at 70 °C and 13.8 MPa scCO 2 pressure. Samples are reacted with scCO 2 with added water contents up to 500 mL. After scCO 2 exposure, samples are deformed at room temperature under confining pressures of 3.4, 6.9, and 10.3 MPa. The results demonstrate that hydrous scCO 2 induces chemical reactions in Boise Sandstone, with ions migrating from the solid into the hydrous scCO 2 phase. At the longer time-scales, these reactions could lead to mechanical weakening in the samples; however, on the scale of our experiments, the strength changes are within sample variability. Because the solubility of water in scCO 2 is extremely low (0.008 mol H 2 O per 1 mol CO 2 ), the mineral dissolution of Boise Sandstone was under 0.002 wt.%. Additionally, mineral grains and pore throats in Boise Sandstone are cemented with quartz, which is not susceptible to dissolution at these conditions. Our results indicate that humidity in scCO 2 plumes is unlikely to sustain chemical reactions and induce long term strength changes in quartz cemented sandstones due to resistant mineralogies and low water solubility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Thermodynamic Analysis of Nano-Electrospray Induced Gas Jets

Nano-electrospray (nES) produces a plume of charged liquid droplets which have drag interactions with the surrounding gas after they are emitted from a source capillary. The resulting induced gas flow has often been considered unimportant, but we have demonstrated that a gas microjet of significant velocity up to 10s of m/s can be produced. In this work we present a thermodynamic framework that enables analysis of gas jet generation from electrosprays and introduce the important metrics for such analysis, effectiveness (a measure of momentum transfer from the electrosprayed aerosol to gas) and efficiency (a measure of energy conversion from electrical energy generating the electrospray to gas kinetic energy). This analytical framework is applicable to any two-phase flows consisting of discrete conservative-force-driven particles which exchange momentum with an inert, otherwise quiescent fluid medium to yield a co-flowing two-phase jet. Here, we apply this framework to sprays of water from nano-electrospray emitters to demonstrate that increasing the applied electrical potential difference, increasing liquid mass flowrate, and decreasing droplet size all can increase electrospray induced gas jet strength, but only the latter two do so while also increasing the momentum transfer effectiveness and energy conversion efficiency.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Modeling of fluid injection-induced fault reactivation using coupled fluid flow and mechanical interface model

The present study is aimed at developing a numerical model to reproduce coupled hydro-mechanical processes associated with fault reactivation by fluid injection in low permeability rock, as part of the DECOVALEX-2019 project Task B. We proposed a modeling approach for simulating the processes using the TOUGH-FLAC simulator, and modeled a fault reactivation experiment conducted at Mont Terri Rock Laboratory in Switzerland. The first step of the study involved benchmark calculations considering a simplified fault plane and geometry. Fluid flow along a fault was modeled using elements of aperture-sized thickness on the basis of Darcy's law and the cubic law in TOUGH2, whereas the mechanical behavior of a single fault was represented by zero-thickness interface elements in FLAC3D upon which a slip and/or separation is allowed. A methodology to connect a TOUGH2 volume element to a FLAC3D interface element was developed for handling the hydro-mechanical interactions on the fault during fluid injection. Two different fault models for describing the evolutions of hydraulic aperture by elastic fracture opening and failure-induced aperture increase were considered in the benchmark calculations. In the coupling process, the changes in geometrical features and hydrological properties induced by mechanical deformation were continuously updated. The transient responses of the fault and host rock to stepwise pressurization were examined during the simulation. The hydro-mechanical behavior, including the injection flow rate, pressure distribution around the borehole, stress conditions, and displacements in normal and shear directions were monitored in the surrounding rock and along the fault. The results of benchmark calculations suggest that the developed model reasonably represents the hydro-mechanical behavior of a fault and the surrounding rock. This modeling approach was applied to the fault reactivation experiment of the Mont Terri Rock Laboratory. In this interpretive modeling, a parametric study was conducted to examine the effects of input parameters regarding in situ stress and fault properties on the hydro-mechanical responses of the fault to water injection. Then, an optimal parameter set to reproduce the field experiment results was chosen by trial-and-error. The injection flow rate and pressure response during fault reactivation closely matched those obtained at the site, which indicates the capability of the model to appropriately capture the progressive pathway evolution during fault reactivation tests at the site. Finally, the anchor displacements were overestimated by the model, but a fair agreement was obtained in terms of the order of magnitude and the variation tendency.

