SEARCH · Engineering Papers

Results for “effective resolution”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 397 records · Page 22

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Recent Developments in the General Atomic and Molecular Electronic Structure System

A discussion of many of the recently implemented features of GAMESS (General Atomic and Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library associated with GAMESS) is presented. These features include fragmentation methods like the fragment molecular orbital, effective fragment potential and effective fragment molecular orbital methods, hybrid MPI/OpenMP approaches to Hartree-Fock and resolution of the identity second order perturbation theory. Many new coupled cluster theory methods have been implemented in GAMESS, as have multiple levels of density functional/tight binding theory. The role of accelerators, especially graphical processing units, is discussed in the context of the new features of LibCChem, as is the associated problem of power consumption as the power of computers increases dramatically. The process by which a complex program suite like GAMESS is maintained and developed is considered. Future developments are briefly summarized.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Synthesis of CdZnTeSe single crystals for room temperature radiation detector fabrication: mitigation of hole trapping effects using a convolutional neural network

In this article, we report the growth of Cd 0.9 Zn 0.1 Te 0.97 Se 0.03 (CZTS) wide bandgap semiconductor single crystals for room temperature gamma-ray detection using a modified vertical Bridgman method. Charge transport properties measured in the radiation detectors, fabricated from the grown CZTS crystals, indicated signs of hole trapping. Hole traps inhibit high-resolution radiation detection especially for energetic gamma rays. Machine learning (ML) applications are gaining tremendous mpetus in improving device and sensor performance by compensating for limi tations arising from such intrinsic material properties. In this article, we describe a deep convolutional neural network (CNN) that has demonstrated remarkable efficiency in identifying the energy of a gamma photon detected by a CZTS detector. The CNN has been trained using simulated data that resemble output pulses from actual CZTS detectors when exposed to 662-keV gamma photons. The device properties required for the simulation have been derived from radiation detection measurements on a real Cd 0.9 Zn 0.1 Te 0.97 Se 0.03 detector fabricated in our laboratory. The CNN has been trained with detector pulses arising through photoelectric (PE) and Compton scattering (CS) separately. The percentage error in predicting the detected energies, within an extremely small duration of 0.28 ms, was found to be lower than 0.1% for gamma energies above 50 keV and for training datasets con taining PE and CS events separately. The CNN was also validated for a mixed PE and CS dataset to obtain a prediction error of 1%. Additionally, the effect of detector resolution on the efficiency of the CNN was also explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A Parameterization of Turbulent Dissipation and Pressure Damping Time Scales in Stably Stratified Inversions, and its Effects on Low Clouds in Global Simulations

Abstract It is difficult for coarse‐resolution global models of the atmosphere to accurately simulate the observed distribution of low clouds. In particular, it is difficult for moist turbulence closure models to simulate sufficiently bright near‐coastal stratocumulus (Sc) without simulating overly bright marine shallow cumuli (Cu). To parameterize bright Sc, a turbulence parameterization must damp the turbulent fluxes of heat and moisture above cloud top in order to prevent excessive entrainment of dry air into cloud top. To parameterize dim shallow Cu, the subgrid variances of temperature and moisture must remain large, in order to permit partial cloudiness. However, damping the fluxes but not the variances just above cloud top is difficult if a parameterization uses a single “master” time scale to damp both. In nature, the above‐cloud fluxes are damped by pressure fluctuations, whereas scalar variances are damped by a different process, namely, turbulent dissipation. In a stably stratified inversion above cloud, pressure damping is large but turbulent dissipation is small. To avoid this problem, a multitime scale parameterization for damping has been developed. The damping parameterization has been implemented in a global model and evaluated. The parameterization is capable of dimming shallow Cu while producing adequately bright Sc.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Structural and Valence State Modification of Cobalt in CoPt Nanocatalysts in Redox Conditions

