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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Modeling the Transfer Function for the Dark Energy Survey

We present a forward-modeling simulation framework designed to model the data products from the Dark Energy Survey (DES). This forward-model process can be thought of as a transfer function—a mapping from cosmological/astronomical signals to the final data products used by the scientists. Using output from the cosmological simulations (the Blind Cosmology Challenge), we generate simulated images (the Ultra Fast Image Simulator) and catalogs representative of the DES data. In this work we demonstrate the framework by simulating the 244 deg 2 coadd images and catalogs in five bands for the DES Science Verification data. The simulation output is compared with the corresponding data to show that major characteristics of the images and catalogs can be captured. We also point out several directions of future improvements. Two practical examples—star-galaxy classification and proximity effects on object detection—are then used to illustrate how one can use the simulations to address systematics issues in data analysis. With clear understanding of the simplifications in our model, we show that one can use the simulations side-by-side with data products to interpret the measurements. This forward modeling approach is generally applicable for other upcoming and future surveys. It provides a powerful tool for systematics studies that is sufficiently realistic and highly controllable.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Multi-scale Quantitative Risk Analysis of Seabed Minerals: Principles and Application to Seafloor Massive Sulfide Prospects

The potential for mining hydrothermal mineral deposits on the seafloor, such as seafloor massive sulfides, has become technically possible, and some companies (currently not many) are considering their exploration and development. Yet, no present methodology has been designed to quantify the ore potential and assess the risks relative to prospectivity at prospect and regional scales. Multi-scale exploration techniques, similar to those of the play analysis that are used in the oil and gas industry, can help to fulfill this task by identifying the characteristics of geologic environments indicative of ore-forming processes. Such characteristics can represent a combination of, e.g., heat source, pathway, trap and reservoir that all dictate how and where ore components are mobilized from source to deposition. In this study, the understanding of these key elements is developed as a mineral system, which serves as a guide for mapping the risk of the presence or absence of ore-forming processes within the region of interest (the permissive tract). The risk analysis is carried out using geoscience data, and it is paired with quantitative resource estimation analysis to estimate the in-place mineral potential. Resource estimates are simulated stochastically with the help of available data (bathymetric features in this study), conventional grade–tonnage models and Monte Carlo simulation techniques. In this paper, the workflow for a multi-scale quantitative risk analysis, from the definition to the evaluation of a permissive tract and related prospect(s), is described with the help of multi-beam data of a known hydrothermal vent site.

58 GEOSCIENCES↗
DOE OSTI2026

Automated scanning probe microscopy of combinatorial ferroelectric libraries: Gaussian-process-guided exploration and noise-aware experiment planning

Combinatorial materials libraries provide an efficient route for mapping composition–property relationships, but their broader impact depends on rapid, quantitative, and functionally relevant characterization. Scanning Probe Microscopy (SPM), including piezoresponse force microscopy (PFM), offers significant potential for quantitative, functionally relevant combi-library readouts. Here, we implement a fully automated SPM workflow for ferroelectric combinatorial libraries and benchmark Gaussian-process-based Bayesian optimization strategies for autonomous experiment planning. The workflow integrates automated probe motion, contact optimization, imaging, and dual amplitude resonance tracking-PFM spectroscopy, and uses scalarized spectroscopic observables to guide subsequent measurements. Stage motion, probe engagement, in-contact tuning, imaging, spectroscopy, and the choice of the next measurement location all proceed without human input. We demonstrate the approach on Sm-doped BiFeO 3 and Zn x Mg 1−x O libraries. By comparing vanilla Bayesian optimization with a measured-noise variant, we show that explicit treatment of local reproducibility can improve modeling of composition-dependent response when the measured variance is physically meaningful, but can also reduce robustness when variability is dominated by outliers or topographic artifacts. Furthermore, these results establish automated SPM as a bridge between combinatorial synthesis and quantitative functional characterization.

