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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

The U. S. transportation sector in the year 2030: results of a two-part Delphi survey.

A two-part Delphi Survey was given to transportation experts attending the Asilomar Conference on Transportation and Energy in August, 2011. The survey asked respondents about trends in the US transportation sector in 2030. Topics included: alternative vehicles, high speed rail construction, rail freight transportation, average vehicle miles traveled, truck versus passenger car shares, vehicle fuel economy, and biofuels in different modes. The survey consisted of two rounds -- both asked the same set of seven questions. In the first round, respondents were given a short introductory paragraph about the topic and asked to use their own judgment in their responses. In the second round, the respondents were asked the same questions, but were also given results from the first round as guidance. The survey was sponsored by Argonne National Lab (ANL), the National Renewable Energy Lab (NREL), and implemented by University of California at Davis, Institute of Transportation Studies. The survey was part of the larger Transportation Energy Futures (TEF) project run by the Department of Energy, Office of Energy Efficiency and Renewable Energy. Of the 206 invitation letters sent, 94 answered all questions in the first round (105 answered at least one question), and 23 of those answered all questions in the second round. 10 of the 23 second round responses were at a discussion section at Asilomar, while the remaining were online. Means and standard deviations of responses from Round One and Two are given in Table 1 below. One main purpose of Delphi surveys is to reduce the variance in opinions through successive rounds of questioning. As shown in Table 1, the standard deviations of 25 of the 30 individual sub-questions decreased between Round One and Round Two, but the decrease was slight in most cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Analysis of Vapors from Methylene Chloride Extracts of Nuclear Grade Hepa Filter Fiberglass Samples (Rev.1)

While several organic compounds were detected in the vapor samples used in the reenactment of the preparation of mounts from the extracts of nuclear grade high-efficiency particulate air filter fiberglass samples, the most significant species present in the samples were methylene chloride, phenol, phenol-d6, and 2-fluorophenol. These species were all known to be present in the extracts, but were expected to have evaporated during the preparation of the mounts, as the mounts appeared to be dry before any vapor was collected. These species were present at the following percentages of their respective occupational exposure limits: methylene chloride, 2%; phenol, 0.4%; and phenol-d6, 0.6%. However, there is no established limit for 2-fluorophenol. Several other compounds were detected at low levels for which, as in the case of 2-fluorophenol, there are no established permissible exposure limits. These compounds include 2-chlorophenol; N-nitroso-1-propanamine; 2-fluoro-1,1'-biphenyl; 1,2-dihydroacenaphthylene; 2,5-cyclohexadiene-1,4-dione,2,6-bis(1,1-dimethylethyl); trimethyl oxirane; n-propylpropanamine; 2-(Propylamino)ethanol; 4-methoxy-1-butene; 6-methyl-5-hepten-2-one; and 3,4-dimethylpyridine. Some of these were among those added as surrogates or spike standards as part of the Advanced Technologies and Laboratories International, Inc. preparation of the extract of the HEPA filter media and are indicated as such in the data tables in Section 2, Results; other compounds found were not previously known to be present. The main inorganic species detected (sulfate, sodium, and sulfur) are also consistent with species added in the preparation of the methylene chloride extract of the high-efficiency particulate air sample.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The BiDFET Device and Its Impact on Converters

The matrix converter topology for direct ac-to-ac conversion offers elimination of the bulky and unreliable D.C. link capacitors used in the popular Voltage-Source Inverter (VSI) with a front-end rectifier. The resulting more compact and higher efficiency implementation is a desirable solution for a wide variety of applications, such as photovoltaic energy generation, motor drives, and energy storage systems. The development of matrix converters has been hampered by the lack of availability of commercial bidirectional power switches with the ability to block high voltages in the first and third quadrants, carry on state current in both quadrants with low voltage drop, exhibit large forward-biased safe-operating-area (FBSOA), and low switching power losses. Consequently, many implementations have been tried in the past using discrete devices, as listed in Table I. Two implementations utilize commonly available asymmetric blocking IGBTs, while two cases make use of SiC power MOSFETs. They generally have a large parts count (4-6 individual switches) that occupies significant space in the converter where multiple bi-directional switches are required. They also have a high on-state voltage drop that degrades efficiency. As a result, one implementation utilizes symmetric blocking IGBT to achieve a low parts count (2), but its switching losses are unacceptably high.

