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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 OSTI2024

Evaluated Nuclear Data Library, with ENDL2009.5-direct (2009.5 Rev.)

LLNL’s Nuclear Data and Theory Group have created a 2009.5 revised release of the Evaluated Nuclear Data Library (ENDL2009.5). This library is designed to support LLNL’s current and future nuclear data needs and will be employed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. The ENDL2009 database was the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. It was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/Office of Science’s US Nuclear Data Program. This document lists the revisions and fixes made in a new release called ENDL2009.5, by comparing with the existing data in the previous releases ENDL2009.3 and ENDL2009.4. In addition to the legacy library ENDL2009.5 from ENDL-format files generated by Fete, an ENDL2009.5-direct library is also released, in which ENDF6-formatted sources are used wherever possible to avoid possible translation errors from Fete.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Comparison of SERPENT and CASMO-5M for pressurized water reactors models

The objective of this work is to perform a preliminary assessment of the capability of SERPENT to generate cross sections for a PWR Beginning-of-Life (BOL) isothermal mini-core by comparing a SERPENT/PARCS solution with the results obtained using a CASMO-5M/PARCS approach. The PARCS code is used instead of the usual SIMULATE-3 to analyze the Swiss Reactors, because interfaces with PARCS already exist to obtain neutronic data from SERPENT. For the PWR configurations, the differences between CASMO-5M and SERPENT solutions are within 200 pcm at the assembly level and thus rather small when considering the deterministic transport method (energy/angular/space discretization) in CASMO-5M versus the stochastic treatment of SERPENT, the statistical uncertainties in the Monte-Carlo approach as well as the eventual differences in nuclear data used by both codes. At the 2D mini-core level, no major difference is observed when comparing PARCS run with CASMO-5M versus SERPENT cross sections. For the generation of kinetic parameters, non trivial differences are observed due both to the methods and the data used. For the relatively limited number of configurations considered, it is hard to make any definitive statement on the benefits of using Monte Carlo codes in terms of nuclear data generation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

2011.2 Revision of the Evaluated Nuclear Data Library (ENDL2011.2)

LLNL's Computational Nuclear Physics Group and Nuclear Theory and Modeling Group have col- laborated to create the 2011.2 revised release of the Evaluated Nuclear Data Library (ENDL2011.2). ENDL2011.2 is designed to support LLNL's current and future nuclear data needs and will be em- ployed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. This database is currently the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. This library was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/O ce of Science's US Nuclear Data Program. This document lists the revisions made in ENDL2011.2 compared with the data existing in the original ENDL2011.0 release and the ENDL2011.1-rc4 re- lease candidate of April 2015. These changes are made in parallel with some similar revisions for ENDL2009.2.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

2011.5 Revision of the Evaluated Nuclear Data Library: ENDL2011.5 (legacy and GNDS), and ENDL2011.5-direct

LLNL’s Nuclear Data and Theory Group has created the 2011.5 revised release of the Evaluated Nuclear Data Library (ENDL2011.5). ENDL2011.5 is designed to support LLNL’s current and future nuclear data needs and will be employed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. This database is currently the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. This library was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/Office of Science’s US Nuclear Data Program. This document lists the revisions made in ENDL2011.5 compared with the data existing in the original ENDL2011.2 and ENDL2011.3 releases. These changes are made in parallel with some similar revisions for ENDL2009.5. We also describe ENDL2011.5-direct that directly uses ENDF sources wherever possible.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Assembly and Tracking of Microbial Community Development within a Microwell Array Platform

The development of microbial communities depends on a combination of complex deterministic and stochastic factors that can dramatically alter the spatial distribution and activities of community members. In this study, we have developed a microwell array platform that can be used to rapidly assemble and track thousands of bacterial communities in parallel. This protocol highlights the utility of the platform and describes its use for optically monitoring the development of simple, two-member communities within an ensemble of arrays within the platform. This demonstration uses two mutants of Pseudomonas aeruginosa, part of a series of mutants developed to study Type VI secretion pathogenicity. Chromosomal inserts of either mCherry or GFP genes facilitate the constitutive expression of fluorescent proteins with distinct emission wavelengths that can be used to monitor community member abundance and location within each microwell. This protocol describes a detailed method for assembling mixtures of bacteria into the wells of the array and using time-lapse fluorescence imaging and quantitative image analysis to measure the relative growth of each member population over time. Lastly, the seeding and assembly of the microwell platform, the imaging procedures necessary for the quantitative analysis of microbial communities within the array, and the methods that can be used to reveal interactions between microbial species area all discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Accelerating large scale de novo metagenome assembly using GPUs

