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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Structure Perception in 3D Point Clouds: Preprint

Understanding human perception is critical to the design of ef- fective visualizations. The relative benefits of using 2D versus 3D techniques for data visualization is a complex decision space, with varying levels of uncertainty and disagreement in both the liter- ature and in practice. This study aims to add easily reproducible, empirical evidence on the role of depth cues in perceiving structures or patterns in 3D point clouds. We describe a method to synthesize a 3D point cloud that contains a 3D structure, where 2D projec- tions of the data strongly resemble a Gaussian distribution. We performed a within-subjects structure identification study with 128 participants that compared scatterplot matrices (canonical 2D projections) and 3D scatterplots under three types of motion: rota- tion, xy-translation, and z-translation. We found that users could consistently identify three separate hidden structures under ro- tation, while those structures remained hidden in the scatterplot matrices and under translation. This work contributes a set of 3D point clouds that provide definitive examples of 3D patterns per- ceptible in 3D scatterplots under rotation but imperceptible in 2D scatterplots.

data analysis↗
DOE OSTI2023

Simulation of Reverse Osmosis Membrane Compaction Using Material Point Method (MPM)

Access to fresh drinking water in the future requires effective management of industrial wastewater and water purification from available resources. In this study, we present the simulation methodology and the analysis of a Reverse Osmosis (RO) membrane under various pressure conditions using the Material Point Method (MPM). In contrast to other numerical methods, MPM solves the continuum governing equations on material points in a Lagrangian framework. The method does not require a grid connecting the material points hence making it suitable to simulate large deformations during membrane compaction. The time integration is carried out using the explicit Euler method, while the spatial discretization is performed using linear or cubic-spline shape functions. A series of planar images containing detailed pore structures obtained from X-ray tomography experiments is converted to a three-dimensional collection of material points to simulate the membrane. Compressive loads are applied to the top layer of the membrane to simulate the experiments. The membrane deformation and pore size distribution before and after load application are reported and compared with the experimental measurements. The presentation discusses the numerical methods used, the performance of the solver on high-performance computing machines, and the results of membrane compaction in detail.

ENGINEERING,MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Preliminary design studies on a nuclear seawater desalination system

Seawater desalination is one of the most promising technologies to provide fresh water especially in the arid region. The most used technology in seawater desalination are thermal desalination (MSF and MED) and membrane desalination (RO). Some developments have been done in the area of coupling the desalination plant with a nuclear reactor to reduce the cost of energy required in thermal desalination. The coupling a nuclear reactor to a desalination plant can be done either by using the co-generation or by using dedicated heat from a nuclear system. The comparison of the co-generation nuclear reactor with desalination plant, dedicated nuclear heat system, and fossil fueled system will be discussed in this paper using economical assessment with IAEA DEEP software. A newly designed nuclear system dedicated for the seawater desalination will also be suggested by KAIST (Korea Advanced Inst. of Science and Technology) research team and described in detail within this paper. The suggested reactor system is using gas cooled type reactor and in this preliminary study the scope of design will be limited to comparison of two cases in different operating temperature ranges. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2013

300 GPM Solids Removal System A True Replacement for Back Flushable Powdered Filter Systems - 13607

The EnergySolutions Solids Removal System (SRS) utilizes stainless steel cross-flow ultra-filtration (XUF) technology which allows it to reliably remove suspended solids greater than one (1) micron from liquid radwaste streams. The SRS is designed as a pre-treatment step for solids separation prior to processing through other technologies such as Ion Exchange Resin (IER) and/or Reverse Osmosis (RO), etc. Utilizing this pre-treatment approach ensures successful production of reactor grade water while 1) decreasing the amount of radioactive water being discharged to the environment; and 2) decreasing the amount of radioactive waste that must ultimately be disposed of due to the elimination of spent powdered filter media. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Fukushima Nuclear Crisis Recovery: A Modular Water Treatment System Deployed in Seven Weeks - 12489

