Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “commentary”

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.

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

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Standard experimental paradigm designs and data exclusion practices in cognitive psychology can inadvertently introduce systematic “shadow” biases in participant samples

Abstract Standard cognitive psychology research practices can introduce inadvertent sampling biases that reduce the reliability and generalizability of the findings. Researchers commonly acknowledge and understand that any given study sample is not perfectly generalizable, especially when implementing typical experimental constraints (e.g., limiting recruitment to specific age ranges or to individuals with normal color vision). However, less obvious systematic sampling constraints, referred to here as “shadow” biases, can be unintentionally introduced and can easily go unnoticed. For example, many standard cognitive psychology study designs involve lengthy and tedious experiments with simple, repetitive stimuli. Such testing environments may 1) be aversive to some would-be participants (e.g., those high in certain neurodivergent symptoms) who may self-select not to enroll in such studies, or 2) contribute to participant attrition, both of which reduce the sample’s representativeness. Likewise, standard performance-based data exclusion efforts (e.g., minimum accuracy or response time) or attention checks can systematically remove data from participants from subsets of the population (e.g., those low in conscientiousness). This commentary focuses on the theoretical and practical issues behind these non-obvious and often unacknowledged “shadow” biases, offers a simple illustration with real data as a proof of concept of how applying attention checks can systematically skew latent/hidden variables in the included population, and then discusses the broader implications with suggestions for how to manage and reduce, or at a minimum acknowledge, the problem.

Siritzky, Emma M.↗
DOE OSTI2026

HydraGNN_Predictive_GFM_2026 - Ensemble of predictive graph foundation models for atomistic materials modeling