Metagenomic workflows involve studying uncultured microorganisms directly from the environment. These environmental samples when processed by modern sequencing machines yield large and complex datasets that exceed the capabilities of metagenomic software. The increasing sizes and complexities of datasets make a strong case for exascale-capable metagenome assemblers. However, the underlying algorithmic motifs are not well suited for GPUs. This poses a challenge since the majority of next-generation supercomputers will rely primarily on GPUs for computation. In this paper we present the first of its kind GPU-Accelerated implementation of the local assembly approach that is an integral part of a widely used large-scale metagenome assembler, MetaHipMer. Local assembly uses algorithms that induce random memory accesses and non-deterministic workloads, which make GPU offloading a challenging task. Our GPU implementation outperforms the CPU version by about 7x and boosts the performance of MetaHipMer by 42% when running on 64 Summit nodes.

Awan, Muaaz Gul↗
DOE OSTI2017

Stochastic Community Assembly: Does It Matter in Microbial Ecology?

Understanding the mechanisms controlling community diversity, functions, succession, and biogeography is a central, but poorly understood, topic in ecology, particularly in microbial ecology. Although stochastic processes are believed to play nonnegligible roles in shaping community structure, their importance relative to deterministic processes is hotly debated. The importance of ecological stochasticity in shaping microbial community structure is far less appreciated. Some of the main reasons for such heavy debates are the difficulty in defining stochasticity and the diverse methods used for delineating stochasticity. Here in this paper, we provide a critical review and synthesis of data from the most recent studies on stochastic community assembly in microbial ecology. We then describe both stochastic and deterministic components embedded in various ecological processes, including selection, dispersal, diversification, and drift. We also describe different approaches for inferring stochasticity from observational diversity patterns and highlight experimental approaches for delineating ecological stochasticity in microbial communities. In addition, we highlight research challenges, gaps, and future directions for microbial community assembly research.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Rational Design of Hierarchically Open-Porous Spherical Hybrid Architectures for Lithium Ion Batteries

Controlling the internal microstructure and overall morphology of building blocks used to form hybrid materials is crucial for the realization of deterministically designed architectures with desirable properties. Here, we demonstrate an integrative spray-frozen (SF) assembly for forming hierarchically structured open-porous microspheres (hpMSs) composed of Fe 3 O 4 and reduced graphene oxide (rGO). The SF process drives the formation of a radially-aligned microstructure within the sprayed colloidal droplets and also controls the overall microsphere morphology. The Fe 3 O 4 /rGO hpMSs contain interconnected open-pores and spherical morphology, which, when used as a lithium-ion battery anode, enables then to provide gravimetric and volumetric capacities of 1069.7 mAh g -1 and 686.7 mAh cm -3 , much greater than those of samples with similar composition and different morphologies. The hpMSs have good rate and cycling performances, retaining 78.5% from 100 to 1000 mA g -1 and 74.6% over 300 cycles. Using in-situ synchrotron x-ray absorption spectroscopy, the reaction pathway and phase evolution of the hpMSs are monitored observing the very small domain size and highly disordered nature of Fe x O y . Here, the reduced capacity fading relative to other conversion systems is due to the good electrical contact between the pulverized Fe x O y particles and rGO, the overall structural integrity of the hpMSs, and interconnected openporosity.

25 ENERGY STORAGE↗
DOE OSTI2012

A trigonal nodal SP3 method with mesh refinement capabilities - Development and verification

The neutronics model of the nodal reactor dynamics code DYN3D developed for 3D analyses of steady states and transients in Light-Water Reactors has been extended by a simplified P{sub 3} (SP{sub 3}) neutron transport option - to overcome the limitations of the diffusion approach at regions with significant anisotropy effects. To provide a method being applicable to reactors with hexagonal fuel assemblies and to furthermore allow flexible mesh refinement, the nodal SP{sub 3} method has been developed on the basis of a flux expansion in triangular-z geometry. In this paper, the derivation of the trigonal SP{sub 3} method is presented in a condensed form and a verification of the methodology on quasi-pin level is performed by means of two single-assembly test examples. The corresponding pin-wise few-group cross sections were obtained by the deterministic lattice code HELIOS. The power distributions were calculated using both the trigonal DYN3D diffusion and SP{sub 3} solver and compared to the HELIOS reference solutions. Close to regions with non-negligible flux gradients, e.g., caused by the presence of a strong absorbing material, the power distribution calculated by DYN3D-SP{sub 3} shows a significant improvement in comparison to the diffusion method. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Block Copolymer Assembly on Nanoscale Patterns of Polymer Brushes Formed by Electrohydrodynamic Jet Printing