On March 11, 2011, the magnitude 9.0 Great East Japan earthquake, Tohoku, hit off the Fukushima coast of Japan. This was one of the most powerful earthquakes in recorded history and the most powerful one known to have hit Japan. The ensuing tsunami devastated a huge area resulting in some 25,000 persons confirmed dead or missing. The perfect storm was complete when the tsunami then found the four reactor, Fukushima-Daiichi Nuclear Station directly in its destructive path. While recovery systems admirably survived the powerful earthquake, the seawater from the tsunami knocked the emergency cooling systems out and did extensive damage to the plant and site. Subsequent hydrogen generation caused explosions which extended this damage to a new level and further flooded the buildings with highly contaminated water. Some 2 million people were evacuated from a fifty mile radius of the area and evaluation and cleanup began. Teams were assembled in Tokyo the first week of April to lay out potential plans for the immediate treatment of some 63 million gallons (a number which later exceeded 110 million gallons) of highly contaminated water to avoid overflow from the buildings as well as supply the desperately needed clean cooling water for the reactors. A system had to be deployed with a very brief cold shake down and hot startup before the rainy season started in early June. Joined by team members Toshiba (oil removal system), AREVA (chemical precipitation system) and Hitachi-GE (RO system), Kurion (cesium removal system following the oil separator) proposed, designed, fabricated, delivered and started up a one of a kind treatment skid and over 100 metric tons of specially engineered and modified Ion Specific Media (ISM) customized for this very challenging seawater/oil application, all in seven weeks. After a very short cold shake down, the system went into operation on June 17, 2011 on actual waste waters far exceeding 1 million Bq/mL in cesium and many other isotopes. One must remember that, in addition to attempting to do isotope removal in the competition of seawater (as high as 18,000 ppm sodium due to concentration), some 350,000 gallons of turbine oil was dispersed into the flooded buildings as well. The proposed system consisted of a 4 guard vessel skid for the oil and debris, 4 skids containing 16 cesium towers in a lead-lag layout with removable vessels (sent to an interim storage facility), and a 4 polishing vessel skid for iodine removal and trace cesium levels. At a flow rate of at least 220 gallons per minute, the system has routinely removed over 99% of the cesium, the main component of the activity, since going on line. To date, some 50% of the original activity has been removed and stabilized and cold shutdown of the plant was announced on December 10, 2011. In March and April alone, 10 cubic feet of Engineered Herschelite was shipped to Seabrook Nuclear Power Plant, NPP, to support the April 1, 2011 outage cleanup; 400 cubic feet was shipped to Oak Ridge National Laboratory (ORNL) for strontium (Sr-90) ground water remediation; and 6000 cubic feet (100 metric tons, MT, or 220,400 pounds) was readied for the Fukushima Nuclear Power Station with an additional 100 MT on standby for replacement vessels. This experience and accelerated media production in the U.S. bore direct application to what was to soon be used in Fukushima. How such a sophisticated and totally unique system and huge amount of media could be deployable in such a challenging and changing matrix, and in only seven weeks, is outlined in this paper as well as the system and operation itself. As demonstrated herein, all ten major steps leading up to the readiness and acceptance of a modular emergency technology recovery system were met and in a very short period of time, thus utilizing three decades of experience to produce and deliver such a system literally in seven weeks: - EPRI - U.S. Testing and Experience Leading to Introduction to EPRI - Japan and Subsequently TEPCO Emergency Meetings - Three Mile Island (TMI) Media and Vitrification Experience by PNNL - Commercial Nuclear Power Plant Media Experience (including long term Cs removal) - DOE Low Active Waste (LAW) and High Level Waste (HLW) in High Salt and pH Conditions Media and Vitrification Experience - National Laboratory (e.g. Oak Ridge National Laboratory, ORNL) Ground Water Media Experience - Gulf Oil Spill Media Experience in Seawater - All Media Had to be Fully Tested at High Rad Levels in Seawater and Oil Before Arriving in Japan - Final Waste Form and Disposal Experience (e.g., vitrification) - 100 Metric Tons (6000 cubic feet or 220,400 pounds) of Media had to be Immediately Available with the same amount in production as replacement media. [To date, for 2011, 400 MT of media have been prepared for Japan alone.] - Remote Operation, Modular Water Treatment Equipment Design and Fabrication in both Commercial NPP and DOE Canyon Operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Neutronics of Advanced-Fuel Fusion Experiments with DT Triggering

