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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Strong field ionization and dissociation dynamics of vinyl bromide (C 2 H 3 Br) initiated by few-cycle pulses

Photoelectron-photoion (PEPICO) and photoion-photoion (PIPICO) coincidence measurements, coupled with a few-cycle intense laser field, were employed to investigate strong field ionization/dissociation dynamics of vinyl bromide (C₂H₃Br). The angular streaking technique was used to map the recoil-frame angle-dependent ionization rates to identify ionizing orbitals. Dissociative single ionization was mainly attributed to ionizing the lower lying molecular orbitals, suggesting that direct ionization dominates with few-cycle pulses. Three dissociative double ionization channels, both prompt and delayed fragmentation, were identified. Theoretical analysis using time-dependent configuration interaction with complex absorbing potential (TDCI-CAP) and high-level electronic structure methods was performed to elucidate the underlying ionization and dissociation mechanisms.

Olowolafe, Temitayo A. [Wayne State University, De↗
DOE OSTI2022

Trivalent ion overcharging on electrified graphene

We report the structure of the electrical double layer (EDL) formed near graphene in aqueous environments strongly impacts its performance for a plethora of applications, including capacitive deionization. In particular, adsorption and organization of multivalent counterions near the graphene interface can promote nonclassical behaviors of EDL including overcharging followed by co-ion adsorption. In this paper, we characterize the EDL formed near an electrified graphene interface in dilute aqueous YCl 3 solution using in situ high resolution x-ray reflectivity (also known as crystal truncation rod) and resonant anomalous x-ray reflectivity (RAXR). These interface-specific techniques reveal the electron density profiles with molecular-scale resolution. We find that yttrium ions (Y 3+ ) readily adsorb to the negatively charged graphene surface to form an extended ion profile. This ion distribution resembles a classical diffuse layer but with a significantly high ion coverage, i.e., 1 Y 3+ per 11.4 ± 1.6 Å 2 , compared to the value calculated from the capacitance measured by cyclic voltammetry (1 Y 3+ per ~240 Å 2 ). Such overcharging can be explained by co-adsorption of chloride that effectively screens the excess positive charge. The adsorbed Y 3+ profile also shows a molecular-scale gap (≥ 5 Å) from the top graphene surfaces, which is attributed to the presence of intervening water molecules between the adsorbents and adsorbates as well as the lack of inner-sphere surface complexation on chemically inert graphene. We also demonstrate controlled adsorption by varying the applied potential and reveal consistent Y 3+ ion position with respect to the surface and increasing cation coverage with increasing the magnitude of the negative potential. This is the first experimental description of a model graphene-aqueous system with controlled potential and provides important insights into the application of graphene-based systems for enhanced and selective ion separations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Two-channel anomalous Hall effect in SrRuO 3

The Hall effect in SrRuO 3 thin films near the thickness limit for ferromagnetism shows an extra peak in addition to the ordinary and anomalous Hall effects. This extra peak has been attributed to a topological Hall effect due to two-dimensional skyrmions in the film around the coercive field; however, the sign of the anomalous Hall effect in SrRuO 3 can change as a function of saturation magnetization. Here we report Hall peaks in SrRuO 3 in which volumetric magnetometry measurements and magnetic force microscopy indicate that the peaks result from the superposition of two anomalous Hall channels with opposite sign. These channels likely form due to thickness variations in SrRuO 3 , creating two spatially separated magnetic regions with different saturation magnetizations and coercive fields. Overall, the results are central to the development of strongly correlated materials for spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Cyclone Fani: the tug-of-war between regional warming and anthropogenic aerosol effects