This release contains data and parameters of HydraGNN-based graph foundation models trained as a result of the work published in the pre-print "Exascale Multi-Task Graph Foundation Models for Imbalanced, Multi-Fidelity Atomistic Data" by M. Lupo Pasini et al. (https://arxiv.org/abs/2604.15380). We jointly train on 16 open first-principles datasets (544+ million structures covering 85+ elements) using a multi-task architecture with per-dataset heads and a scalable ADIOS2/DDStore data pipeline. On Frontier, we execute six large-scale DeepHyper hyperparameter optimization campaigns in FP64 and promote the top-performing message-passing models to sustained 2,048-node training, yielding a PaiNN-based lead model. The version of HydraGNN used to generate the outputs provided in this release is HydraGNN v5.0 (https://github.com/ORNL/HydraGNN/releases/tag/v5.0) The list of datasets used for the training of the graph foundation model is the following: 1) Alexandria [1] 2) ANI1x [2] 3) MPTrj [3] 4) Open Catalyst 2020 (OC20) [4] 5) Open Catalyst 2022 (OC22) [5] 6) Open Catalyst 2025 (OC25) [6] 7) Open Direct ir Capture 2023 (ODAC23) [7] 8) Open Materials 2024 (OMat24) [8] 9) Open Molecules 2025 (OMol25) [9] 10) OMol25-neutral (subset of OMol25 that contains only molecules with zero total charge) 11) OMol25-non-neutral (subset of OMol25 that contains only molecules with non-zero total charge) 12) Open Polymers 2026 (OPoly2026) [10] 13) Nabla2DFT [11] 14) QCML [12] 15) QM7X [reference 13] 16) transition1x [14] Dataset references: [1] J. Schmidt et al., “A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals,” Scientific Data, vol. 9, p. 64, 2022. [2] J. S. Smith et al., “The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules,” Scientific Data, vol. 7, p. 134, 2020. [Online]. Available: https: //www.nature.com/articles/s41597-020-0473-z [3] A. Jain et al., “Commentary: The Materials Project: A materials genome approach to accelerating materials innovation,” APL Materials, vol. 1, no. 1, p. 011002, 07 2013. [Online]. Available: https://doi.org/10.1063/1.4812323 [4] L. Chanussot et al., “Open catalyst 2020 (oc20) dataset and community challenges,” ACS Catalysis, vol. 11, no. 10, pp. 6059–6072, 2021. [Online]. Available: https://doi.org/10.1021/acscatal.0c04525 [5] K. Tran et al., “Open catalyst 2022 (oc22) dataset and challenges for oxidation electrocatalysts,” ACS Catalysis, vol. 13, no. 5, pp. 3066–3084, 2023. [Online]. Available: https://doi.org/10.1021/acscatal.2c05426 [6] S. J. Sahoo et al., “The open catalyst 2025 (oc25) dataset and models for solid-liquid interfaces,” arXiv preprint arXiv:2509.17862, 2025. [Online]. Available: https://arxiv.org/abs/2509.17862 [7] A. Sriram et al., “The open DAC 2023 dataset and challenges for sorbent discovery in direct air capture,” ACS Central Science, vol. 10, no. 5, pp. 923–941, 2024. [8] L. Barroso-Luque et al., “Open materials 2024 (omat24) inorganic materials dataset and models,” 2024. [Online]. Available: https://arxiv.org/abs/2410.12771 [9] D. S. Levine et al., “The open molecules 2025 (OMol25) dataset, evaluations, and models,” 2025. [Online]. Available: https://arxiv.org/abs/2505.08762 [10] D. S. Levine et al., The open polymers 2026 (OPoly26) dataset and evaluations,” arXiv preprint arXiv:2512.23117, 2025. [Online]. Available: https://arxiv.org/abs/2512.23117 [11] K. Khrabrov et al., “Nabla2dft: A universal quantum chemistry dataset of drug-like molecules and a benchmark for neural network potentials,” in NeurIPS 2024 Datasets and Benchmarks Track, 2024. [Online]. Available: https://openreview.net/forum?id=ElUrNM9U8c [12] S. Ganscha et al., “The QCML dataset, quantum chemistry reference data from 33.5M DFT and 14.7B semi-empirical calculations,” Scientific Data, vol. 12, p. 406, 2025. [13] J. Hoja et al., “QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules,” Scientific Data, vol. 8, p. 43, 2021. [Online]. Available: https://www.nature.com/articles/s41597-021-00812-2 [14] M. Schreiner et al., “Transition1x - a dataset for building generalizable reactive machine learning potentials,” Scientific Data, vol. 9, p. 779, 2022. The folder "datasets_ADIOS2_format" contains the set of pre-processed datasets in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used for the development and training of GFMs in this work. The "datasets_ADIOS2_format" directory contains 2 sub-directories, one for the version "v1" of the datasets and one for the version "v2" of the datasets. The version "v1" of the datasets provides values of the total energy as they are extracted from the original data as it was released by the respective institutions. The version "v2" of the datasets provides values of the energy that have been realigned. The realignment was performed by training a linear regression model that predicts the total energy as a function of the chemical composition of the atomistic structure, and then subtract such prediction from the original value of the total energy. Both folders "v1" and "v2" contain 16 sub-directories, each corresponding to an ADIOS2-formatted dataset The folder "DeepHyper-results" contains the configurational files and model's parameters for all the 186 HPO trials that were successfully completed by the scalable hyperparameter optimization (HPO) runs on Frontier. The content of the folder "DeepHyper-results" I structured as follows: 1) task-list.txt: list of mpnn name, jobid, and deephyper task id 2) gfm_${MPNN}_${JOBID}_0.${TASKID}: run directory with checkpoint files 3) gfm_${MPNN}: deephyper summary directory (*.csv) for each specific MPNN type 4) deephyper-experiment-${JOBID}: output and error logs for each job The file "deephyper-sorted.csv" contains the details of each HydraGNN model built and tested by HPO, obtained by merging the (*.csv) filed from each HPO run executed. Out of all the HPO trials, we selected 10 to continue the training of the respective HydraGNN models. Due to limited computational budget available in the LRN070 allocation we could not complete the training till convergence for all these 10 selected models. The folder "models" contains multiple sub-folders, one per each HydraGNN model trained. Each model sub-folder contains the parameters of each HydraGNN model, with multiple checkpoint-restarts. The list of sub-folders are as follows: 1) multidataset_hpo-BEST1-fp64 2) multidataset_hpo-BEST2-fp64 3) multidataset_hpo-BEST3-fp64 4) multidataset_hpo-BEST4-fp64 5) multidataset_hpo-BEST5-fp64 6) multidataset_hpo-BEST6-fp64 7) multidataset_hpo-BEST7-fp64 8) multidataset_hpo-BEST8-fp64 9) multidataset_hpo-BEST9-fp64 10) multidataset_hpo-BEST10-fp64 Within each one of these folders, additional auxiliary log files are provided with descriptions about how the training proceeded. The lead PaiNN-model is contained inside "multidataset_hpo-BEST6-fp64". The file "mlp_branch_weights" contains the parameters of the multi-layer perceptron (MLP) used to reconcile the predictions of the 16 output decoding heads of the HydragNN architectures. The MLP takes in input the chemical composition of the atomistic structure and predicts averaging weights to linearly mix the predictions of each output decoding head toward consolidating them into a single one. The folder "1.1billion-structure-inference" contains 1.1 billion atomistic structures randomly generated. Each structures is associated with energy and forces predicted with the lead-PaiNN model combined with the MLP model for reconciliation of the multi-branch predictions generated by the 16 output decoding heads. The folder "1.1billion-structure-inference" contains 9,300 (*.tar.gz) subdirectories, one per Frontier compute node used to execute the inference at exascale. Once uncompressed, each (*.tar.gz) subdirectory contains an ADIOS2 (*.bp) file container, where each atomistic structure is stored as a PyTorch-Geometric Data object. The file "export_dataset_environment_variables.sh" contains the environment variables that need to be set before running the HydraGNN code to reproduce the results provided in this dataset release. The code that can be used to load the ADIOS2 files, load HydraGNN models, and run inference is available at: https://github.com/ORNL/HydraGNN/releases/tag/v5.0