Liu, Yu [University of Tennessee, Knoxville, TN (U↗
DOE OSTI2025

Operation of helium sub-atmospheric multistage cryogenic centrifugal compressor trains: Part 2 – Transient modeling and pump-down path selection

Low-pressure conditions required for operation of helium cryogenic systems below the normal boiling point (i.e. 4.2 K) are established through a transient process, commonly referred to as ‘pump-down’. This process is defined as the transition from pressures above atmospheric conditions to the saturation pressure which corresponds to a specified operational temperature. The FRIB 2 K system consists of five cryogenic centrifugal compressors which are operated in series. Historically, the pump-down process path has been established through empirical methods and system operator experience. Investigation into the pump-down process at FRIB aimed to develop a pump-down methodology which relies on theoretical model predictions rather than empirically developed process paths. Ensuring stable operation during the pump-down process involved application of a centrifugal compressor performance prediction model, which is described in Part 1 of this paper. Compressor performance maps can be directly used to evaluate the stability of a selected pump-down path and anticipate the overall reliability of the selected path. In conjunction with the compressor performance maps, a system pressure model was developed to estimate the transient pressure response during the pump-down process. Lastly, an explicit equation was developed to establish a mass flow rate profile for the pump-down process. Implementation of the presented methodology (including the developed models) allows for the system operator to determine a continuous pump-down path which maintains compressor stability while conforming to overall system capabilities. Altogether, the methodology presented has resulted in simplification of transient pump-down operations and increased the reliability, stability and efficiency of the pump-down process.

Compressor train control↗
DOE OSTI2021

Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene

Abstract We present a way to dramatically accelerate Gaussian process models for interatomic force fields based on many-body kernels by mapping both forces and uncertainties onto functions of low-dimensional features. This allows for automated active learning of models combining near-quantum accuracy, built-in uncertainty, and constant cost of evaluation that is comparable to classical analytical models, capable of simulating millions of atoms. Using this approach, we perform large-scale molecular dynamics simulations of the stability of the stanene monolayer. We discover an unusual phase transformation mechanism of 2D stanene, where ripples lead to nucleation of bilayer defects, densification into a disordered multilayer structure, followed by formation of bulk liquid at high temperature or nucleation and growth of the 3D bcc crystal at low temperature. The presented method opens possibilities for rapid development of fast accurate uncertainty-aware models for simulating long-time large-scale dynamics of complex materials.

Chemistry↗
DOE OSTI2015

Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation

Competing multi-photon ionization processes, some leading to the formation of double core hole states, have been examined in 4-aminophenol. The experiments used the linac coherent light source (LCLS) x-ray free electron laser, in combination with a time-of-flight magnetic bottle electron spectrometer and the correlation analysis method of covariance mapping. Furthermore, the results imply that 4-aminophenol molecules exposed to the focused x-ray pulses of the LCLS sequentially absorb more than two x-ray photons, resulting in the formation of multiple core holes as well as in the sequential removal of photoelectrons and Auger electrons (so-called PAPA sequences).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

LandMOD ET mapper: A new matlab-based graphical user interface (GUI) for automated implementation of SEBAL and METRIC models in thermal imagery

Remote sensing based surface energy balance (SEB) models, such as SEB Algorithm for Land (SEBAL) and Mapping evapotranspiration (ET) at high Resolution with Internalized Calibration (METRIC) are widely used to monitor ET. However, their operational use is challenged by model complexity and the tedious process of selecting hot and cold pixels. We developed a new Matlab-based ET mapping toolbox named “LandMOD ET Mapper” for automated implementation of these models to facilitate their widespread applications among new users. The toolbox is demonstrated using one Landsat and one Moderate Resolution Imaging Spectroradiometer (MODIS) Terra image covering three AmeriFlux sites in Nebraska, U.S. Daily ET estimates were comparable with the observed ET for five days when near cloud-free Landsat and MODIS Terra images were available in the 2006 maize growing season. The toolbox provides a viable ET mapping option to new and inexperienced users with reduced time and labor demands.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

SU-E-J-219: A Dixon Based Pseudo-CT Generation Method for MR-Only Radiotherapy Treatment Planning of the Pelvis and Head and Neck