Before Cyclone Amphan took place in 2020, Cyclone Fani (May 2019) is the strongest pre-monsoon cyclone in the Bay of Bengal (BOB) since 1991, killing 90 people in eastern India and Bangladesh while causing US$1.81 billion of damages. Fani developed during a period of high concentration of anthropogenic aerosols in the BOB with abnormally high sea surface temperature (SST), thereby presenting an opportunity to understand the compound effects of atmospheric aerosols and regional climate warming on a tropical cyclone. A quantitative attribution analysis was conducted using the Weather Research and Forecasting model with chemistry (WRF-Chem) run at the convection-permitting (4 km) grid spacing, accompanied by an ensemble of coarser-resolution simulations to quantify the uncertainty. The removal of post-1990 trends in the tropospheric variables and SST from WRF-Chem's initial conditions (IC) and boundary conditions (BC, including the lateral and lower boundary conditions) resulted in a reduction of cyclone precipitation by about 51% during the 5 d of April 28-May 2. The removal of tropospheric warming shows approximately twice as strong an effect on Fani (39% reduction in precipitation) as that of SST warming (22% reduction). When aerosol's direct and indirect effects were removed from the simulations, i.e., no aerosol influence on radiation and cloud microphysics, Fani initially strengthened but later weakened, as measured by geopotential height and precipitation amounts. These results suggest that aerosol and its interaction with the atmosphere acted to mitigate the strengthening effect of anthropogenic warming on Fani, but was not strong enough to entirely counteract it. Although the ensemble of coarser simulations appears to overestimate Cyclone Fani in terms of precipitation, the direction of the effects is in agreement with that obtained from the 4 km simulations. Given the increasing anthropogenic aerosols in the BOB, future attribution studies using more sophisticated dynamical aerosol models on BOB tropical cyclones are urged.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Experimental and numerical investigation of proppant embedment and conductivity reduction within a fracture in the Caney Shale, Southern Oklahoma, USA

The current worldwide energy supply is insufficient to meet the rising demand. As a result, the energy prices are expected to keep soaring despite the recent increases in a variety of renewable energy resources. Although not renewable, shale oil and gas — “unconventional” hydrocarbon resources are relatively clean forms of energy resources, which still hold a vast share of the energy market. For many oil and gas companies, meeting profitable production goals from shale reservoirs is sometimes challenging, due to the loss of fracture conductivity and premature declines in the production. In this paper we investigate the stress-dependent changes in the hydraulic conductivity of proppant-filled fractures and mechanical fracture–proppant interactions in Caney Shale, a calcareous, organic-rich mudrock, through laboratory experiments and numerical modeling. American Petroleum Institute (API) fracture conductivity tests were conducted using 2% KCl on five locations within the Caney Shale that consisted of selecting three brittle (reservoir) zones and two ductile zones. Confining pressures ranged from 1,000 psi to 12,000 psi at 210 °F. Conductivity, permeability as well as embedment were measured during the test. Also, an additional, laboratory in-situ visualization test was conducted to examine the detailed proppant-shale matrix interaction under elevated stress (3,920 psi effective stress) and temperature (252 °F), with a synthetic reservoir fluid. Our experimental results have confirmed that improved fracture conductivity is attributed to proppant size, and that the increase in porosity of the proppant pack, closure pressure changes and the reduction in fracture conductivity are a function of many factors such as fracture closure stress.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2025

Tailoring the Selective Oxidation of Hydroxyl-Containing Compounds via Precisely Tuning the Hydrogen-Bond Strength of Catalyst H-Bond Acceptors

The unique performance of the enzyme is mainly achieved via weak interactions between the “outer coordination sphere” and the substrate. Inspired by this process, we developed 3D encapsulated-structure catalysts with hydrogen-bond engineering on the shell, which mimics the “outer coordination sphere” of an enzyme. Various hydrogen bond acceptors (C=O, S=O, and N–O groups) are imparted in the shell. Concentration-dependent 1H NMR, inverse-phase gas Chromatography (IGC) measurements, and DFT calculations underscore that the hydrogen bond strength between the acceptor groups and alcohol follows the order of C=O < S=O < N–O. The hydroxyl compound oxidation rate vs the hydrogen bond strength follows a volcano behavior, reminiscent of Sabatier’s principle. The performance variation among catalysts is attributed to the adsorption strength of the substrate. The proposed bioinspired design principle expands the scope of encapsulated catalysts, enabling fine regulation of catalytic activity through precise microenvironment control via weak interactions with substrates.