36 MATERIALS SCIENCE↗
DOE OSTI2026

Automated Vehicle Feasibility Study

This study collected automated vehicle (AV) performance data on public roadways in Athens, Ohio. The route for the study contained a combination of roads with different functional classifications, conditions, annual average daily traffic, and ownership responsibilities for maintenance and repair. Preparation for the public road deployment was done in a controlled environment at Transportation Research Center’s SMARTCenter, a dedicated AV test facility in East Liberty, Ohio. Researchers analyzed data and extracted insights relevant for both AV developers and infrastructure owners and operators. The study found that rural environments offer a unique set of roadway features such as hills and curves, which can challenge the driving behavior of an AV. Rural regions can also contain a large number of low-traffic gravel roads that lack pavement markings, which appear to be a crucial infrastructure element for operation of current generation AVs. Similarly, the presence of well-maintained lane lines along curves can influence the AV’s roadway departure tendencies. The study found that curvature-related behavior of an AV is also influenced by driving speed on the roadway segment. Such findings were consistent regardless of the time of day along the route or season of data collection. However, commentary about AV performance in active adverse weather cannot be made, as this is still an area of active research.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Nurturing transformative U.S. energy research: Two guiding principles [Nurturing U.S. energy research: Two guiding principles]

Energy research is critical to continuing advances in human productivity and welfare. In this Commentary, we raise for debate and discussion what in our view is a growing mis-control and mis-protection of U.S. energy research. This flawed approach originates in natural human tendencies exacerbated by an historical misunderstanding of research and development, science and technology, and the relationships between them. We outline the origin of the mis-control and mis-protection, and propose two guiding principles to mitigate them and instead nurture research: (i) focus on people, not projects; and (ii) culturally insulate research from development, but not science from technology. As a result, our hope is to introduce these principles into the discourse now, so they can help guide policy changes in U.S. energy research and development that are currently being driven by powerful geopolitical winds.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2012

