Purdue University Summer 2019 Newsletter
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96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
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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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Library of Advanced Materials for Engineering (LAME) 4.54
Accurate and efficient constitutive modeling remains a cornerstone issue for solid mechanics analysis. Over the years, the LAMÉ advanced material model library has grown to address this challenge by implementing models capable of describing material systems spanning soft polymers to stiff ceramics including both isotropic and anisotropic responses. Inelastic behaviors including (visco)plasticity, damage, and fracture have all incorporated for use in various analyses. This multitude of options and flexibility, however, comes at the cost of many capabilities, features, and responses and the ensuing complexity in the resulting implementation. Therefore, to enhance confidence and enable the utilization of the LAMÉ library in application, this effort seeks to document and verify the various models in the LAMÉ library. Specifically, the broader strategy, organization, and interface of the library itself is first presented. The physical theory, numerical implementation, and user guide for a large set of models is then discussed. Importantly, a number of verification tests are performed with each model to not only have confidence in the model itself but also highlight some important response characteristics and features that may be of interest to end-users. Finally, in looking ahead to the future, approaches to add material models to this library and further expand the capabilities are presented.
36 MATERIALS SCIENCE↗
Fermilab Technical Publications [PowerPoint]
Public Access Mandate: Many Fermilab papers are the result of collaboration with external researchers. Often the Fermilab author never obtains a copy of the final, accepted version. We have been working with our collaborations to find good practices that will enable us to easily fulfill our responsibility. Our aim is that this becomes a standard procedure in the HEP community.
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Fermilab STI [Slides]
Papers: Review and Release -Well-controlled Review and Release system run by Technical Publications Office (TPO) and Directorate; Scientists receive awareness training on their responsibilities for paper submission and copyright forms; Papers are submitted to TPO by authors; All papers are reviewed by Export Control and Patent teams - Based on abstract submission; Request full-text if necessary - Typically 1-day turn-around; Technical review - Done internally by large collaborations and theorists - Done by Directorate-assigned reviewers for other papers; Paper then ready for release.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
A Section 106 Evaluation of Building CP-1, Area 6, Nevada National Security Site, Nye County, Nevada
On December 17, 2015, the National Nuclear Security Administration Nevada Field Office (NNSA/NFO) vacated Building CP-1 (Building 06-CP-1) on the Nevada National Security Site (NNSS) in Nye County, Nevada. Starting in 1951, nearly all nuclear tests during the Cold War were controlled from this building on the facility, known as the Nevada Test Site for most of its years of operation. The test site was renamed the NNSS in 2010. CP-1 was the command and control center where decisions about NNSS activities were sought and made; where authorization for movements about the areas forward (north) of Mercury base camp were coordinated, granted or declined, and monitored; and where problems and emergencies in the forward areas were communicated and relayed to the appropriate agencies for solution. Some of the testing duties for the Control Point included the timing and firing of nuclear tests, air operations, security, communications, weather monitoring, and radiation safety. During tests, communications were maintained through various channels to receive and pass instructions or information to the numerous testing operations, to Washington, D.C., the national laboratories, and overhead aircraft monitoring the tests. At one time, the Security Control Center, a Class A Weather Station, and the Radiation Safety Headquarters were located in CP-1, which also contained a cafeteria, a dining area, and bunk rooms. This survey was prompted by recognition that closure of the building in place creates a situation where CP-1 is vulnerable to decay in its present and unused condition. Activities at CP-1 have been reduced gradually over time since the end of nuclear testing in 1992. The Area of Potential Effects (APE) was determined by NNSA/NFO to be a two-acre area historically considered the space directly associated with CP-1 and available to CP-1 personnel for use. The APE is bounded on the south by an unnamed main paved road into the guarded Control Point area, on the west by the edge of the parking lot for adjacent Building CP-9, on the east by the edge of the bladed cut-and-fill terrace for CP-1, and on the north by a barbed wire security fence (Figure 2). All of this lot is either bladed or covered with asphalt. Contained within the lot are eight Accessary Resources (AR) which are much more closely aligned with CP-1 than with adjacent buildings. AR are defined by the Nevada State Historic Preservation Office (SHPO) (2013) as “…related but subordinate to the principal building. Accessory resources would not exist were it not for the principal resource.” The Visual APE was determined by NNSA/NFO to be the same as the APE used for intensive survey because no exterior modifications to the resource are anticipated. The APE is located in Section 34 T11S R53E MDBM (projected) within the NNSS base called the Control Point in Area 6. It is on the 1986 Yucca Lake