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

Accumulation of Large Ion Populations with High Ion Densities and Effects Due to Space Charge in Traveling Wave-Based Structures for Lossless Ion Manipulations (SLIM) IMS-MS

The accumulation of very large ion populations in traveling wave (TW)-based Structures for Lossless ion Manipulations (SLIM) has been studied to better understand aspects of ‘in-SLIM’ ion accumulation, and particularly its use in conjunction with ion mobility spectrometry (IMS). A linear SLIM ion path was implemented that had a ‘gate’ for blocking and accumulating ions for arbitrary time periods. Removing the gate potential caused ions to exit and the spatial distributions of accumulated ions were examined. The ion populations for a set of peptides were observed to increase with increased accumulation times until space change effects became significant, after which the peptide precursor ion populations decreased due to growing space charge-related ion activation, reactions, and losses. Ions closest to the gate were preferentially activated, and increasingly so with added storage times, TW amplitude, and the size of the total ion population. For analytical applications, we found that relatively weak TWs in the accumulation/storage region should be utilized to prevent or minimize ion losses and/or ion heating effects that can also lead to fragmentation. Our results further indicate that an accumulation region close to the SLIM entrance is advantageous for both speeding accumulation, minimizing ion heating, and avoiding ion population profiles that result in IMS peak tailing. Importantly, space charge-driven separations were observed for large populations of accumulated species and attributed to the opposing effects of space charge and the TW. In these separations, ion species form distributions or peaks, sometimes moving against the TW, and ordered in the SLIM based on their mobilities. Such separations may offer utility for ion pre-fractionation of ions and increasing the dynamic range measurements, increasing the resolving power of IMS separations by decreasing peak widths for accumulated ion populations, and other purposes benefitting from separations of extremely large ion populations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Dielectric loss due to charged-defect acoustic phonon emission

The coherence times of state-of-the-art superconducting qubits are limited by bulk dielectric loss, yet the microscopic mechanism leading to this loss is unclear. Here, we propose that the experimentally observed loss can be attributed to the presence of charged defects that enable the absorption of electromagnetic radiation by the emission of acoustic phonons. Our explicit derivation of the absorption coefficient for this mechanism allows us to derive a loss tangent of 7.2 × 10−9 for Al2O3, in good agreement with recent high-precision measurements [Read et al., Phys. Rev. Appl. 19, 034064 (2023)]. We also find that for temperatures well below ∼0.2 K, the loss should be independent of temperature, which is also in agreement with observations. Our investigations show that the loss per defect depends mainly on properties of the host material, and a high-throughput search suggests that diamond, cubic BN, AlN, and SiC are optimal in this respect.

Turiansky, Mark E. (ORCID:0000000291543582)↗
DOE OSTI2025

The MAGIS-100 Experiment and a Future, Kilometer-scale Atom Interferometer

The dearth of signals unambiguously attributable to WIMP dark matter motivates exploring new parameter space, particularly the ultra-light dark matter (ULDM) regime, where the signal is not scattering events but wave phenomena. The proliferation of quantum technologies has enabled searches for ULDM at previously inaccessible sensitivity. One such technology is atom interferometry which can measure time-dependent fluctuations in the energy spacing of atoms as well as in the light-travel time across the apparatus, enabling searches for ULDM and gravitational waves, respectively. In this talk, I will review the science case for long baseline atom interferometers, such as MAGIS-100 at Fermilab, provide an update on the experiment’s status, and discuss the need for a future, kilometer-scale atom interferometer which would achieve unprecedented sensitivity to ULDM and gravitational waves in the “Mid-Band” region between LIGO and LISA.