42 ENGINEERING↗
DOE OSTI2011

Building America Best Practices Series - Volume 15: 40% Whole-House Energy Savings in the Hot-Humid Climate

This best practices guide is the 15th in a series of guides for builders produced by PNNL for the U.S. Department of Energy’s Building America program. This guide book is a resource to help builders design and construct homes that are among the most energy-efficient available, while addressing issues such as building durability, indoor air quality, and occupant health, safety, and comfort. With the measures described in this guide, builders in the hot-humid climate can build homes that have whole-house energy savings of 40% over the Building America benchmark with no added overall costs for consumers. The best practices described in this document are based on the results of research and demonstration projects conducted by Building America’s research teams. Building America brings together the nation’s leading building scientists with over 300 production builders to develop, test, and apply innovative, energy-efficient construction practices. Building America builders have found they can build homes that meet these aggressive energy-efficiency goals at no net increased costs to the homeowners. Currently, Building America homes achieve energy savings of 40% greater than the Building America benchmark home (a home built to mid-1990s building practices roughly equivalent to the 1993 Model Energy Code). The recommendations in this document meet or exceed the requirements of the 2009 IECC and 2009 IRC and those requirements are highlighted in the text. Requirements of the 2012 IECC and 2012 IRC are also noted in text and tables throughout the guide. This document will be distributed via the DOE Building America website: www.buildingamerica.gov.

Building America↗
DOE OSTI2011

Building America Best Practices Series - Volume 16: 40% Whole-House Energy Savings in the Mixed-Humid Climate

This best practices guide is the 16th in a series of guides for builders produced by PNNL for the U.S. Department of Energy’s Building America program. This guide book is a resource to help builders design and construct homes that are among the most energy-efficient available, while addressing issues such as building durability, indoor air quality, and occupant health, safety, and comfort. With the measures described in this guide, builders in the mixed-humid climate can build homes that have whole-house energy savings of 40% over the Building America benchmark with no added overall costs for consumers. The best practices described in this document are based on the results of research and demonstration projects conducted by Building America’s research teams. Building America brings together the nation’s leading building scientists with over 300 production builders to develop, test, and apply innovative, energy-efficient construction practices. Building America builders have found they can build homes that meet these aggressive energy-efficiency goals at no net increased costs to the homeowners. Currently, Building America homes achieve energy savings of 40% greater than the Building America benchmark home (a home built to mid-1990s building practices roughly equivalent to the 1993 Model Energy Code). The recommendations in this document meet or exceed the requirements of the 2009 IECC and 2009 IRC and those requirements are highlighted in the text. Requirements of the 2012 IECC and 2012 IRC are also noted in text and tables throughout the guide. This document will be distributed via the DOE Building America website: www.buildingamerica.gov.

Building America↗
DOE OSTI2015

SU-E-P-27: Efficient Process for AccuBoost Planning and Treatment Delivery to Minimize Patient Compression Time

Purpose: To implement an efficient and robust process for AccuBoost planning and treatment delivery that can be safely performed by a single Physicist while minimizing patient’s total session time. Methods: Following a thorough commissioning and validation process, templates were created in the brachytherapy planning system for each AccuBoost applicator. Tables of individual and total nominal dwell times for each applicator as a function of separation were generated to streamline planning while an Excel-based nomogram provided by the vendor functions as a secondary verification of the treatment parameters. Tables of surface dose as a function of separation and applicator, along with concise guidance documents for applicator selection, are readily available during the planning process. The entire process is described in a set of detailed Standard Operating Procedures which, in addition to the items described above, include a verbal time-out between the primary planner and the individual performing the secondary verification as well as direct visual confirmation of applicator placement using an articulated mirror. Prior to treatment initiation, a final time-out is conducted with the Radiation Oncologist. Chart documentation is finalized after the patient is released from compression following completion of the treatment. Results: With the aforementioned procedures, it has been possible to consistently limit the time required to prepare each treatment such that the patient is typically under compression for less than 10 minutes per orientation prior to the initiation of the treatment, which is particularly important for APBI cases. This process can be overseen by a single physicist assisted by a dosimetrist and has been optimized during the past 16 months, with 180 treatment sessions safely completed to date. Conclusion: This work demonstrates the implementation of an efficient and robust process for real-time-planned AccuBoost treatments that effectively minimizes the time that the patient is under compression.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Equipment List Comparing Balance of Plant Containing a Heat Pump against a Reference Electricity Generating Plant