Purpose: To develop an image processing method for MRI-based generation of electron density maps, known as pseudo-CT (pCT), without usage of model- or atlas-based segmentation, and to evaluate the method in the pelvic and head-neck region against CT. Methods: CT and MRI scans were obtained from the pelvic region of four patients in supine position using a flat table top only for CT. Stratified CT maps were generated by classifying each voxel based on HU ranges into one of four classes: air, adipose tissue, soft tissue or bone.A hierarchical region-selective algorithm, based on automatic thresholding and clustering, was used to classify tissues from MR Dixon reconstructed fat, In-Phase (IP) and Opposed-Phase (OP) images. First, a body mask was obtained by thresholding the IP image. Subsequently, an automatic threshold on the Dixon fat image differentiated soft and adipose tissue. K-means clustering on IP and OP images resulted in a mask that, via a connected neighborhood analysis, allowing the user to select the components corresponding to bone structures.The pCT was estimated through assignment of bulk HU to the tissue classes. Bone-only Digital Reconstructed Radiographs (DRR) were generated as well. The pCT images were rigidly registered to the stratified CT to allow a volumetric and voxelwise comparison. Moreover, pCTs were also calculated within the head-neck region in two volunteers using the same pipeline. Results: The volumetric comparison resulted in differences <1% for each tissue class. A voxelwise comparison showed a good classification, ranging from 64% to 98%. The primary misclassified classes were adipose/soft tissue and bone/soft tissue. As the patients have been imaged on different table tops, part of the misclassification error can be explained by misregistration. Conclusion: The proposed approach does not rely on an anatomy model providing the flexibility to successfully generate the pCT in two different body sites. This research is founded by ZonMw IMDI Programme, project name: “RASOR sharp: MRI based radiotherapy planning using a single MRI sequence”, project number: 10-104003010.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Geothermal Play Fairway Analysis for Low-Temperature Resources in the Denver Basin

This dataset is part of an effort to highlight the advantages of incorporating low-temperature (< 150 C) geothermal resource evaluation into the implementation of combined heat and power (CHP), and geothermal direct use (GDU) technologies (e.g., space heating and/or cooling). For this Denver Basin example, resource favorability maps were created to identify potentially favorable areas for further geothermal exploration and are provided here. Favorability was based on three types of data: (1) geologic, (2) economic, and (3) risk. This raw data is also provided below. Geologic data include bottom-hole temperatures (BHT) from oil and gas wells, water co-production volumes from oil and gas wells, well groundwater levels, hot spring locations, temperatures, and chemistries, faults, and earthquakes. Economic feasibility data include population, thermal energy demand, infrastructure, and roads. Risk data (which includes data on excluded areas) include flood plains, protected lands (e.g. wildlife conservation areas, national parks). The included report describes this project in detail, covering workflows, relevant datasets, Python code, and both common and composite maps used to create low-temperature geothermal resource favorability maps for the Denver Basin, which extends across Colorado, Nebraska, and Wyoming. The figures in this report include: maps of the original datasets; maps of transformed data and derived parameters (such as the geothermal gradient or thermal conductivity); results of uncertainty analyses; results of data completeness (using the GeoRePORT tool); examples of the data combination and processing (using the geoPFA Python library, which is introduced in the attached report); favorability maps for each criteria; and a final combined favorability map. This project is designed to facilitate future deployment of CHP and GDU by providing data, tools, and a workflow applicable to low-temperature geothermal resources in sedimentary basins.

15 GEOTHERMAL ENERGY↗
DOE OSTI2016

Nanoparticle shape evolution and proximity effects during tip-induced electrochemical processes

The voltage spectroscopies in scanning probe microscopy (SPM) techniques are widely used to investigate the electrochemical processes in nanoscale volumes, which are important for current key applications, such as batteries, fuel cells, catalysts, and memristors. The spectroscopic measurements are commonly performed on a grid of multiple points to yield spatially resolved maps of reversible and irreversible electrochemical functionalities. Hence, the spacing between measurement points is an important parameter to be considered, especially for irreversible electrochemical processes. Here, we report nonlocal electrochemical dynamics in chains of Ag particles fabricated by the SPM tip on a silver ion solid electrolyte. When the grid spacing is small compared with the size of the formed Ag particles, anomalous chains of unequally sized particles with double periodicity evolve. This behavior is ascribed to a proximity effect during the tip-induced electrochemical process, specifically, size-dependent silver particle growth following the contact between the particles. In addition, fractal shape evolution of the formed Ag structures indicates that the growth-limiting process changes from Ag + /Ag redox reaction to Ag + -ion diffusion with the increase in the applied voltage and pulse duration. Our study shows that characteristic shapes of the electrochemical products are good indicators for determining the underlying growth-limiting process, and emergence of complex phenomena during spectroscopic mapping of electrochemical functionalities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