Temples, Dylan J. [Fermilab] (ORCID:00000001601725↗
DOE OSTI2021

Ellipticity controlled dissociative double ionization of ethane by strong fields

We report the yields of all dissociation channels of ethane dications produced by strong field double ionization were measured. It was found that the branching ratios can be controlled by varying the ellipticity of laser pulses. The CH 3 + formation and H + formation channels show a clear competition, producing the highest and lowest branching ratios at ellipticity of ~0.6, respectively. With the help of theoretical calculations, such a control was attributed to the ellipticity dependent yields of different sequential ionization pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Grassland-to-cropland conversion increased soil, nutrient, and carbon losses in the US Midwest between 2008 and 2016

After decades of declining cropland area, the United States (US) experienced a reversal in land use/land cover change in recent years, with substantial grassland conversion to cropland in the US Midwest. Although previous studies estimated soil carbon (C) loss due to cropland expansion, other important environmental indicators, such as soil erosion and nutrient loss, remain largely unquantified. In this study, we simulated the environmental impacts from the conversion of grassland to corn and soybeans for 12 US Midwestern states using the EPIC (Environmental Policy Integrated Climate) model. Between 2008 and 2016, over 2 Mha of grassland were converted to crop production in these states, with much less cropland concomitantly abandoned or retired from production. The net grassland-cropland conversion increased annual soil erosion by 7.9%, nitrogen (N) loss by 3.7%, and soil organic carbon loss by 5.6% relative to that of existing cropland, despite an associated increase in cropland area of only 2.5%. Notably, the above estimates represent the scenario of converting unmanaged grassland to tilled corn and soybeans, and impacts varied depending upon crop type and tillage regime. Corn and soybeans are dominant biofuel feedstocks, yet the grassland conversion and subsequent environmental impacts simulated in this study are likely not attributable solely to biofuel-driven land use change since other factors also contribute to corn and soybean prices and land use decisions. Nevertheless, our results suggest grassland conversion in the Upper Midwest has resulted in substantial degradation of soil quality, with implications for air and water quality as well. Additional conservation measures are likely necessary to counterbalance the impacts, particularly in areas with high rates of grassland conversion (e.g. the Dakotas, southern Iowa).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

$$\pi ^-p\rightarrow \eta ^{(\prime )}\, \pi ^- p$$ in the double-Regge region: Joint Physics Analysis Center

Abstract The production of $$\eta ^{(\prime )}\pi $$ η ( ′ ) π pairs constitutes one of the golden channels to search for hybrid exotics, with explicit gluonic degrees of freedom. Understanding the dynamics and backgrounds associated to $$\eta ^{(\prime )}\pi $$ η ( ′ ) π production above the resonance region is required to impose additional constraints to the resonance extraction. We consider the reaction $$\pi ^-p\rightarrow \eta ^{(\prime )} \pi ^- \,p$$ π - p → η ( ′ ) π - p measured by COMPASS. We show that the data in $$2.4< m_{\eta ^{(\prime )}\pi } < 3.0{\mathrm {\,GeV}} $$ 2.4 < m η ( ′ ) π < 3.0 GeV can be described by amplitudes based on double-Regge exchanges. The angular distribution of the meson pairs, in particular in the $$\eta ' \pi $$ η ′ π channel, can be attributed to flavor singlet exchanges, suggesting the presence of a large gluon content that couples strongly to the produced mesons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Concentric Ring Gas Atomization Die Design for Optimized Particle Production

In partnership with Linde plc (formerly Praxair, Inc.), Ames Laboratory will further develop and commercialize its concentric-ring high pressure gas atomization (CR-HPGA) gas-die technology with a goal to improve the precision of metal powder production in a desired size range and quality. The successful commercialization of this technology could reduce production cost of metal powders and improve reliability of this industrial process, increasing specialty alloy powder availability for new applications and adoption into additive manufacturing and multiple materials sectors. The project scope is to [1] utilize AMES compressible gas flow and melt break-up models to explore a wide swath of parameter space available for the CR-HPGA technology, identifying the most promising gas-die designs for fabrication, [2] verify and optimize the new gas-die design, fabricate it and select preferred operating parameters by gas-only flow imaging and aspiration pressure measurements, down-selecting gas compositions and atomization parameters for full scale testing, [3] perform pilot-scale atomization trials with Al and/or Cu alloys of a new CR-HPGA gas-die at selected parameters, [4] evaluate gas-die performance by comparing resulting powder size distribution and powder quality attributes with equivalent powders made by conventional close-coupled HPGA technology, and [5] assess (through Praxair partnership) reduction in operational costs of new CR-HPGA gas-die through the use of an inert gas recovery/recycling system. In partnership with Praxair, Inc., the team, led by Ames Laboratory senior metallurgist Iver Anderson, intend to demonstrate the performance of an optimized CR-HPGA gas-die design in a pilot scale atomizer and better understand the design and operational controls to increase overall benefits for precision metal powder production.