Approximately two-thirds of U.S. energy consumption in the industrial and transportation sectors relies on fossil fuels. These sectors require high-quality heat, i.e., thermal energy at very high temperatures, for molecular transformation processes. The Integrated Energy Systems (IES) program aims to assess the economic potential of utilizing nuclear-grade heat from Advanced Reactors (ARs) to meet the high-quality heat demands. By having industrial processes (IPs) supplied with nuclear-generated heat, manufacturers could benefit from more stable and potentially lower energy costs, reducing reliance on volatile fossil fuel markets. The main outcome of the FY24 research was the thermodynamic assessment and gap analysis of steam generation for IP applications. The study completed in June 2024 demonstrated that the required steam temperatures could be achieved by integrating a heat pump into an AR power plant. After identifying the thermal demands of target IPs, multiple balance of plant configurations for the Xe-100 reactor by X-energy, incorporating a heat pump, were analyzed. Their technical feasibilities were assessed, including the design of suitable axial compressors for these applications. Comparative performance analysis showed that thermal efficiency alone is insufficient to evaluate system suitability. To address this, a new indicator (heat factor) was introduced in the report released in September 2024 to quantify the low-quality thermal power needed to produce one unit of high-quality heat for the IP. Results showed that integrating heat pumps into Rankine cycles enables higher steam temperatures, though at the expense of increased thermal energy input. This report builds upon and completes the foundational work previously undertaken. It focuses on the design of two Balance of Plant (BOP) configurations, both based on Rankine energy conversion cycles: “Case 1”, which involves electricity generation only, and “Case 2”, which combines electricity and high-temperature heat generation for industrial use. For each configuration, a comprehensive equipment list was developed, detailing all major components such as turbines, compressors, heat exchangers, pumps, and control systems. These lists will serve as the basis for future comparative cost analyses, with the goal of assessing the number and type of components required to integrate a heat pump into the Rankine cycle and to establish a heat transport system capable of delivering thermal energy from the nuclear plant to an industrial facility. Using the constitutive equations presented in the June 2024 milestone, the operating conditions of all BOP components for both “Case 1” and “Case 2” were evaluated. These parameters—such as temperature, pressure, mass flow rate, and steam quality—served as the basis for calculating the associated thermal and mechanical power flows. The net power required from the heat pump to raise the steam temperature to the target level was also determined. The thermodynamic performance of the configuration was then assessed using the heat factor metric. The key outcome of this analysis is a comparative table that presents the equipment that was used in the “Case 1” and “Case 2” configurations. This study offers a preliminary comparison of the two designs, providing insight into the impact of integrating a heat pump in terms of component requirements and thermal efficiency. This equipment list, together with the evaluated operating conditions, also serves as a foundation for the economic analyses scheduled for the current fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Knowledge Oriented Graph Unified Transformer (KOGUT) v0.1