The Gemini Planet Imager View of the HD 32297 Debris Disk

We present new H-band scattered light images of the HD 32297 edge-on debris disk obtained with the Gemini Planet Imager. The disk is detected in total and polarized intensity down to a projected angular separation of 0.″15, or 20 au. On the other hand, the large-scale swept-back halo remains undetected, likely a consequence of its markedly blue color relative to the parent body belt. We analyze the curvature of the disk spine and estimate a radius of ≈100 au for the parent body belt, smaller than past scattered light studies but consistent with thermal emission maps of the system. We employ three different flux-preserving post-processing methods to suppress the residual starlight and evaluate the surface brightness and polarization profile along the disk spine. Unlike past studies of the system, our high-fidelity images reveal the disk to be highly symmetric and devoid of morphological and surface brightness perturbations. We find the dust scattering properties of the system to be consistent with those observed in other debris disks, with the exception of HR 4796. Finally, we find no direct evidence for the presence of a planetary-mass object in the system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Transient dynamics of powder spattering in laser powder bed fusion additive manufacturing process revealed by in-situ high-speed high-energy x-ray imaging

Powder spattering is a major cause of defect formation and quality uncertainty in the laser powder bed fusion (LPBF) additive manufacturing (AM) process. It is very difficult to investigate this with either conventional characterization tools or modeling and simulation. The detailed dynamics of powder spattering in the LPBF are still not fully understood. Here, we report insights into the transient dynamics of powder spattering in the LPBF process that were observed with in-situ high-speed high-energy x-ray imaging. Powder motion dynamics, as functions of time, environment pressure, and location, are presented. The moving speed, acceleration, and driving force of powder motion that are induced by metal vapor jet/plume and argon gas flow are quantified. A schematic map showing the dynamics and mechanisms of powder motion during the LPBF process as functions of time and pressure is constructed. In conclusion, potential ways to mitigate powder spattering during the LPBF process are discussed and proposed, based on the revealed powder motion dynamics and mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Mobile platform for radiological characterization of sites under or after decommissioning - 15139

Nowadays, nuclear industry is facing a crucial need in establishing radiological characterization for the assessment and the monitoring of any remediation work. Regarding its experience in this domain, the French Commission for Atomic Energy and Alternative Energies (CEA) of Fontenay-aux-Roses, established an important feedback and developed a sound methodology for radiological characterization. A clean-up project is managed from the initial surface characterization to the final one, once volumes of contaminated soil have been removed. Samples are collected via recognized methods and data is gathered by real-time acquisition with different conveyance such as all-in-vehicles, cart, walking, helicopter or drone. Accurate radiological analyses are performed on site thanks to the mobile laboratories cluster, called SMaRT. It enables to realize long-time gamma spectroscopy, chemical preparation for alpha spectroscopy or beta liquid scintillation counting. Data is processed with geo-statistics via the software Kartotrak, 2D or 3D mapping are created with the associated uncertainty and probability map. Drilling profiles with geological data (layers composition, particles size, etc.) are studied in order to understand the behavior of the contamination in depth. Source term, contaminated volumes and sanitary impact are calculated in order to determine the optimum excavation depth. Finally, data is stored in an online site that insures the traceability of the whole process. This just-in-time production model allows a fast response and control of costs and avoids the disadvantages of radioactive material transport. This whole innovative process, developed inside the mobile platform, requires all these tools that have been used in France and continuously evolving for more than 10 years thanks to a learning organization. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Benchtop-compatible sample processing workflow for proteome profiling of < 100 mammalian cells

Extending proteomics to smaller samples can enable the mapping of protein expression across tissues with high spatial resolution and can reveal sub-group heterogeneity. However, despite the continually improving sensitivity of LC-MS instrumentation, in-depth profiling of samples containing low-nanogram amounts of protein has remained challenging due to analyte losses incurred during preparation and analysis. To address this, we recently developed nanodroplet processing in one pot for trace samples (nanoPOTS), a robotic/microfluidic platform that generates ready-to-analyze peptides from cellular material in ~200 nL droplets with greatly reduced sample losses. In combination with ultrasensitive LC-MS, nanoPOTS has enabled >3000 proteins to be confidently identified from as few as 10 cultured human cells and ~700 proteins from single cells. However, the nanoPOTS platform requires a highly skilled operator and a costly in-house-built robotic nanopipetting instrument. In this work, we sought to evaluate the extent to which the benefits of nanodroplet processing could be preserved when upscaling reagent dispensing volumes by a factor of 10 to those addressable by commercial micropipette. We characterized the resulting platform, termed microdroplet processing in one pot for trace samples (µPOTS), for the analysis of as few as ~25 cultured HeLa cells (4 ng total protein) or 50 µm square mouse liver tissue thin sections and found that ~1800 and ~1200 unique proteins were respectively identified with high reproducibility. As such, the reduced equipment requirements should facilitate broad dissemination of nanoproteomics workflows by obviating the need for a capital-intensive custom liquid handling system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

r -process nucleosynthesis and kilonovae from hypermassive neutron star post-merger remnants