58 GEOSCIENCES↗
DOE OSTI2020

Determination of permeability for hydrocarbon release due to excavation-induced stress redistribution in rock salt

Due to a stress redistribution after the excavation of an underground tunnel for radioactive waste disposal, an Ed/DZ (excavation disturbed/damaged zone) will be generated in the near field of the opening, resulting in significant changes in the hydraulic and mechanical properties of the rock mass in the zone. Initially more or less randomly distributed hydrocarbons at grain boundaries in rock salt, which sometimes can only be observed with ultraviolet light, can then be mobilised and migrate at a potentially significant rate towards the excavation. Within the international cooperative project DECOVALEX 2019, the migration mechanism of such fluid inclusions in rock salt is being studied intensively. Specifically, a multi-scale modelling strategy has been developed. A macroscale coupled hydro-mechanical modelling of an underground excavation was performed to determine hydraulic and time-dependent deviatoric stress conditions, by taking into account the rock salt creep behaviour. Under the obtained macro-scale constraints, micro-scale modelling of a pathway dilation along halite grain boundaries was performed using different model strategies: a) coupled hydromechanical modelling with a consideration of hydraulic pressure-induced dilatant deformation, b) nonlinear dynamic model taking account of fluid migration, stress-dependent grain boundary wetting and shear-induced dilatancy of salt, and c) phase-field modelling of flow pathway propagation. The permeability increase resulting from the pathway dilation is estimated to be as high as two orders of magnitude. Based on the permeability determined, a series of pressure buildups measured from a borehole with a high hydrocarbon release rate, a total of 430 build-ups within a monitoring time of 938 days, can be simulated with a macro-scale compressible flow model accounting for different zones around the opening.

58 GEOSCIENCES↗
DOE OSTI2021

Simultaneous Targeting of RSK and AKT Efficiently Inhibits YB-1-Mediated Repair of Ionizing Radiation-Induced DNA Double-Strand Breaks in Breast Cancer Cells

Y-box binding protein 1 (YB-1) overexpression is associated with chemotherapy- and radiation therapy resistance. Ionizing radiation (IR), receptor tyrosine kinase ligands, and mutation in KRAS gene stimulate activation of YB-1. YB-1 accelerates the repair of IR-induced DNA double-strand breaks (DSBs). Ribosomal S6 kinase (RSK) is the main kinase inducing YB-1 phosphorylation. We investigated the impact of RSK targeting on DSB repair and radiosensitivity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Effect of Interleukin-7 on Radiation-Induced Lymphopenia and Its Antitumor Effects in a Mouse Model

Local ionizing radiation (IR) can lead to systemic lymphocyte depletion, which is associated with poor survival outcomes in patients with cancer. Interleukin-7 (IL-7) plays an important role in lymphocyte homeostasis; however, its role in alleviating radiation-induced lymphopenia remains unclear. Hence, we established a radiation-induced lymphopenia animal model and evaluated the effect of exogenous IL-7 administration.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

The Importance of Radiation Dose to the Atherosclerotic Plaque in the Left Anterior Descending Coronary Artery for Radiation-Induced Cardiac Toxicity of Breast Cancer Patients?

Radiation-induced acute coronary events (ACEs) may occur as a treatment-related late adverse effect of breast cancer (BC) radiation. However, the underlying mechanisms behind this radiation-induced cardiac disease remain to be determined. The objective of this study was to test the hypothesis that radiation dose to calcified atherosclerotic plaques in the left anterior descending coronary artery (LAD) is a better predictor for ACEs than radiation dose to the whole heart or left ventricle in patients with BC treated with radiation therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