KOGUT — Knowledge Oriented Graph Unified Transformer KOGUT implements the Relational Graph Transformer (RelGT) architecture for knowledge graph link prediction in biological domains, with a primary focus on microbial growth media prediction. While the original RelGT (arXiv:2505.10960) targets relational tables, time series, and multi-table databases, KOGUT adapts this architecture for heterogeneous biological knowledge graphs, providing first-in-class AI predictive models for microbial cultivation. Key Adaptations Beyond Original RelGT: - Knowledge Graph Focus: Applied to biological KGs with semantic node types (taxa, chemicals, media, phenotypes, environments) versus generic relational database tables, trained on the KG-Microbe knowledge graph (1.3M entities, 2.9M edges, 24 relation types). - Multimodal Node Encoding: Integrates node labels, categories, descriptions, and synonyms from KG metadata through learned embedding layers—adapting relational column features to graph node attributes with textual semantics. - Extended K-Hop Subgraph Strategy: Optimized neighborhood sampling (3-hop default, configurable up to 200 nodes) tuned for sparse biological networks, building on the original local-global attention framework with biological relation preservation. - Biolink Predicate Preservation: Type-specific transformations for 24 biological edge semantics (occurs_in, consumes, produces, has_phenotype, subclass_of) beyond standard relational foreign keys, enabling multi-relation link prediction. - Inductive Learning Support: Enables zero-shot predictions for novel taxa through feature-based embeddings (temperature, oxygen requirements, gram stain, cell shape), extending the original transductive relational benchmark scope to uncultured microorganisms. CheapSOTA Performance Optimizations (This Distribution): - VQ-EMA Centroid Attention: Vector quantization with exponential moving average for improved global context modeling (+5-10% MRR improvement). - HDF5 Precomputed Data Loading: One-time preprocessing of k-hop subgraphs to eliminate redundant graph traversals (2-5× training speedup). - Distributed Data Parallel Training: Multi-GPU support for scaling to larger knowledge graphs (tested on 4× NVIDIA A100 GPUs at NERSC Perlmutter). - Mixed Precision Training: Automatic mixed precision (AMP) for memory efficiency and faster training. Advantages Over Standard Knowledge Graph Embedding Models: Combines RelGT's proven multi-element tokenization (features, type, hop, structure) with graph-native biological representations, enabling interpretable link prediction across heterogeneous entities that standard embedding models (TransE, RotatE, ComplEx) and table-based transformers cannot directly model. Achieves near-perfect performance on microbial growth media prediction (MRR: 0.9966, Precision@1: 0.9932, Hit@10: 1.0000) while maintaining explainability through attention-based reasoning over biological pathways. Training Data: - KG-Microbe merged knowledge graph: 1,379,337 nodes, 2,960,472 edges - 24 biological relation types including taxonomic hierarchies, metabolic interactions, phenotype associations, and environmental relationships - Primary prediction task: Growth media suitability for microbial taxa (biolink:occurs_in, 50K edges) - Multi-relation capability: Predicts links for any of the 24 relation types, including chemical consumption/production, phenotype associations, and taxonomic classification Citation: Original RelGT Architecture: Dwivedi et al., "Relational Graph Transformer", arXiv:2505.10960, 2025 KOGUT Implementation: Knowledge Oriented Graph Unified Transformer for Microbial Growth Media Prediction Developed at Lawrence Berkeley National Laboratory (LBNL) Trained on NERSC Perlmutter supercomputer

Joachimiak, Marcin [Lawrence Berkeley National Lab↗
DOE OSTI2014

An efficient extrapolation to the (T)/CBS limit

We extrapolate to the perturbative triples (T)/complete basis set (CBS) limit using double ζ basis sets without polarization functions (Wesleyan-1-Triples-2ζ or “Wes1T-2Z”) and triple ζ basis sets with a single level of polarization functions (Wesleyan-1-Triples-3ζ or “Wes1T-3Z”). These basis sets were optimized for 102 species representing the first two rows of the Periodic Table. The species include the entire set of neutral atoms, positive and negative atomic ions, as well as several homonuclear diatomic molecules, hydrides, rare gas dimers, polar molecules, such as oxides and fluorides, and a few transition states. The extrapolated Wes1T-(2,3)Z triples energies agree with (T)/CBS benchmarks to within ±0.65 mE{sub h}, while the rms deviations of comparable model chemistries W1, CBS-APNO, and CBS-QB3 for the same test set are ±0.23 mE{sub h}, ±2.37 mE{sub h}, and ±5.80 mE{sub h}, respectively. The Wes1T-(2,3)Z triples calculation time for the largest hydrocarbon in the G2/97 test set, C{sub 6}H{sub 5}Me{sup +}, is reduced by a factor of 25 when compared to W1. The cost-effectiveness of the Wes1T-(2,3)Z extrapolation validates the usefulness of the Wes1T-2Z and Wes1T-3Z basis sets which are now available for a more efficient extrapolation of the (T) component of any composite model chemistry.