Science and Technology Review March 2012

This month's issue has the following articles: (1) Honoring a Legacy of Service to the Nation - The nation pays tribute to George Miller, who retired in December 2011 as the Laboratory's tenth director; (2) Life-Extension Programs Encompass All Our Expertise - Commentary by Bruce T. Goodwin; (3) Extending the Life of an Aging Weapon - Stockpile stewards have begun work on a multiyear effort to extend the service life of the aging W78 warhead by 30 years; (4) Materials by Design - Material microstructures go three-dimensional with improved additive manufacturing techniques developed at Livermore; (5) Friendly Microbes Power Energy-Producing Devices - Livermore researchers are demonstrating how electrogenic bacteria and microbial fuel cell technologies can produce clean, renewable energy and purify water; and (6) Chemical Sensor Is All Wires, No Batteries - Livermore's 'batteryless' nanowire sensor could benefit applications in diverse fields such as homeland security and medicine.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2012

Science & Technology Review June 2012

This month's issue has the following articles: (1) A New Era in Climate System Analysis - Commentary by William H. Goldstein; (2) Seeking Clues to Climate Change - By comparing past climate records with results from computer simulations, Livermore scientists can better understand why Earth's climate has changed and how it might change in the future; (3) Finding and Fixing a Supercomputer's Faults - Livermore experts have developed innovative methods to detect hardware faults in supercomputers and help applications recover from errors that do occur; (4) Targeting Ignition - Enhancements to the cryogenic targets for National Ignition Facility experiments are furthering work to achieve fusion ignition with energy gain; (5) Neural Implants Come of Age - A new generation of fully implantable, biocompatible neural prosthetics offers hope to patients with neurological impairment; and (6) Incubator Busy Growing Energy Technologies - Six collaborations with industrial partners are using the Laboratory's high-performance computing resources to find solutions to urgent energy-related problems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2012

Science and Technology Review, July/August 2012; Energetic Materials Center

This month's issue has the following articles: (1) Energetic Materials Research Finds an Enduring Home and Mission - Commentary by Bruce T. Goodwin; (2) A Home for Energetic Materials and Their Experts - The Energetic Materials Center has become the National Nuclear Security Administration's go-to facility for high explosives formulation, testing, and expertise; (3) A Spectra-Tacular Sight - Scientists use spectrographic techniques and a high-powered telescope to study the atmospheric composition of exoplanets; (4) Seismic Data Pinpoint Fractures for Geothermal Energy - Livermore researchers are developing advanced microseismic analysis techniques to understand what happens beneath Earth's surface, where hot rock can provide an energy source; and (5) Employees Keep Up with the Times - The Laboratory's Education Assistance Program helps its workforce stay productive, skilled, and dynamic.

15 GEOTHERMAL ENERGY↗
DOE OSTI2012

Science and Technology Review April/May 2012

This month's issue has the following articles: (1) Lawrence Livermore as the 'Go-To' National Security Laboratory - Commentary by Penrose (Parney) C. Albright; (2) Launching Traffic Cameras into Space - The Space-Based Telescopes for Actionable Refinement of Ephemeris project is designing nanosatellites to more accurately determine the trajectory of space objects orbiting Earth; (3)An Improved Tool for Nuclear Forensics - Resonance ionization mass spectrometry provides rapid isotopic analysis for studying materials derived from nuclear events; (4) A Simple Way to Better Protect Soldiers against Head Trauma - A modest increase in the foam padding used in Army helmets could significantly reduce brain injuries; and (5) Shocking Aluminum for Greater Understanding - Experiments using a laser beam to hit a thin film of aluminum provide an unprecedented look into the physics of shock waves traveling through a metal.

42 ENGINEERING↗
DOE OSTI2014

The Artisanal Nuke

There have been many words written about the value and importance of nuclear disarmament. There have been many words written about the value and importance to the U.S. defense posture of nuclear weapons. This thesis will not be about either one of those points of view. The commentary will not purport to tell anyone that there is a need or there is not a need for one nuclear weapon or thousands of nuclear weapons. This study is more about, "well, they are here -- now what?"