Nuclear fusion studies are currently devoted to the Deuterium-Tritium (DT) fuel cycle, the easiest way to reach ignition. The recent stress on safety by the world community has stimulated the research on other fuel cycles, based on advanced reactions, such as Deuterium-Helium-3 (DHe). With DHe, it is not necessary to breed and fuel tritium. The DHe cycle has a very low presence of energetic fusion neutrons, due to DD and DT side reactions, and it has the possibility to obtain electrical power by direct energy conversion of the protons produced by the fusion reactions. DHe fusion has its own set of problems, such as the availability of {sup 3}He and the attainment of the higher plasma parameters. To explore the possibilities of DHe plasmas, a burning plasma experiment at high magnetic field and high plasma densities is particularly attractive. Ignitor is a proposed compact high-magnetic field tokamak, aimed at studying plasma-burning conditions in Deuterium-Tritium plasmas. The Ignitor experiment is designed to reach ignition under controlled DT burning conditions. The machine parameters have been established, on the basis of existing knowledge of the confinement properties of high density plasmas. The scientific goal of the Ignitor experiment is to approach, for the first time, the ignition conditions of a magnetically confined D-T plasma. However, the plasma density limit in Ignitor being well above the optimal density for DT ignition, is potentially suitable to the higher densities required for DHe burning. In fact, Ignitor has been designed also to explore conditions where 14.7-MeV protons and 3.6-MeV alpha particles produced by the DHe reactions can supply a significant amount of thermal energy to a well-confined plasma. In particular, Ignitor can sustain plasma currents exceeding those required to confine proton orbits at birth, and has more than sufficiently high densities so that the slowing-down time of both the protons and the DT alpha particles is shorter than the electron energy replacement time of the thermal plasma in which they are produced. Preliminary analyses show that a fusion power PF around 2 MW, may be reached. As a start, Ignitor can perform initial studies at the level of approximately 1 MW of power in charged particles from the DHe reaction in a mostly DT plasma. CANDOR, a design evolution of Ignitor in the direction of a reactor using a DHe fuel cycle, has been proposed; it is a feasibility study of a high-field DHe experiment of larger dimensions and higher fusion power than Ignitor, however still based on the core Ignitor technologies. The main characteristics of the CANDOR machine are the following: the major radius Ro is about double than Ignitor, plasma currents up to 25 MA with toroidal magnetic fields B{sub T} = 13 T can be produced. Unlike Ignitor, CANDOR would operate with higher values of poloidal beta around unity and the central part of the plasma column in the Second Stability region. The characteristic times over which the plasma discharge can be sustained are longer by more than a factor of 4 than those of Ignitor. To produce such a strong magnetic field in a larger machine, the toroidal field coils have been divided into two sets of coils and the central solenoid (air core transformer) is placed between them in the inboard part. In CANDOR, the DHe burning regime can be reached, by a combination of ICRF heating and alpha particle heating due to DT fusion reactions, which take the role of a sort of trigger. Thanks to this fact, and unlike other proposed DHe fusion experiments, CANDOR is capable of reaching DHe ignition using the existing technologies, and present knowledge of plasma confinement phenomena. With the initial use of DT, where tritium comprises some 50% of an initial lower density DT plasma, but is not added thereafter, the need for an intense auxiliary heating, which is one of the main technological drawbacks of DHe ignition, would be considerably alleviated, becoming feasible with the present technology. However, this method has the disadvantage of using tritium and of presenting a higher neutron flux (due to DT reactions) than 'pure' DHe plasmas, generating a neutron flux transient when passing from the initial DT trigger reaction to the final DHe burning plasma. However, for an experimental machine one-of-a-kind of relatively small dimensions, this is not an issue. (authors)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Delivery of a Solar-Powered Forward Osmosis Seawater Desalination Plant: Trevi’s 500 m3/day Zero-Carbon FO Seawater Desalination Plant at NELHA

This paper presents an account of Trevi’s delivery of a 500 m3/day solar powered forward osmosis (FO) seawater desalination plant at the Ocean Science and Technology Park of the Natural Energy Laboratory of Hawaii Authority (NELHA). The project aimed to demonstrate the viability of solar thermal-powered desalination for agricultural applications through the integration of a 2MW micro-dish solar thermal array with a state-of-the-art FO system. Highlighted in the paper are the three distinct project phases; Planning and Design, System Construction, Installation & Testing followed finally by System Operation and Optimization. Results and decisions which led to the final plant design will be shared, highlighting how Trevi Systems succeeded in producing a zero-carbon FO seawater desalination plant with a projected Levelized Cost of Water (LCOW) estimate competitive with existing carbon-intensive RO technologies (based on some assumptions and the cost of heat which is required for FO.