Platinum is the primary catalyst for many chemical reactions in the field of heterogeneous catalysis. However, platinum is both expensive and rare. Therefore, it is advantageous to combine Pt with another metal to reduce cost while also enhancing stability. To that end, Pt is often combined with Co to form Co-Pt nanocrystals. However, dynamical restructuring effects that occur during reaction in Co-Pt ensembles can impact catalytic properties. In this study, model Co 2 Pt 3 nanoparticles supported on carbon were characterized during a redox cycle with two in situ approaches, namely X-ray absorption spectroscopy (XAS) and scanning transmission electron microscopy (STEM) using a multimodal microreactor. The sample was exposed to temperatures up to 500 °C under H 2 , and then to O 2 at 300 °C. Irreversible segregation of Co in the Co-Pt particles was seen during redox cycling and substantial changes of the oxidation state of Co were observed. After the H 2 treatment, a fraction of Co could not be fully reduced and incorporated into a mixed Co-Pt phase. Re-oxidation of the sample increased Co segregation, and the segregated material had a different valence state than in the fresh, oxidized sample. Furthermore, this in situ study describes dynamical restructuring effects in CoPt nano-catalysts at the atomic scale that are crucial to understand to improve the design of catalysts used in major chemical processes.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Controlling T c of iridium films using the proximity effect

A superconducting Transition-Edge Sensor (TES) with low-$T_c$ is essential in a high resolution calorimetric detection. With a motivation of developing sensitive calorimeters for applications in cryogenic neutrinoless double beta decay searches, we have been investigating methods to reduce the $T_c$ of an Ir film down to 20 mK. Utilizing the proximity effect between a superconductor and a normal metal, we found two room temperature fabrication recipes of making Ir-based low-$T_c$ films. In the first approach, an Ir film sandwiched between two Au films, a Au/Ir/Au trilayer, has a tunable $T_c$ in the range of 20-100 mK depending on the relative thicknesses. In the second approach, a paramagnetic Pt thin film is used to create Ir/Pt bilayer with a tunable $T_c$ in the same range. We present detailed study of fabrication and characterization of Ir-based low-$T_c$ films, and compare the experimental results to theoretical models. We show that Ir-based films with predictable and reproducible critical temperature can be consistently fabricated for use in large scale detector applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Gaps in topological magnon spectra: Intrinsic versus extrinsic effects

Determining and explaining the presence of a gap at a magnon crossing point is a critical step to characterize the topological properties of a material. An inelastic neutron scattering study of a single crystal is a powerful experimental technique to probe the magnetic excitation spectra of topological materials. Here, we show that when the scattering intensity rapidly disperses in the vicinity of a crossing point, such as a Dirac point, the apparent topological gap size is extremely sensitive to experimental conditions including sample mosaic, resolution, and momentum integration range. In this work, we demonstrate these effects using comprehensive neutron scattering measurements of CrCl 3 . Our measurements confirm the gapless nature of the Dirac magnon in CrCl 3 , but also reveal an artificial, i.e., extrinsic, magnon gap unless the momentum integration range is carefully controlled. Our study provides an explanation of the discrepancies between spectroscopic and first-principles estimates of Dirac magnon gap sizes and provides guidelines for accurate measurement of topological magnon gaps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Revisiting adiabatic fraction estimations in cumulus clouds: high-resolution simulations with a passive tracer

The process of mixing in warm convective clouds and its effects on microphysics are crucial for an accurate description of cloud fields, weather, and climate. Still, they remain open questions in the field of cloud physics. Adiabatic regions in the cloud could be considered non-mixed areas and therefore serve as an important reference to mixing. For this reason, the adiabatic fraction (AF) is an important parameter that estimates the mixing level in the cloud in a simple way. Here, we test different methods of AF calculations using high-resolution (10 m) simulations of isolated warm cumulus clouds. The calculated AFs are compared with a normalized concentration of a passive tracer, which is a measure of dilution by mixing. This comparison enables the examination of how well the AF parameter can determine mixing effects and the estimation of the accuracy of different approaches used to calculate it. Comparison of three different methods to derive AF, with the passive tracer, shows that one method is much more robust than the others. Moreover, this method's equation structure also allows for the isolation of different assumptions that are often practiced when calculating AF such as vertical profiles, cloud-base height, and the linearity of AF with height. The use of a detailed spectral bin microphysics scheme allows an accurate description of the supersaturation field and demonstrates that the accuracy of the saturation adjustment assumption depends on aerosol concentration, leading to an underestimation of AF in pristine environments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