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

Unsupervised word embeddings capture latent knowledge from materials science literature

The overwhelming majority of scientific knowledge is published as text, which is difficult to analyse by either traditional statistical analysis or modern machine learning methods. By contrast, the main source of machine-interpretable data for the materials research community has come from structured property databases, which encompass only a small fraction of the knowledge present in the research literature. Beyond property values, publications contain valuable knowledge regarding the connections and relationships between data items as interpreted by the authors. To improve the identification and use of this knowledge, several studies have focused on the retrieval of information from scientific literature using supervised natural language processing, which requires large hand-labelled datasets for training. Here we show that materials science knowledge present in the published literature can be efficiently encoded as information-dense word embeddings (vector representations of words) without human labelling or supervision. Without any explicit insertion of chemical knowledge, these embeddings capture complex materials science concepts such as the underlying structure of the periodic table and structure-property relationships in materials. Furthermore, we demonstrate that an unsupervised method can recommend materials for functional applications several years before their discovery. This suggests that latent knowledge regarding future discoveries is to a large extent embedded in past publications. Lastly, our findings highlight the possibility of extracting knowledge and relationships from the massive body of scientific literature in a collective manner, and point towards a generalized approach to the mining of scientific literature.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Battelle Energy Alliance, LLC (BEA) 2016 Self-Assessment Report for Idaho National Laboratory (INL)

This report provides Battelle Energy Alliance’s (BEA) self-assessment of performance for the period of October 1, 2015, through September 30, 2016, as evaluated against the goals, performance objectives, and notable outcomes defined in the Fiscal Year (FY) 2016 Performance Evaluation and Measurement Plan (PEMP). BEA took into consideration and consolidated all input provided from internal and external sources (e.g., Contractor Assurance System [CAS], program and customer feedback, external and independent reviews, and Department of Energy [DOE] Idaho Operations Office [ID] quarterly PEMP reports and Quarterly Evaluation Reports). The overall performance of BEA during this rating period was self-assessed as “Excellent,” exceeding expectations of performance in Goal 1.0, “Efficient and Effective Mission Accomplishment”; Goal 2.0, “Efficient and Effective Stewardship and Operation of Research Facilities”; and Goal 3.0, “Sound and Competent Leadership and Stewardship of the Laboratory.” BEA met or exceeded expectations for Mission Support Goals 4.0 through 7.0 assessing a final multiplier of 1.0. Table 1 documents BEA’s assessment of performance to the goals and individual performance objectives. Table 2 documents completion of the notable outcomes. A more-detailed assessment of performance for each individual performance objective is documented in the closeout reports (see the PEMP reporting system). Table 3 includes an update to “Performance Challenges” as reported in the FY 2015 Self-Assessment Report.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Path Integral Monte Carlo Simulations of Iron Plasmas (Final Technical Report)