42 ENGINEERING↗
DOE OSTI2025

Bridging the Gap on Data, Metrics, and Analyses for Grid Resilience to Weather Events: Information that utilities can provide regulators, state energy offices, and other stakeholders

A growing number of states require regulated utilities to file resilience plans to improve the electric grid’s ability to anticipate, withstand, adapt to and recover from increasingly severe weather events. This report aims to help state regulators identify and request data, metrics, and analyses from utilities and use it in decisions on utility resilience plans and investments. The report reviews state requirements and utility plans focused on overall grid resilience, climate change resilience and vulnerabilities, infrastructure modernization, storm protection, and wildfire mitigation. It details types of data, metrics, and analyses across five categories--and provides examples of each from the utility plans. The first category is vulnerability assessments, or evaluations of the susceptibility of systems, communities, or assets to potential harm from identified hazards. The second is data on hazards and the exposure of utility assets and customers to these hazards. The third is attribute metrics, or system characteristics that contribute to or describe the resilience of a system. The fourth is performance metrics, which are impacts of resilience investments on system performance--typically a reduction of negative impacts from hazard events. Finally, evaluation and prioritization are analyses that utilities conduct to estimate impacts from resilience measures (evaluation) and prioritize measures based on costs and estimated impacts (prioritization). The report concludes with examples of key trends and emerging best practices for states and utilities, and identifies areas for further research.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Benchmarking a Tunable Quantum Neural Network on Trapped-Ion and Superconducting Hardware

We implement a quantum generalization of a neural network on trapped-ion and IBM superconducting quantum computers to classify MNIST images, a common benchmark in computer vision. The network feedforward involves qubit rotations whose angles depend on the results of measurements in the previous layer. The network is trained via simulation, but inference is performed experimentally on quantum hardware. The classical-to-quantum correspondence is controlled by an interpolation parameter, $a$, which is zero in the classical limit. Increasing $a$ introduces quantum uncertainty into the measurements, which is shown to improve network performance at moderate values of the interpolation parameter. We then focus on particular images that fail to be classified by a classical neural network but are detected correctly in the quantum network. For such borderline cases, we observe strong deviations from the simulated behavior. We attribute this to physical noise, which causes the output to fluctuate between nearby minima of the classification energy landscape. Such strong sensitivity to physical noise is absent for clear images. We further benchmark physical noise by inserting additional single-qubit and two-qubit gate pairs into the neural network circuits. Our work provides a springboard toward more complex quantum neural networks on current devices: while the approach is rooted in standard classical machine learning, scaling up such networks may prove classically non-simulable and could offer a route to near-term quantum advantage.

FOS: Physical sciences↗
DOE OSTI2024

The Effect of Air Separations on Fast Pyrolysis Products for Forest Residue Feedstocks