FCC feasibility studies: Impact of tracker- and calorimeter-detector performance on jet flavor identification and Higgs physics analyses

The ambitious physics program planned for the Future Circular Collider electron-positron phase imposes stringent constraints on detector performance. This study systematically investigates how different detector configurations impact jet flavor identification and their effects on high-profile physics analyses. Using Higgs boson coupling measurements and searches for invisible Higgs decays as benchmarks, we evaluate the sensitivity of these analyses to variations in tracker and calorimeter detector properties. We examine modifications to single-point resolution, material budget, silicon layer placement, and particle identification capabilities, quantifying their effects on flavor-tagging performance. Additionally, we present the first comprehensive study of Higgs-to-invisible decay detection using full detector simulation, providing insights for optimizing detector designs at lepton colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Probing the meta-stability of oxide core/shell nanoparticle systems at atomic resolution

Hybrid nanoparticles allow exploiting the interplay of confinement, proximity between different materials and interfacial effects. However, to harness their properties an in-depth understanding of their (meta)stability and interfacial characteristics is crucial. This is especially the case of nanosystems based on functional oxides working under reducing conditions, which may severely impact their properties. Here, the in-situ electron-induced selective reduction of Mn 3 O 4 to MnO is studied in magnetic Fe 3 O 4 /Mn 3 O 4 and Mn 3 O 4 /Fe 3 O 4 core/shell nanoparticles by means of high-resolution scanning transmission electron microscopy combined with electron energy-loss spectroscopy. Such in-situ transformation allows mimicking the actual processes in operando environments. A multi-stage image analysis using geometric phase analysis combined with particle image velocity enables direct monitoring of the relationship between structure, chemical composition and strain relaxation during the Mn 3 O 4 reduction. In the case of Fe 3 O 4 /Mn 3 O 4 core/shell the transformation occurs smoothly without the formation of defects. However, for the inverse Mn 3 O 4 /Fe 3 O 4 core/shell configuration the electron beam-induced transformation occurs in different stages that include redox reactions and void formation followed by strain field relaxation via formation of defects. This study highlights the relevance of understanding the local dynamics responsible for changes in the particle composition in order to control stability and, ultimately, macroscopic functionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Convective Biases in the US DOE Global Storm‐Resolving Model: Insights From Regionally Refined Simulations During the CACTI Campaign

Accurately simulating convective processes in complex terrain remains a critical challenge for global storm-resolving models (GSRMs). This study systematically evaluates moist convective biases in the Regionally Refined Mesh configuration of the U.S. Department of Energy Simple Cloud-Resolving E3SM Atmosphere Model (RRM-SCREAM) using comprehensive observations and large-eddy simulations from the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) campaign in the mountainous area of central Argentina. Comparisons of simulations with high-resolution observations and reanalysis data indicate that RRM-SCREAM effectively captures large-scale meteorological patterns, including regional atmospheric gradients and diurnal variability. However, RRM-SCREAM disproportionately produces smaller precipitation clusters referred to as “popcorn convection,” and exaggerated rainfall intensities compared to observations and reference models. Detailed examination of a representative orographic shallow-to-deep convective transition case shows that RRM-SCREAM delays initial shallow convection growth due to lower-tropospheric dryness and sustained convective inhibition, but once triggered, deep convection becomes overly vigorous with excessively strong vertical velocities and elevated cloud ice content, linked to a thermodynamic structure characterized by suppressed low-level moistening and excessive upper-level moisture retention. Our results highlight specific deficiencies in the model representation of convective vertical velocity, cloud microphysical processes, and convective precipitation organization within RRM-SCREAM. Addressing these biases is essential for improving the predictions of convective clouds and precipitation in the global high-resolution atmospheric models.