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2015

NSR&D Program Fiscal Year (FY) 2015 Call for Proposals Mitigation of Seismic Risk at Nuclear Facilities using Seismic Isolation

Seismic isolation (SI) has the potential to drastically reduce seismic response of structures, systems, or components (SSCs) and therefore the risk associated with large seismic events (large seismic event could be defined as the design basis earthquake (DBE) and/or the beyond design basis earthquake (BDBE) depending on the site location). This would correspond to a potential increase in nuclear safety by minimizing the structural response and thus minimizing the risk of material release during large seismic events that have uncertainty associated with their magnitude and frequency. The national consensus standard America Society of Civil Engineers (ASCE) Standard 4, Seismic Analysis of Safety Related Nuclear Structures recently incorporated language and commentary for seismically isolating a large light water reactor or similar large nuclear structure. Some potential benefits of SI are: 1) substantially decoupling the SSC from the earthquake hazard thus decreasing risk of material release during large earthquakes, 2) cost savings for the facility and/or equipment, and 3) applicability to both nuclear (current and next generation) and high hazard non-nuclear facilities. Issue: To date no one has evaluated how the benefit of seismic risk reduction reduces cost to construct a nuclear facility. Objective: Use seismic probabilistic risk assessment (SPRA) to evaluate the reduction in seismic risk and estimate potential cost savings of seismic isolation of a generic nuclear facility. This project would leverage ongoing Idaho National Laboratory (INL) activities that are developing advanced (SPRA) methods using Nonlinear Soil-Structure Interaction (NLSSI) analysis. Technical Approach: The proposed study is intended to obtain an estimate on the reduction in seismic risk and construction cost that might be achieved by seismically isolating a nuclear facility. The nuclear facility is a representative pressurized water reactor building nuclear power plant (NPP) structure. Figure 1: Project activities The study will consider a representative NPP reinforced concrete reactor building and representative plant safety system. This study will leverage existing research and development (R&D) activities at INL. Figure 1 shows the proposed study steps with the steps in blue representing activities already funded at INL and the steps in purple the activities that would be funded under this proposal. The following results will be documented: 1) Comparison of seismic risk for the non-seismically isolated (non-SI) and seismically isolated (SI) NPP, and 2) an estimate of construction cost savings when implementing SI at the site of the generic NPP.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Global Social Media Directory. A Resource Guide

Social media platforms are internet-based applications focused on broadcasting user-generated content. While primarily web-based, these services are increasingly available on mobile platforms. Communities and individuals share information, photos, music, videos, provide commentary and ratings/reviews, and more. In essence, social media is about sharing information, consuming information, and repurposing content. Social media technologies identified in this report are centered on social networking services, media sharing, blogging and microblogging. The purpose of this Resource Guide is to provide baseline information about use and application of social media platforms around the globe. It is not intended to be comprehensive as social media evolves on an almost daily basis. The long-term goal of this work is to identify social media information about all geographic regions and nations. The primary objective is that of understanding the evolution and spread of social networking and user-generated content technologies internationally.

blogs↗
DOE OSTI2016

Improving the representation of soluble iron in climate models

Funding from this grant supported Rachel Sanza, Yan Zhang and partially Samuel Albani. Substantial progress has been made on inclusion of mineralogy, showing the quality of the simulations, and the impact on radiation in the CAM4 and CAM5 (Scanza et al., 2015). In addition, the elemental distribution has been evaluated (and partially supported by this grant) (Zhang et al., 2015), showing that using spatial distributions of mineralogy, improved resperentation of Fe, Ca and Al are possible, compared to the limited available data. A new intermediate complexity soluble iron scheme was implemented in the Bulk Aerosol Model (BAM), which was completed as part of Rachel Scanza’s PhD thesis. Currently Rachel is writing up at least two first author papers describing the general methods and comparison to observations (Scanza et al., in prep.), as well as papers describing the sensitivity to preindustrial conditions and interannual variability. This work lead to the lead PI being asked to write a commentary in Nature (Mahowald, 2013) and two review papers (Mahowald et al., 2014, Mahowald et al., submitted) and contributed to related papers (Albani et al., 2016, Albani et al., 2014, Albani et al., 2015).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

The MARS Code System User’s Guide Version 15(2016)