This documents is the final technical report for our grant entitled "Path Integral Monte Carlo Simulations of Iron Plasmas" that focused on developing path integral Monte Carlo (PIMC) computer simulations. This techniques will be developed to study plasmas composed of heavier elements including iron and other third row elements. Equations of state (EOS) and transport properties will be derived in the regime of warm dense matter (WDM) and dense plasmas where existing first-principles methods cannot be applied. While standard density functional theory (DFT) has been used to accurately predict the structure of many solids and liquids up to temperatures on the order of 100,000 K, this method is not applicable at much higher temperature because the number of partially occupied electronic orbitals reaches intractably large numbers or the use of finite-temperature free energy functionals in orbital-free DFT introduces an uncontrolled approximation. Here we focus on PIMC methods that become more and more efficient with increasing temperatures and still include all electronic correlation effects. In this approach, electronic excitations increase the efficiency rather than reduce it. While it had commonly been assumed this method could only be applied to elements without core electrons, we showed that PIMC with free-particle nodes works well for first-row elements (PRL 108 (2012) 115502). Most recently, we extended the applicability range of all-electron PIMC to second-row elements by adopting localized nodal surfaces (PRL 115 (2015) 176403). To simulate third-row elements efficiently under WDM conditions, we propose a new method to remove core electrons by introducing pseudo-nodes. We explain our approach step by step and present preliminary results. We focus our method development on getting PIMC simulations of iron to work because of its fundamental importance for WDM and astrophysics. Then we move on to krypton and copper-doped beryllium, a ICF ablator material. We plan to continue working on key second-row material such as Na, Mg, MgO, Al, silica, and silicon-doped plastic ablators. Our collaborators at LLNL, will use our PIMC EOS data both as comparisons to existing semi-empirical, EOS-generating schemes, and as input for continuum radiation hydrodynamics simulations. We will establish an efficient pipeline from PIMC to macroscopic continuum studies of materials response. An emphasis will be placed on benchmarking such methods for plasmas of heavy elements at the very high temperatures (~100 eV) and low densities that are generated when Hohlraum radiation heats the ablator material in indirect drive laser experiments. Results from changes to the EOS will be of immeasurable importance to the designers at the National Ignition Facility (NIF) and at other facilities. Starting with our EOS of Cu-doped Be, our second collaborator at LLE, will perform real-time simulations of laser fusion experiments at the Omega laser and at the NIF to determine how sensitive the compression path depends on the ablator EOS. Since our collaborator also has experience in performing orbital-free DFT calculations, we propose to compare predictions from this method with PIMC results. In joint publications, we plan to analyze the accuracy of different free-energy functionals in order to understand why existing orbital-free DFT calculations do not predict compression peaks along the shock Hugoniot curve that we see with PIMC. The peaks are caused by the ionization of various electron shells. Their accurate characterization is important to compare with experimental results. We will break new ground by developing PIMC techniques that can simulate iron and all other third row elements in the plasma and WDM regimes. We introduce the concept of pseudo-nodes for the efficient treatment of the core-electrons. The EOS and transport properties will be derived and published online in the form of a new WDM database. Our PIMC EOS calculations will benchmark and possibly replace semi-analytical EOS tables like QEOS or SESAME, which will impact the hydrocode simulation community and will affect the design of NIF targets. Our PIMC results will help to improve the accuracy of orbital-free DFT simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Medium energy heavy ion operations at RHIC

As part of the search for a phase transition or critical point on the QCD phase diagram, an energy scan including 5 different energy settings was performed during the 2010 RHIC heavy ion run. While the top beam energy for heavy ions is at 100 GeV/n and the lowest achieved energy setpoint was significantly below RHICs injection energy of approximately 10 GeV/n, we also provided beams for data taking in a medium energy range above injection energy and below top beam energy. This paper reviews RHIC experience and challenges for RHIC medium energy operations that produced full experimental data sets at beam energies of 31.2 GeV/n and 19.5 GeV/n. The medium energy AuAu run covered two beam energies, both above the RHIC injection energy of 9.8 GeV but well below the standard store energy of 100 GeV (see table 1). The low energy and full energy runs with heavy ions in FY10 are summarized in [1] and [2]. Stochastic Cooling ([3]) was only used for 100 GeV beams and not used in the medium energy run. The efficiency of the transition from 100 GeV operation to 31.2 GeV and then to 19.5 GeV was remarkable. Setup took 32 h and 19 h respectively for the two energy settings. The time in store, defined to be the percentage of time RHIC provides beams in physics conditions versus calendar time, was approximately 52% for the entire FY10 heavy ion run. In both medium energy runs it was well above this average, 68% for 31.5 GeV and 82% for 19.5 GeV. For both energies RHIC was filled with 111 bunches with 1.2 10{sup 9} and 1.3 10{sup 9} ions per bunch respectively.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Discovery of new isotopes in the fragmentation of 82 Se and insights into their production