Su, Tianning [Lawrence Livermore National Laborato↗

DOE OSTI2021

Resolved gravity waves in the tropical stratosphere: Impact of horizontal resolution and deep convection parametrization

Convectively generated gravity waves (CGGWs) are important for numerical weather prediction due to their effect on the quasi-biennial oscillation (QBO) in the stratosphere. Here, using global ECMWF IFS simulations at TCo7999 (or 1.25 km), TCo2559 (or 3.9 km) and TCo1279 (or 7.8 km) horizontal resolutions, sensitivity of resolved CGGWs to the horizontal resolution and to the explicit versus parametrized representation of deep convection is elucidated during the westerly shear phase of the QBO. Parametrized deep convection is found to inhibit CGGWs, resulting in a twofold reduction in CGGW forcing. When deep convection is explicitly resolved, the total CGGW forcing is almost unchanged across the horizontal resolutions. However, the contribution of long and mesoscale CGGWs (with horizontal wavelengths 100 km ≤ $λ_h$ < $1,900$ km) to the total CGGW forcing decreases and the contribution of smaller-scale CGGWs (with $λ_h$ < $100$ km) increases as the horizontal resolution increases. At the maximum CGGW forcing altitude, at TCo7999 resolution 43% of the total CGGW forcing is due to long and mesoscale waves, whereas at TCo2559 and TCo1279 resolutions their contribution is 70% and 90%, respectively. While CGGW forcing from long and mesoscale waves is similar at TCo7999 resolution with explicit deep convection and at TCo1279 resolution with parametrized deep convection, CGGW forcing from these waves is artificially enhanced at TCo1279 and TCo2559 resolutions with explicit deep convection. This is due to the explicit deep convection being too strong and having too much variance for 100 km ≤ $λ_h$ < $1,900$ km. Therefore, parametrizations of deep convection and CGGWs (to account for forcing from waves with $λ_h$ < $100$ km) are required even at TCo2559 resolution. Additionally, resolved CGGW forcing at TCo7999 resolution is examined for the easterly shear phase of the QBO; similar to the westerly shear phase, the smaller-scale waves contribute 55% to the total CGGW forcing at the maximum CGGW forcing altitude.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models

Interactions between WD40 repeat domain protein 5 (WDR5) and its various partners such as mixed lineage leukemia (MLL) and c-MYC are essential for sustaining oncogenesis in human cancers. However, inhibitors that block protein-protein interactions (PPIs) between WDR5 and its binding partners exhibit modest cancer cell killing effects and lack in vivo efficacy. Here, we present pharmacological degradation of WDR5 as a promising therapeutic strategy for treating WDR5-dependent tumors and report two high-resolution crystal structures of WDR5-degrader-E3 ligase ternary complexes. We identified an effective WDR5 degrader via structure-based design and demonstrated its in vitro and in vivo antitumor activities. On the basis of the crystal structure of an initial WDR5 degrader in complex with WDR5 and the E3 ligase von Hippel–Lindau (VHL), we designed a WDR5 degrader, MS67, and demonstrated the high cooperativity of MS67 binding to WDR5 and VHL by another ternary complex structure and biophysical characterization. MS67 potently and selectively depleted WDR5 and was more effective than WDR5 PPI inhibitors in suppressing transcription of WDR5-regulated genes, decreasing the chromatin-bound fraction of MLL complex components and c-MYC, and inhibiting the proliferation of cancer cells. In addition, MS67 suppressed malignant growth of MLL-rearranged acute myeloid leukemia patient cells in vitro and in vivo and was well tolerated in vivo. Collectively, our results demonstrate that structure-based design can be an effective strategy to identify highly active degraders and suggest that pharmacological degradation of WDR5 might be a promising treatment for WDR5-dependent cancers.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Effects of Quantum Dot Loading on the Radioluminescence Efficiency in Quantum-Dot-Embedded Composites