USGS 7.5 min. series topographic quadrangle. The Desert Research Institute (DRI) surveyed the APE with the assistance of National Security Technologies, LLC (NSTec), resulting in recordation and evaluation of CP-1 (SHPO Resource Number B14490) and eight accessory resources (AR1-AR8). This recording of CP-1 was done in three sessions. Copies of the building form and report are on file at Nevada Cultural Resources Information System (NVCRIS), DRI, and with the NNSA/NFO, Las Vegas, Nevada. Control Point refers to the support facilities of which Building CP-1, with its 126 rooms, is the most important part (Campbell et al. 1983:165). CP-1 refers to the entire building but it also is the designation for the first phase of construction, i.e. the original building. There were three major subsequent phases of additions to the building. The first two were called CP-1A (the east wing) and CP-1B (the west wing with the new War Room). A final phase filled in the hyphen between CP-1 and CP-1B with a Field Office. For convenience this last phase is called CP-1C in this report. Hence, CP-1 can refer either the entire building or to the first phase of the building exclusive of additions. The context makes clear which of the two meanings is intended in the various sections of this report. There were also two minor expansions consisting of a small battery room and a shelter for an emergency exit.
54 ENVIRONMENTAL SCIENCES↗
Results of the Collaborative International Evaluated Library Organization (CIELO) Project
Simulation of nuclear systems requires complete data that represents the relevant nuclear physics. This requires many types of experimental measurements, theoretical physics, semi-empirical models and software systems, as well as experts to integrate and guide the process. This discipline is collectively known as nuclear data, and separate programmes within various European countries, the USA, Japan, Russia, and other OECD Nuclear Energy Agency (NEA) member countries have been operating for many decades. The NEA Working Party on International Nuclear Data Evaluation Co-operation (WPEC) exists to improve the quality and completeness of nuclear data by bringing together representatives of the major nuclear data evaluation projects of NEA member countries and selected Invitees. The Sub- and Expert Groups of the WPEC typically focus on specific technical topics, while the Collaborative International Evaluated Library Organisation Pilot Project (CIELO) was established to generate complete evaluations for a selection of the most important isotopes for criticality in nuclear technologies: 235,238 U, 239 Pu, 56 Fe, 16 O and 1 H.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Assimilation of Multiscale Data into Multifidelity Biogeochemical Models (Final Report)
Quantitative predictions of subsurface processes rely on computational models that capture, with different degrees of fidelity, complex interactions between hydrologic and biogeochemical processes. Molecular- and pore-scale models provide a high-fidelity representation of these processes but are impractical at the field scale. Reduced complexity (e.g., field-scale or data-driven) models sacrifice some degree of fidelity in favor of computational efficiency. Uncertainty and assimilation of data into model predictions, pose a question of model selection: Given a significant difference in computational cost, can a lower-fidelity model be preferable to its higher-fidelity counterpart? Since a predictive model must be computable in reasonable time it has to operate at the field scale, with molecular- and pore-scale data (obtained either from simulations or measurements) determining both the model's structure and parameters. Availability of such multi-resolution data raises a question hitherto undressed in hydrogeology: Can a coarse model dynamically ``learn'' its own structure (e.g., adjust the reaction pathways in its transport module) as more fine-scale data become available during simulations? Our results in multifidelity simulations, data assimilation, and machine learning led us to hypothesize that the answer to these questions is ``yes''. The overarching goal of this project was to confirm this hypothesis by developing scalable, computationally efficient tools for assimilation of data into multiscale models, in which fine-scale data and simulations dynamically inform and autonomously modify coarse-scale models. Our research led to nine manuscripts, three of which have been published and the other six are currently under review.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
2017 Renewable Energy Data Book
The Renewable Energy Data Book for 2017 provides facts and figures on renewable energy deployment in the United States, with context of U.S. and global energy trends. Facts include renewable electricity capacity, generation, and capacity additions for U.S. and global electricity and energy as a whole, and for specific renewable electricity generation technologies.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
HR-ITS Customer Service Agreement (FY 2020)
Document intended for training purposes. The purpose of this Customer Service Agreement (CSA) is to formalize the agreement between HR-ITS and a customer who requires services. This agreement describes the specific services to be provided by HR-ITS and the costs that the customer agrees to pay for such services.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
Argonne Leadership Computing Facility (2018 Annual Report)
The Argonne Leadership Computing Facility enables breakthroughs in science and engineering by providing supercomputing resources and expertise to the research community. In 2018, we continued to build up programs and efforts that reinforce our overall simulation, learning, and data analysis capabilities as a facility. We also enhanced our services to better meet our users’ needs and workflow preferences.