14 SOLAR ENERGY↗
DOE OSTI2025

Pulse Shape Discrimination in JSNS 2

JSNS 2 (J-PARC Sterile Neutrino Search at J-PARC Spallation Neutron Source) is an experiment that is searching for sterile neutrinos via the observation of $\overline{ν}$ μ → $\overline{ν}$ e appearance oscillations using neutrinos from muon decay-at-rest. For this search, rejecting cosmic-ray-induced neutron events by Pulse Shape Discrimination (PSD) is essential because the JSNS2 detector is located above ground, on the third floor of the building. We have achieved 94.95% ± 0.15% rejection of neutron events while keeping 92.82% ± 1.77% of signal, electron-like events using a data-driven likelihood method. This article will report the PSD technique using the full fiducial volume of the JSNS2 detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Extended dark energy analysis using DESI DR2 BAO measurements

We conduct an extended analysis of dark energy constraints, in support of the findings of the Dark Energy Spectroscopic Instrument (DESI) second data release cosmology key paper, including DESI data, Planck cosmic microwave background observations, and three different supernova compilations. Using a broad range of parametric and nonparametric methods, we explore the dark energy phenomenology and find consistent trends across all approaches, in good agreement with the 𝑤 0⁢ 𝑤 𝑎⁢ CDM (cold dark matter) key paper results. Even with the additional flexibility introduced by nonparametric approaches, such as binning and Gaussian processes, we find that extending Λ⁢ CDM to include a two-parameter 𝑤⁡(𝑧) is sufficient to capture the trends present in the data. Finally, we examine three dark energy classes with distinct dynamics, including quintessence scenarios satisfying 𝑤 ≥ −1, to explore what underlying physics can explain such deviations. The current data indicate a clear preference for models that feature a phantom crossing; although alternatives lacking this feature are disfavored, they cannot yet be ruled out. Our analysis confirms that the evidence for dynamical dark energy, particularly at low redshift (𝑧 ≲ 0.3), is robust and stable under different modeling choices.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs Using Large Language Models

Abstract We evaluate the ability of machine learning to predict whether a hypothetical crystal structure can be synthesized and explain those predictions to scientists. Fine‐tuned large language models (LLMs) trained on a human‐readable text description of the target crystal structure perform comparably to previous bespoke convolutional graph neural network methods, but better prediction quality can be achieved by training a positive‐unlabeled learning model on a text‐embedding representation of the structure. An LLM‐based workflow can then be used to generate human‐readable explanations for the types of factors governing synthesizability, extract the underlying physical rules, and assess the veracity of those rules. These explanations can guide chemists in modifying or optimizing non‐synthesizable hypothetical structures to make them more feasible for materials design.

Kim, Seongmin [Department of Chemical and Biologic↗
DOE OSTI2025

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs Using Large Language Models

Abstract We evaluate the ability of machine learning to predict whether a hypothetical crystal structure can be synthesized and explain those predictions to scientists. Fine‐tuned large language models (LLMs) trained on a human‐readable text description of the target crystal structure perform comparably to previous bespoke convolutional graph neural network methods, but better prediction quality can be achieved by training a positive‐unlabeled learning model on a text‐embedding representation of the structure. An LLM‐based workflow can then be used to generate human‐readable explanations for the types of factors governing synthesizability, extract the underlying physical rules, and assess the veracity of those rules. These explanations can guide chemists in modifying or optimizing non‐synthesizable hypothetical structures to make them more feasible for materials design.

Kim, Seongmin [Department of Chemical and Biologic↗
DOE OSTI2024

MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Multi-model Mean Nitrogen and Sulfur Deposition from the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP): Evaluation of Historical and Projected Future Changes

We present multi-model global datasets of nitrogen and sulfate deposition covering time periods from 1850 to 2100, calculated within the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP). The computed deposition fluxes are compared to surface wet deposition and ice-core measurements. We use a new dataset of wet deposition for 2000-2002 based on critical assessment of the quality of existing regional network data. We show that for present-day (year 2000 ACCMIP time-slice), the ACCMIP results perform similarly to previously published multi-model assessments. The analysis of changes between 1980 and 2000 indicates significant differences between model and measurements over the United States, but less so over Europe. This difference points towards misrepresentation of 1980 NH3 emissions over North America. Based on ice-core records, the 1850 deposition fluxes agree well with Greenland ice cores but the change between 1850 and 2000 seems to be overestimated in the Northern Hemisphere for both nitrogen and sulfur species. Using the Representative Concentration Pathways to define the projected climate and atmospheric chemistry related emissions and concentrations, we find large regional nitrogen deposition increases in 2100 in Latin America, Africa and parts of Asia under some of the scenarios considered. Increases in South Asia are especially large, and are seen in all scenarios, with 2100 values more than double 2000 in some scenarios and reaching >1300 mgN/m2/yr averaged over regional to continental scale regions in RCP 2.6 and 8.5, ~30-50% larger than the values in any region currently (2000). Despite known issues, the new ACCMIP deposition dataset provides novel, consistent and evaluated global gridded deposition fields for use in a wide range of climate and ecological studies.