ABSTRACT We investigate r-process nucleosynthesis and kilonova emission resulting from binary neutron star (BNS) mergers based on a three-dimensional (3D) general-relativistic magnetohydrodynamic (GRMHD) simulation of a hypermassive neutron star (HMNS) remnant. The simulation includes a microphysical finite-temperature equation of state (EOS) and neutrino emission and absorption effects via a leakage scheme. We track the thermodynamic properties of the ejecta using Lagrangian tracer particles and determine its composition using the nuclear reaction network SkyNet. We investigate the impact of neutrinos on the nucleosynthetic yields by varying the neutrino luminosities during post-processing. The ejecta show a broad distribution with respect to their electron fraction Ye, peaking between ∼0.25–0.4 depending on the neutrino luminosity employed. We find that the resulting r-process abundance patterns differ from solar, with no significant production of material beyond the second r-process peak when using luminosities recorded by the tracer particles. We also map the HMNS outflows to the radiation hydrodynamics code SNEC and predict the evolution of the bolometric luminosity as well as broadband light curves of the kilonova. The bolometric light curve peaks on the timescale of a day and the brightest emission is seen in the infrared bands. This is the first direct calculation of the r-process yields and kilonova signal expected from HMNS winds based on 3D GRMHD simulations. For longer-lived remnants, these winds may be the dominant ejecta component producing the kilonova emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Fabrication and Characterization of CNT‐Based Smart Tips for Synchrotron Assisted STM

Determination of chemical composition along with imaging at the atomic level provides critical information towards fundamental understanding of the surface of materials and, hence, yields the capability to design new materials by tailoring their ultimate functionalities. Synchrotron X‐ray assisted scanning tunneling microscopy (SX‐STM) is a promising new technique to achieve real space chemically specific atomic mapping. Chemical sensitivity of SX‐STM relies on excitation of core electrons by incident X‐rays when their energy is tuned to an absorption edge of a particular element. However, along with core‐level electrons, photoelectrons are also excited, which yield additional current and interfere with the tunneling current. To reduce the background photoelectron current and to improve ultimate resolution of SX‐STM, we have developed and fabricated multiwalled carbon nanotubes (MWCNT) based “smart tips” using plasma enhanced chemical vapor deposition and focused ion beam milling. The newly developed CNT‐based smart tips, characterized step by step by scanning electron microscopy (SEM) during the fabrication process, demonstrate good performance and provide opportunity for realizing atomic chemical mapping.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Fate of cellulose in primary and secondary treatment at municipal water resource recovery facilities

Abstract Cellulose from toilet paper is a significant fraction of particulate organics, which is recoverable. For the first time, comprehensive mapping and tracking the fate of cellulose across various unit processes at full‐scale in two water resource recovery facilities located in North America and Europe was undertaken. The influent cellulose content accounted for approximately one‐third of the total suspended solids (TSS). Although about 80% of the raw wastewater cellulose was removed in primary treatment, the type of primary treatment process (rotating belt filter [RBF] vs. primary clarification [PC]) had a significant impact on cellulose capture and diversion. The high cellulose content of the RBF sludge accounting for 35% of the TSS facilitates cellulose recovery. For the North American plant, with a conventional activated sludge process (SRT of 6–7 days, preceded by PC), cellulose biodegradation efficiencies of 70%–90% of the PC effluent were observed in summer and winter. For the European plant, with a modified University of Cape Town process (SRT of 14 days, without primary treatment in train 2, or preceded by RBF in train 1), comparable cellulose biodegradation efficiencies were also observed. Results from laboratory SBRs indicated that cellulose biodegradation efficiency at room temperature was 86% of the influent cellulose. Practitioner points Cellulose fate was tracked across two different WWTPs in two different geographies. Cellulose in the influent wastewater accounted for 1/3 of the total suspended solids. Primary treatments were able to capture more than 80% of the influent cellulose. Cellulose was biodegraded in secondary treatment, resulting an effluent of 2–3 mg/L.

Ahmed, Ahmed Shawki↗