Nanoparticle-embedded plastic scintillators are an emerging technology for fast, large-area, high-resolution radiation detection and imaging. Here, this study investigates the properties of such composites, focusing on the effects of the quantum dot (QD) concentration on the radioluminescence (RL) intensity, spectra, and dynamics. Experiments using CdSe/CdS QDs in a polymer reveal a superlinear increase in RL with the QD concentration despite optical losses from inner filtering and interparticle interactions. When corrected for inner filtering, RL shows a quadratic concentration dependence, consistent with simple analytical models of improving the secondary electron capture. Practically, the benefits of high QD concentrations are muted by optical losses, but the findings apply to other systems with insulating hosts. In addition to manipulating emission for large effective Stokes shifts, future improvements may come from hosts with higher stopping power and better charge transport, which enable more effective funneling of excitations but without concomitant optical losses associated with high nanoparticle concentrations.

Auger recombination↗

DOE OSTI2022

Faraday-effect polarimetry for current profile measurement in the tokamak plasma edge

Toroidal current profile measurements in the tokamak plasma edge are critical for fusion plasma physics research and model validation. A three-wave Faraday-effect polarimeter-interferometer with a sub-centimeter spatial resolution is proposed on the DIII-D tokamak to determine the edge current profile via Abel inversion. By using probe beams with 316 µm wavelength, a low-field-side, vertical-view, single-pass optical layout covering the plasma edge region (R = 2.15–2.27 m) is assessed. Measurements with no greater than 0.1° polarimetric systematic uncertainty, no greater than 0.01° polarimetric root-mean-square noise (1 kHz bandwidth), and a 0.8 cm radial chord spacing are considered feasible based on the achieved performance of existing systems using similar wavelengths on fusion devices. Furthermore, synthetic diagnostic calculations taking various factors into account, such as diagnostic uncertainty and quality of magnetic flux surfaces, find that the edge current profile can be determined with up to 0.12 MA/m 2 uncertainty, or about 10% of the peak current density in the pedestal of an investigated high-confinement plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Data for Post-Access Report: Tidal Energy Resource Characterization and Model Validation via the Assessment of Cost-effective Spatially Distributed Current Measurements from microFloat Swarms

This project evaluated how high-resolution, spatially distributed field data can be used to refine and validate site-scale hydrodynamic simulations of tidal channels. Use of such spatially-distributed field observations or site-scale hydrodynamic simulations will be needed for producing accurate predictions of tidal energy production over larger arrays of tidal turbines. The data contained in this archive includes field observations of water velocity from a series of short surveys in Agate Pass taken on August 20th, 2020 using station-keeping ADCP (acoustic doppler current profiler) measurements, drifting downward-looking ADCPs, and microFloats, gathered by researchers at APL-UW under a previous project. It also includes high-resolution hydrodynamic model runs for the site during that time generated under TEAMER support. An explanatory file (.pdf format) describes the survey and field data structure. Processed data is stored in .mat format. Survey summary: start time, number of floats, water level. microFloat data: - Cleaned data for each float in survey, - Time series of position (lat., lon.), depth (relative to surface), and horizontal velocity (u, v) Drifting ADCP data: - Cleaned data for each drifting ADCP in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) Stationary ADCP data: - Cleaned data for each station-keeping data set in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) FVCOM (Finite Volume Coastal Ocean Model) model outputs: Water level and velocity, as well as derived variables (e.g., power density) from the final refined model simulations for the Agate Pass subdomain. Contained in NetCDF and ASCII files for the duration of August 18th and 20th 2020 field surveys. Additional scripts for processing the data and generating the figures in the report are included.