ACCMIP↗
DOE OSTI2014

Material Profile Influences in Bulk-Heterojunctions

he morphology in mixed bulk-heterojunction films are compared using three different quantitative measurement techniques. We compare the vertical composition changes using high-angle annular dark-field scanning transmission electron microscopy with electron tomography and neutron and x-ray reflectometry. The three measurement techniques yield qualita-tively comparable vertical concentration measurements. The presence of a metal cathode during thermal annealing is observed to alter the fullerene concentration throughout the thickness of the film for all measurements. However, the abso-lute vertical concentration of fullerene is quantitatively different for the three measurements. The origin of the quantitative measurement differences is discussed. The authors thank Luna Innovations, Inc. for donating the endohedral fullerenes used in this study and Plextronics for the P3HT. They are gratefully thank the National Science Foundation Energy for Sustainability Program, Award No. 0933435. This work benefited from the use of the Lujan Neutron Scattering Center at Los Alamos Neutron Science Center funded by the DOE Office of Basic Energy Sciences and Los Alamos National Laboratory under DOE Contract DE-AC52-06NA25396. This research was also supported in part by Laboratory Directed Research & Development program at PNNL. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy under contract DE-AC05-76RL01830.

blends↗
DOE OSTI2017

GaP/GaNP Heterojunctions for Efficient Solar‐Driven Water Oxidation

The growth and characterization of an n‐GaP/i‐GaNP/p + ‐GaP thin film heterojunction synthesized using a gas‐source molecular beam epitaxy (MBE) method, and its application for efficient solar‐driven water oxidation is reported. The TiO 2 /Ni passivated n‐GaP/i‐GaNP/p + ‐GaP thin film heterojunction provides much higher photoanodic performance in 1 m KOH solution than the TiO 2 /Ni‐coated n‐GaP substrate, leading to much lower onset potential and much higher photocurrent. There is a significant photoanodic potential shift of 764 mV at a photocurrent of 0.34 mA cm −2 , leading to an onset potential of ≈0.4 V versus reversible hydrogen electrode (RHE) at 0.34 mA cm −2 for the heterojunction. The photocurrent at the water oxidation potential (1.23 V vs RHE) is 1.46 and 7.26 mA cm −2 for the coated n‐GaP and n‐GaP/i‐GaNP/p + ‐GaP photoanodes, respectively. The passivated heterojunction offers a maximum applied bias photon‐to‐current efficiency (ABPE) of 1.9% while the ABPE of the coated n‐GaP sample is almost zero. Furthermore, the coated n‐GaP/i‐GaNP/p + ‐GaP heterojunction photoanode provides a broad absorption spectrum up to ≈620 nm with incident photon‐to‐current efficiencies (IPCEs) of over 40% from ≈400 to ≈560 nm. The high low‐bias performance and broad absorption of the wide‐bandgap GaP/GaNP heterojunctions render them as a promising photoanode material for tandem photoelectrochemical (PEC) cells to carry out overall solar water splitting.

Kargar, Alireza↗
DOE OSTI2018

Catalysts synthesized by selective deposition of Fe onto Pt for the water-gas shift reaction

FePt bimetallic catalysts with intimate contact between the two metals were synthesized by controlled surface reactions (CSR) of (cyclohexadiene)iron tricarbonyl with hydrogen-treated supported Pt nanoparticles. Adsorption of the iron precursor on a Pt/SiO2 catalyst was studied, showing that the Fe loading could be increased by performing multiple CSR cycles, and the efficiency of this process was linked to the renewal of adsorption sites by a reducing pretreatment. The catalytic activity of these bimetallic catalysts for the water gas shift reaction was improved due to promotion by iron, likely linked to H2O activation on FeOx species at or near the Pt surface, mostly in the (II) oxidation state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