This paper is a user’s guide to the current version of the MARS15 Monte Carlo code. MARS allows inclusive and, in many cases, exclusive simulations of three-dimensional hadronic and electromagnetic cascades and modeling of heavy ion, muon and low energy neutron-photon transport in accelerator, detector, spacecraft and shielding components. Particles can have energies from a fraction of an electronvolt up to about 100 TeV. The code has undergone substantial improvements since the last documented version MARS13(95) and since previous releases of MARS15; all these as well as other specific features of the MARS code system are explained in detail. Descriptions of general input and output with commentary and recommendations are given. Examples are given for running the program with distributed sources, complex compounds, arbitrary geometries, and magnetic fields. A built-in graphical-user interface allows the visualization and detailed analysis of the geometry description. Enhanced options are described for the MARS code being coupled with: the DPMJET hadron event generator, the MCNP code for low-energy neutron transport, the ANSYS system for thermal and stress analysis, physics analysis and graphics packages, the MAD accelerator lattice description via a universal MAD-MARS beam line builder, the STRUCT program for tracking particles in accelerator lattices with beam loss recording, the DETRA code for nuclide decay and transmutation calculations, the EGS5 code for precise modeling of low-energy electromagnetic showers, and the ROOT system for description and visualization of arbitrary geometries. Use of the code in a multistage mode, coupled with event generators (DPMJET), with the STRUCT program for tracking particles in accelerator lattices with beam loss recording, and with physics analysis and graphics packages is demonstrated with typical input and output examples.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Final Report on "Collaborative Research to Narrow Uncertainties in Precipitation and the Hydrological Cycle in Climate Models"

The central objectives of this work have been to explore and improve the depiction of precipitation and related processes in climate models by developing and analyzing observations and their gridded analyses, and developing new approaches and metrics. All three groups worked with the NCAR-based Community Earth System Model (CESM) and international community Climate Model Inter-comparison Project version 5 (CMIP5) models in various ways. At NCAR and SUNYA an initial focus was on the observational record, including updating of the river discharge dataset. A major focus at NCAR was extensive work on new datasets of hourly precipitation from CMORPH (observations) and CESM, and commentary on and validation of the CESM. SUNYA contributed to the comparison and evaluation of existing precipitation products widely used in climate research, the analysis of precipitation characteristics in CESM and other CMIP5 models, and decadal precipitation variability associated with decadal variability. At NCAR and SUNYA work was focused on the frequency and intensity of precipitation, including their dependence on the temporal and spatial resolution of the data used to calculate the frequency and intensity, as well as additional analyses on the effects of precipitation data uncertainties on the estimated historical drying trends. LLNL focused on the diurnal cycle. New insights have resulted in the characteristics of precipitation (frequency, intensity, amount, duration, diurnal cycle, covariability in space and time) and evaluation of these in models. In general models perform poorly and this provides a much-needed focus on what aspects of models are greatly in need of improvement. A substantial number of papers have now been published on these topics. The focus on the characteristics of precipitation and not just amount also provides a natural entrée into examining the extremes of precipitation, that are very important to the general public in terms of impacts. Examples are the deluges from Florence and Harvey, and extensive work has been performed on the latter. On the other side of the coin, considerable work has been performed on dry spells and drought, including improvements in a drought index. There has been considerable outreach to the general public, especially through the media, but also via talks and lectures, and a strong educational component at SUNYA. For example, the Harvey paper has an altimetrics rating of 827 and is the highest for any paper from that journal, it is at the 99th percentile of all papers of the same age, and is in the top 95 percent of all papers. The energy cycle and ocean heat content has been another focus. The entire atmospheric energy cycle has been reformulated and applied to the latest data to include effects from the enthalpy of precipitation. Relationships between ocean heat content and sea level rise have also been extensively explored in observations and models, with new insights into the role of Mount Pinatubo volcanic eruption on distorting and hiding the accelerating sea level rise. This work has been also widely featured in news media. The “year without a summer” has also been explored in the past using models, and how changes in the vertical structure and stability of the ocean with a warming climate may influence a future such volcanic event by amplifying the surface temperature response.