Fundamental understanding of the self-assembly of domains in block-copolymers (BCPs) and capabilities in control of these processes are important for their use as nanoscale templates in various applications. This paper focuses on the self-assembly of spin-cast and printed poly(styrene-block-methyl methacrylate) BCPs on patterned surface wetting layers formed by electrohydrodynamic jet printing of random copolymer brushes. Here, end-grafted brushes that present groups of styrene and methyl methacrylate in geometries with nanoscale resolution deterministically define the morphologies of BCP nanostructures. The materials and methods can also be integrated with lithographically defined templates for directed self-assembly of BCPs at multiple length scales. The results provide not only engineering routes to controlled formation of complex patterns but also vehicles for experimental and simulation studies of the effects of chemical transitions on the processes of self-assembly. Importantly, we show that the methodology developed here also provides the means to explore exotic phenomena displayed by the wetting behavior of BCPs, where 3-D soft confinement, chain elasticity, interfacial energies and substrate's surface energy cooperate such that these melts are expected to exhibit non- classical wetting behavior.

Onses, M. Serdar↗
DOE OSTI2020

Secondary-Source Core Reload Modeling with VERA

The CASL reactor simulation package VERA has been adapted to provide high-fidelity simulation capabilities for modeling source range detector response during subcritical reactor configurations. New features include the activation and shuffling of secondary-source assemblies, use of burned fuel neutron emission data from the ORIGEN depletion solver to the MPACT deterministic neutron transport solver, allowance of user-defined sources in MPACT based on material composition, ability to solve the subcritical source-driven system with neutron multiplication using the MPACT diffusion solver, and transfer of the calculated fission source from MPACT to the continuous-energy Monte Carlo solver Shift for final detector response evaluation using the CADIS methodology for variance reduction. These new capabilities were benchmarked against Watts Bar Unit 1 plant operating data for the first few fuel loading steps and were found to demonstrate excellent agreement with the measured data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Source Range Detector Response Modeling using VERA

The CASL reactor simulation package VERA has been adapted to provide high-fidelity simulation capabilities for modeling source range detector response during subcritical reactor configurations. New features include the activation and shuffling of secondary source assemblies, transfer of burned fuel neutron emission data from the ORIGEN depletion solver to the MPACT deterministic neutron transport solver, allowance of user-defined sources in MPACT based on material composition, ability to solve the subcritical source-driven system with neutron multiplication using the MPACT diffusion solver, and transfer of the calculated fission source from MPACT to the continuous energy Monte Carlo solver Shift for final detector response evaluation. These new capabilities were benchmarked against Watts Bar Unit 1 plant operating data and found to be in very good agreement.

Gentry, Cole↗
DOE OSTI2012

Uncertainty analysis on reactivity and discharged inventory for a pressurized water reactor fuel assembly due to {sup 235,238}U nuclear data uncertainties

This paper discusses the uncertainty analysis on reactivity and inventory for a typical PWR fuel element as a result of uncertainties in {sup 235,238}U nuclear data. A typical Westinghouse 3-loop fuel assembly fuelled with UO{sub 2} fuel with 4.8% enrichment has been selected. The Total Monte-Carlo method has been applied using the deterministic transport code DRAGON. This code allows the generation of the few-groups nuclear data libraries by directly using data contained in the nuclear data evaluation files. The nuclear data used in this study is from the JEFF3.1 evaluation, and the nuclear data files for {sup 238}U and {sup 235}U (randomized for the generation of the various DRAGON libraries) are taken from the nuclear data library TENDL. The total uncertainty (obtained by randomizing all {sup 238}U and {sup 235}U nuclear data in the ENDF files) on the reactor parameters has been split into different components (different nuclear reaction channels). Results show that the TMC method in combination with a deterministic transport code constitutes a powerful tool for performing uncertainty and sensitivity analysis of reactor physics parameters. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Riverine bacterioplankton and phytoplankton assembly along an environmental gradient induced by urbanization

In the Anthropocene, human activities are intensifying stresses on biological communities across ecosystems. Knowledge on how environmental changes influence microbial community dynamics is crucial but currently limited. Here we unraveled ecological processes generating distribution patterns of bacterioplankton and phytoplankton communities in a river draining an urbanizing watershed in southern China. In this ecosystem, longitudinal environmental heterogeneity and directional flow potentially have counteracting effects on planktonic community assembly. Using simultaneously multiple approaches, we showed that the observed compositional patterns result from an interplay of stochastic and deterministic processes, indicating that dispersal via fluvial connectivity could not override local selective pressures. Successional shifts in the relative importance of the above processes were associated with trends in climatic factors. High diversity was observed at the intermediate levels of ecological processes alongside intense inter-species interactions maintained by a few keystone taxa. Altogether, interactions between climatic conditions, landscape and hydrology control plankton community dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Long-term nitrogen addition affects the phylogenetic turnover of soil microbial community responding to moisture pulse