The production cross sections of neutron-rich nuclei for elements just above 60 Ca were measured at the Facility for Rare Isotope Beams (FRIB). Four previously unobserved isotopes ( 63 Sc, 65,66 Ti, and 68 V) were produced, separated, and identified for the first time using the Advanced Rare Isotope Separator (ARIS). One event was found to be consistent with 61 Ca . The new isotopes were created through the interaction of an 82 Se beam with a carbon target at an energy of 228 MeV/𝑢 and a primary beam current of 1.07 p⁢µ⁢A. The event-by-event particle identification of the mass number (𝐴), atomic number (𝑍), and ionic charge state (𝑞) for the reaction products was achieved by combining measurements of energy loss, time of flight, magnetic rigidity, and total kinetic energy. This successful search for new isotopes, conducted at the beginning of FRIB's third year of operation, highlights the facility's discovery potential, which will continue to grow as the beam current increases. The production cross sections were analyzed in the context of the newly developed Δ⁢𝐵⁢𝐸 systematics that provides trends in neutron-rich regions and increased sensitivity to nuclear binding, an important nuclear structure observable. Furthermore, the new systematics addresses gaps in 𝑄 𝑔 -based methods commonly used to interpret the production cross sections of light neutron-rich elements, and provides an efficient empirical approach to describe cross-section trends across isotopic chains. Good agreement with the measured data was obtained when the Δ⁢𝐵⁢𝐸 systematics and abrasion-ablation calculations were performed using the Hartree-Fock-Bogoliubov (HFB-22) mass table.

59 ≤ A ≤ 89↗
DOE OSTI2020

ESS-DIVE reporting format for leaf-level gas exchange data and metadata

Here we present documentation of the ESS-DIVE reporting format for leaf-level gas exchange data and metadata. This reporting format provides guidance to data contributors on how to store data to maximize their discoverability, facilitate their efficient reuse, and add value to individual datasets. For data users, the reporting format will better allow data repositories to optimize data search and extraction, and more readily integrate similar data into harmonized synthesis products. The reporting format specifies data table variable naming and unit conventions, as well as metadata characterizing experimental conditions and protocols. For common data types that were the focus of this initial version of the reporting format, i.e., survey measurements, dark respiration, carbon dioxide and light response curves, and parameters derived from those measurements, we took a further step of defining required additional data that would maximize the potential reuse of those data types. To aid data contributors and the development of data ingest tools by data repositories we provided a translation table comparing the outputs of common gas exchange instruments. The reporting format presented here is intended to form a foundation for future development that will incorporate additional data types and variables as gas exchange systems and measurement approaches advance in the future. The reporting format documentation is maintained and updated on the ESS-DIVE Community Space GitHub. This data package is the first published version of this reporting format, and comprises a zip file of the complete content of https://github.com/ess-dive-community/essdive-leaf-gas-exchange v1.0. The zip contains the reporting format description, guidelines, variable tables and instructions in GitHub markdown language (*.md) and 2 metadata templates as spreadsheets with drop down options (*.xlsx files, also function in GoogleSheets).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

RR Lyrae in XSTPS: The halo density profile in the north galactic cap

We present a catalog of RR Lyrae stars (RRLs) observed by the Xuyi Schmidt Telescope Photometric Survey (XSTPS). The area we consider is located in the north Galactic cap, covering ≈376.75 deg{sup 2} at α ≈ 150° and δ ≈ 27° down to a magnitude limit of i ≈ 19. Using the variability information afforded by the multi-epoch nature of our XSTPS data, combined with colors from the Sloan Digital Sky Survey, we are able to identify candidate RRLs. We find 318 candidates, derive distances to them, and estimate the detection efficiency. The majority of our candidates have more than 12 observations, and for these we are able to calculate periods. These also allow us to estimate our contamination level, which we predict is between 30% and 40%. Finally, we use the sample to probe the halo density profile in the 9-49 kpc range and find that it can be well fitted by a double power law. We find good agreement between this model and the models derived for the south Galactic cap using the Watkins et al. and Sesar et al. RRL data sets, after accounting for possible contamination in our data set from Sagittarius stream members. We consider non-spherical double power-law models of the halo density profile and again find agreement with literature data sets, although we have limited power to constrain the flattening due to our small survey area. Much tighter constraints will be placed by current and future wide-area surveys, most notably ESA's astrometric Gaia mission. Our analysis demonstrates that surveys with a limited number of epochs can effectively be mined for RRLs. Our complete sample is provided as accompanying online material; as an example the first few entries of each electronic table are shown in the text.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