This study investigates the intricate relationship between biomass preprocessing and pyrolysis product yields, employing the air classification technique for the treatment of loblolly pine residues with varying moisture content. A comprehensive exploration of the physicochemical properties of air-classified loblolly pine informs a sophisticated pyrolysis simulation model. Given the complex and multifaceted nature of biomass pyrolysis, operating across diverse temporal and spatial scales, a pyrolysis kinetics-based CFD–DEM simulation method is employed to predict product yields. Results showed that the elevated moisture content amplifies particle adhesiveness, necessitating augmented air velocities for effective separation, thereby influencing the efficiency of the separation process. While carbon and hydrogen contents exhibit relative stability across diverse moisture contents and blower frequencies, the oxygen content undergoes noticeable changes. For example, the oxygen contents were measured as 29.2 and 38.6 wt% in the light fraction of 30% moisture content sample at blower frequencies of 10 and 20 Hz, respectively. An intriguing finding emerges from pyrolysis simulation, indicating that a lower blower frequency in air classification moderately enhances bio-oil yield and significantly improves its quality, particularly in terms of water content. For instance, the water content in the bio-oil was about 1.5% and 10% in the heavy and light fractions, respectively from 10% moisture sample under 15 Hz blower frequency. In summary, a detailed understanding and strategic manipulation of critical material attributes in biomass through efficient fractionation techniques are imperative for advancing fast pyrolysis as a sustainable avenue for renewable energy and chemical production.

09 BIOMASS FUELS↗
DOE OSTI2021

Acoustic velocity and permeability of acidized and propped fractures in shale

We report that from geochemical reactions to proppant emplacement, hydraulic fracturing induces various chemomechanical fracture alterations in shale reservoirs. Hydraulic fracturing through the injection of a vast amount and variety of fluids and proppants has substantial impacts on fluid flow and hydrocarbon production. There is a strong need to improve our understanding on how fracture alterations affect flow pathways within the stimulated rock volume and develop monitoring tools. We have conducted time-lapse rock-physics experiments on clay-rich (carbonate-poor) Marcellus shales to characterize the acoustic velocity and permeability responses to fracture acidizing and propping. Acoustic P- and S-wave velocities and fracture permeability were measured before and after laboratory-induced fracture alterations along with microstructural imaging through X-ray computed tomography and scanning electron microscopy. Our experiments indicate that the S-wave velocity is an important geophysical observable, particularly the S-wave polarized perpendicular to fractures because it is sensitive to fracture stiffness. The acidizing and propping of a fracture decrease its elastic stiffness. This effect is stronger for acidizing, so it is possible that proppant monitoring will be masked by chemical alteration except when propping is highly efficient (i.e., most fractures are propped). However, fracture permeability is undermined by the softening of fracture surfaces due to acidizing, while being greatly enhanced by propping. These contrasting effects on fluid flow in combination with similar seismic attributes indicate the importance of experiments to improve existing rock-physics models, which must include changes to the rock frame. Such improvements are necessary for a correct interpretation of seismic velocity monitoring of flow pathways in stimulated shales.

58 GEOSCIENCES↗
DOE OSTI2022

Unveiling the origins of work-hardening enhancement and mechanical instability in laser shock peened titanium

Laser shock-peening (LSP) produces complex gradients in microstructures and residual stresses, which enables fabrication of metallic engineering components with superior mechanical properties. In this work, we use non-destructive and spatially resolved high-energy X-ray diffraction (HE-XRD) to investigate the influences of LSP on microstructure, surface topography, and residual stress for high purity titanium plates. LSP is found to produce large compressive in-plane residual stresses near the peened surface which monotonically decay to zero about 2.5 mm below the surface. These properties were also tracked during in-situ tensile loading, allowing stress partitioning and work-hardening rates to be measured as a function of depth. The surface region is found to have the highest work-hardening rate and remain mechanically stable up to sample failure. In addition, a crystal rigid rotation along a transversal axis of about 27 & nbsp; was observed at large applied strain near the surface region, which is attributed to the formation of denser dispersed shear bands. Furthermore, a sudden drop in tensile stress was observed at a depth of similar to 160 mu m from the LSP surface, indicating the formation of a localized mechanical instability zone (LMIZ). The origin of this LMIZ could be attributed to the increase in shear stress induced by a load transfer from LSP surface due to the formation of denser dispersed shear bands. These observations indicate a localized transition in deformation behavior has occurred from dispersed shear banding to LMIZ and homogeneous deformation.

36 MATERIALS SCIENCE↗