58 GEOSCIENCES↗
DOE OSTI2016

Performance, Efficiency, and Effectiveness of Supercomputers

Our primary purpose here is to offer to the general technical and policy audience a perspective on whether the supercomputing community should focus on improving the efficiency of supercomputing systems and their use rather than on building larger and ostensibly more capable systems that are used at low efficiency. After first summarizing our content and defining some necessary terms, we give a concise answer to this question. We then set this in context by characterizing performance of current supercomputing systems on a variety of benchmark problems and actual problems drawn from workloads in the national security, industrial, and scientific context. We also answer some related questions, identify some important technological trends, and offer a perspective on the significance of these trends. We hope by doing so to better equip the reader to evaluate commentary and controversy concerning supercomputing performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Application of Next-Generation Sequencing to Engineering mRNA Turnover in Cyanobacteria

This early career project began on July 15th, 2013, and concluded on July 14th, 2018. The project was staffed by three post-doctoral fellows and two graduate students. Three rotation students, one undergraduate, one high school student, and two summer REU have also worked on the project. The chief objective of the project was to develop a deeper understanding of how messenger RNA molecules are recycled in two bacterial species 1.) Escherichia coli and 2.) cyanobacteria Synechococcus sp. PCC7002 by applying next generation nucleic acid sequencing technologies. We succeeded in developing tools and approaches for performing these experiments and developed a better understanding of RNA turnover in each organism. We now have a better understanding of RNA molecules cut by RNase III, a common class of endonuclease, in both organisms and a global map of RNA turnover in cyanobacteria – the first of its kind for this class of microbe. To disseminate our findings, we published six primary research manuscripts as of the deposition of this report and expect to publish two others in 2019. We have deposited two sets of RNA sequencing data into a public database in support of our manuscripts. We have also published three reviews and commentaries of related topics. Dr. Gina Gordon, a funded graduate student defended her thesis in 2018 based on work performed in the course of the project. Dr. Travis Korosh defended his thesis in 2018 based in part on work performed in the course of the project. Dr. Jeffrey Cameron, now an Assistant Professor at CU-Boulder, Dr. Andrew Markley, and Dr. Michael Engstrom also worked on the project as post-doctoral researchers. In summary, the project has discovered new molecular biology information, trained five full-time researchers, deposited novel datasets in a public repository, and published research articles and presentations to disseminate our findings.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Performance Efficiency and Effectivness of Supercomputers

Our first purpose here is to offer to a general technical and policy audience a perspective on whether the supercomputing community should focus on improving the efficiency of supercomputing systems and their use rather than on building larger and ostensibly more capable systems that are used at low efficiency. After first summarizing our content and defining some necessary terms, we give a concise answer to this question. We then set this in context by characterizing performance of current supercomputing systems on a variety of benchmark problems and actual problems drawn from workloads in the national security, industrial, and scientific context. Along the way we answer some related questions, identify some important technological trends, and offer a perspective on the significance of these trends. Our second purpose is to give a reasonably broad and transparent overview of the related issue space and thereby to better equip the reader to evaluate commentary and controversy concerning supercomputing performance. For example, questions repeatedly arise concerning the Linpack benchmark and its predictive power, so we consider this in moderate depth as an example. We also characterize benchmark and application performance for scientific and engineering use of supercomputers and offer some guidance on how to think about these. Examples here are drawn from traditional scientific computing. Other problem domains, for example, data analytics, have different performance characteristics that are better captured by different benchmark problems or applications, but the story in those domains is similar in character and leads to similar conclusions with regard to the motivating question.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Design Guidance for High Temperature Concentrating Solar Power Components

This report provides guidance for the design of components for concentrating power facilities operating at high temperatures and undergoing high, secondary thermal stresses relative to the applied primary pressure stress. The design rules were developed for the design of Generation 3 CSP tubular receivers manufactured from Alloy 740H, but are generally applicable to a wide range of component types undergoing similar loads. Part 1 of the report provides procedural design rules for components to be used in conjunction with the 2019 edition of the ASME Boiler & Pressure Vessel Code. Part 2 provides corresponding design data for Alloy 740H. Part 3 of the report is a commentary describing the rationale behind the design rules and the data underlying the design material properties. Finally, Part 4 provides an extensive set of worked sample problems detailing the application of the rules to CSP components.

24 POWER TRANSMISSION AND DISTRIBUTION↗