STARlight: A Monte Carlo simulation program for ultra-peripheral collisions of relativistic ions

© 2016 Elsevier B.V. Ultra-peripheral collisions (UPCs) have been a significant source of study at RHIC and the LHC. In these collisions, the two colliding nuclei interact electromagnetically, via two-photon or photonuclear interactions, but not hadronically; they effectively miss each other. Photonuclear interactions produce vector meson states or more general photonuclear final states, while two-photon interactions can produce lepton or meson pairs, or single mesons. In these interactions, the collision geometry plays a major role. We present a program, STARlight, that calculates the cross-sections for a variety of UPC final states and also creates, via Monte Carlo simulation, events for use in determining detector efficiency. Program summary Program Title: STARlight (v2.2) Program Files doi: http://dx.doi.org/10.17632/xjpf4rxtbj.1 Licensing provisions: GNU GPLv3 Programming Language: C++ External Routines: PYTHIA 8.2 and DPMJET 3.0 are needed for some final states. Nature of problem: The cross-section for ultra-peripheral collisions is obtained by integrating the photon fluxes in transverse impact parameter space, subject to the requirement (which is also impact parameter dependent) that the colliding nuclei do not interact hadronically. The program is a two step process. First, it calculates the cross-sections for the reaction of interest, as a function of W (photon–Pomeron or two-photon center of mass energy), Y (final state rapidity) and pT (final state transverse momentum). Second, STARlight generates Monte Carlo events which can be used to determine cross-sections within specific kinematic constraints or for studies of detector efficiencies. The second step includes the decay of any unstable particles produced in the reaction, with appropriate consideration of particle spins and parity. It outputs these events in ASCII format. Solution method: The program generates a two dimensional look-up table of the production cross-section as a function of final state rapidity and mass. The dimensions of the table are selectable, allowing the user to choose the desired accuracy. For certain final states, a second two-dimensional look-up table, giving the transverse momentum distribution, as a function of rapidity, is also used. With these look-up tables, the program generates final states. Particle decays and the final angular distributions are calculated for each event. Restrictions: The program is focused on ultra-relativistic collisions at Brookhaven's RHIC (Relativistic Heavy Ion Collider) and CERN's LHC (Large Hadron Collider), with final states that are visible in a central detector. At lower energies (i.e., at the CERN SPS), caution should be exercised because STARlight does not account for the longitudinal momentum transfer to the nucleus; this is larger at low beam energies. References: http://starlight.hepforge.org and references in this article.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Constant-complexity stochastic simulation algorithm with optimal binning

At the molecular level, biochemical processes are governed by random interactions between reactant molecules, and the dynamics of such systems are inherently stochastic. When the copy numbers of reactants are large, a deterministic description is adequate, but when they are small, such systems are often modeled as continuous-time Markov jump processes that can be described by the chemical master equation. Gillespie’s Stochastic Simulation Algorithm (SSA) generates exact trajectories of these systems, but the amount of computational work required for each step of the original SSA is proportional to the number of reaction channels, leading to computational complexity that scales linearly with the problem size. The original SSA is therefore inefficient for large problems, which has prompted the development of several alternative formulations with improved scaling properties. We describe an exact SSA that uses a table data structure with event time binning to achieve constant computational complexity with respect to the number of reaction channels for weakly coupled reaction networks. We present a novel adaptive binning strategy and discuss optimal algorithm parameters. We compare the computational efficiency of the algorithm to existing methods and demonstrate excellent scaling for large problems. This method is well suited for generating exact trajectories of large weakly coupled models, including those that can be described by the reaction-diffusion master equation that arises from spatially discretized reaction-diffusion processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