How press disturbance (long-term) influences the phylogenetic turnover of soil microbial communities responding to pulse disturbances (short-term) is not fully known. Understanding the complex connections between the history of environmental conditions, assembly processes and microbial community dynamics is necessary to predict microbial response to perturbation. Here, we started by investigating phylogenetic spatial turnover (based on DNA) of soil prokaryotic communities after long-term nitrogen (N) deposition and temporal turnover (based on RNA) of communities responding to pulse by conducting short-term rewetting experiments. The results showed that moderate N addition increased ecological stochasticity and phylogenetic diversity. In contrast, high N addition slightly increased homogeneous selection and decreased phylogenetic diversity. Examining the system with higher phylogenetic resolution revealed a moderate contribution of variable selection across the whole N gradient. The moisture pulse experiment showed that high N soils had higher rates of phylogenetic turnover across short phylogenetic distances and significant changes in community compositions through time. Long-term N input history influenced spatial turnover of microbial communities, but the dominant community assembly mechanisms differed across different N deposition gradients. We further revealed an interaction between press and pulse disturbances whereby deterministic processes were particularly important following pulse disturbances in high N soils.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Mesh generation and energy group condensation studies for the jaguar deterministic transport code

The deterministic transport code Jaguar is introduced, and the modeling process for Jaguar is demonstrated using a two-dimensional assembly model of the Hoogenboom-Martin Performance Benchmark Problem. This single assembly model is being used to test and analyze optimal modeling methodologies and techniques for Jaguar. This paper focuses on spatial mesh generation and energy condensation techniques. In this summary, the models and processes are defined as well as thermal flux solution comparisons with the Monte Carlo code MC21. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Programming Function via Soft Materials (PFvSM) (Final Report)

The PFvSM cluster at the University of Illinois greatly deepened the science of soft materials and expanded the means for embedding within them unprecedented functionalities. We pioneered a mesoscopic approach to materials design that combined leading competencies in fundamental experimental and theoretical soft matter science and fabrication that powerfully establishes equilibrium and nonequilibrium assembly of novel and complex building blocks as a preeminent contributor to progress in materials chemistry. Our cluster’s vision was an integrated program of work centered on soft matter science with the ultimate goal of impacting important energy technologies. As elementary units we employed function-encoded colloids, nanoparticles, large mesh fibrillar gels, deterministically fabricated networks and hybrid objects. These materials were employed as building blocks for diverse model systems that allowed fundamental soft matter principles of wide relevance to be established. Their assembly into materials with useful functional behavior provided new approaches to challenging problems in basic energy science including energy harvesting, transport and storage. To achieve these goals the cluster brought together a team of recognized world-leaders in materials synthesis and processing, in-situ characterization, theory and modeling, and materials design, integration and fabrication

36 MATERIALS SCIENCE↗
DOE OSTI2019

Assessing microbial community patterns under incipient soil formation from basalt

Microbial dynamics drive the biotic machinery of early soil evolution. However, integrated knowledge of microbial community establishment, functional associations, and community assembly processes in incipient soil is lacking. This study presents a novel approach of combining microbial phylogenetic profiling, functional predictions, and community assembly processes to analyze drivers of microbial community establishment in an emerging soil system. Rigorous sub-meter sampling of a basalt-soil lysimeter after two years of irrigation revealed the contrasting depth-dependent distribution patterns of soil parameters and community diversity. Phylogenetic analysis of 16S rRNA gene indicated the presence of diverse bacterial and archaeal phyla, with high relative abundance of Actinobacteria on the surface and a consistently high abundance of Proteobacteria at all depths. Predicted functional gene analysis suggested dominant autotrophy signatures, evidence of an incomplete nitrogen cycle, and predicted enzymes of iron (III) to iron (II) conversion followed by intracellular uptake, transport, and regulation. Null modeling revealed microbial community assembly predominantly governed by variable selection. The relative influence of the variable selection decreased with depth, indicating unique and relatively harsh environmental conditions near the surface and more benign conditions with depth. Additionally, high levels of dispersal influenced community composition near the center of the domain, suggesting that spatial processes interact with deterministic selection imposed by the environment. Characterizing the complexity in incipient soils can advance research insights about microbial community diversity and assembly in other incipient systems (e.g., transformation of marginal soils, or soils recovering from disturbances such as fire, erosion, intensive agricultural practices, or contamination).

Sengupta, Aditi↗