16 TIDAL AND WAVE POWER↗

DOE OSTI2021

Performance characterization of the Radionuclide Aerosol Sampler/Analyzer air sampler during a high-activity release event

The performance of the Radionuclide Aerosol Sampler/Analyzer (RASA) under high-activity conditions has been evaluated to maintain and protect the operations of International Monitoring System (IMS) radionuclide stations. Station measurements following the Fukushima Daichi accident of 11 March 2011 have been combined with laboratory measurements to understand how the quality of the measurements made using the RASA High-Purity Germanium (HPGe) gamma-spectrometer are impacted by increased sample activity and detector dead-time. Detector saturation has been identified to occur at a count rate of 175,000 counts s-1, at which level there are significant impacts to the sample live-time and detector resolution in addition to a system contamination risk. To safeguard against these effects, a dead-time limit of 16.6% is proposed that could be maintained by monitoring the activity collecting on the filter using a Cadmium Zinc Telluride (CZT) detector installed into the particulate collection area of the RASA. This limit would ensure that the IMS technical specifications for measurement time (> 20 h) and detector resolution (2.5 keV at 1332 keV) are met. The CZT would dynamically control the RASA air flow to limit the collection of particulate activity beneath the HPGe dead-time threshold and would also provide measurements useful for CTBT verification purposes and dose assessments.

Burnett, Jonathan L.↗

DOE OSTI2022

Nanoscale Photoexcited Carrier Dynamics in Perovskites

The optoelectronic properties of lead halide perovskite thin films can be tuned through compositional variations and strain, but the associated nanocrystalline structure makes it difficult to untangle the link between composition, processing conditions, and ultimately material properties and degradation. Here, we study the effect of processing conditions and degradation on the local photoconductivity dynamics in [(CsPbI 3 ) 0.05 (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 ] and (FA 0.7 Cs 0.3 PbI 3 ) perovskite thin films using temporally and spectrally resolved microwave near-field microscopy with a temporal resolution as high as 5 ns and a spatial resolution better than 50 nm. For the latter FACs formulation, we find a clear effect of the process annealing temperature on film morphology, stability, and spatial photoconductivity distribution. After exposure of samples to ambient conditions and illumination, we find spectral evidence of halide segregation-induced degradation below the instrument resolution limit for the mixed halide formulation, while we find a clear spatially inhomogeneous increase in the carrier lifetime for the FACs formulation annealed at 180 degrees C.

14 SOLAR ENERGY↗

DOE OSTI2025

Resolving Low Cloud Feedbacks Globally With E3SM High‐Res MMF: Agreement With LES but Stronger Shortwave Effects

This study investigates low cloud feedback in a warmer climate using global simulations from the High-Resolution Multi-scale Modeling Framework (HR-MMF), which explicitly simulates small-scale eddies globally. Two 5-year simulations—one with present-day sea surface temperatures (SSTs) and a second with SSTs warmed uniformly by 4 K—reveal a positive global shortwave cloud radiative effect (SWCRE = 0.3 W/m 2 /K), comparable to estimates from CMIP models. As the climate warms, significant reductions in low cloud cover occur over stratocumulus regions. This study is the first attempt to compare HR-MMF results with predictions from idealized large-eddy simulations from the CGILS intercomparison. Despite different underlying assumptions, we find qualitative agreement in SWCRE and inversion height changes between HR-MMF and CGILS predictions. This suggests reasonable credibility for the CGILS framework in predicting cloud responses under the out-of-sample conditions found in HR-MMF. However, the HR-MMF exhibits stronger SWCRE changes than predicted by CGILS. We explore potential causes for this discrepancy, examining variations in cloud-controlling factors (CCFs) and cloud conditions. Our results show a fairly homogeneous SWCRE response, with little systematic variation tied to the variations in CCFs. This reveals a dominant role for SST forcing in modulating SWCRE.

boundary-layer clouds↗