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Hydrogen Generation at the ARM Utqiagvik Site
Sandia National Laboratories/New Mexico (SNL/NM Atmospheric Sciences Department 8863 operates the ARM site at Utqiagvik, Alaska as part of the DOE Office of Science Atmospheric Radiation Measurement (ARM) research program. This TWD identifies the hazards, control measures, required training, and procedure for Hydrogen Generation at the Utqiagvik site.
54 ENVIRONMENTAL SCIENCES↗
Readiness Verification for Low/Standard Industrial Hazard (SIH) Facilities/Operations/Activities
This report is a safety form filled out for the ARM/Atmospheric facility at Utqiagvik on 11/18/2019.
54 ENVIRONMENTAL SCIENCES↗
Meteorological services annual data report for 2019
This document presents the meteorological data collected at Brookhaven National Laboratory (BNL) by Meteorological Services (Met Services) for the calendar year 2019. The purpose is to publicize the data sets available to emergency personnel, researchers and facility operations. Met services has been collecting data at BNL since 1949. Data from 1994 to the present is available in digital format. Data is presented in monthly plots of one-minute data. This allows the reader the ability to peruse the data for trends or anomalies that may be of interest to them. Full data sets are available to BNL personnel and to a limited degree outside researchers. The full data sets allow plotting the data on expanded time scales to obtain greater details (e.g., daily solar variability, inversions, etc.).
54 ENVIRONMENTAL SCIENCES↗
Motorcycle Safety Committee [Slides]
This is a presentation to be sent to various DOE sites as a reference for LANL's Motorcycle Safety Committee and includes how to start and sustain a safety committee and organize events. Examples from LANL's program are included. Contacts from Los Alamos National Lab, Lawrence Livermore National Lab, and Idaho National Lab are provided.
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Partnership and Community Engagement [Slides]
Partnerships ensure a strong Laboratory and support our missions. This presentation introduces partnerships then discusses institutes and university engagement, industrial partnerships, and regional pueblos.
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Tight-Binding-Based Method for Simulations of Complex Materials with Accompanying Database
The NRL-Tight-Binding (NRL-TB) method has been applied successfully to many monatomic, binary, and a few ternary systems. The method consists of a fit to Density Functional Theory (DFT) results and has transferability beyond the fitted DFT database including performing tight-binding molecular dynamics simulations. We are working on a new website with a detailed guide of how to use the method in performing the fit to DFT results (Fitting Code) and obtaining non-orthogonal TB parameters expressed in a polynomial form as environment-dependent Slater-Koster parameters (on-site terms), and neighbor distance-dependent Hamiltonian and Overlap terms. These parameters are then used in a Static Code to verify or make predictions for large systems often beyond the computational capabilities of standard DFT codes. Our starting point was a website developed at NRL some years ago which NRL no longer supports. We have now been augmenting that website with new examples of expanding the original capabilities of the method such as incorporating in the codes f-electron states. Our website (esd.cos.gmu.edu/tb) contains two separate branches: One named NRL-TB with the full documentation of the method including source codes and examples. The other branch, named ESD-dB, is a library of electronic structure calculations for all the monatomic elements (a subset of the elements also found in a recent book by the author of this proposal. See reference 22) and an approximately 700 hundred compounds in specific crystal structures. We discuss below the progress made so far in improving and expanding the capabilities of our TB method and the plans for further extensions of our approach.
36 MATERIALS SCIENCE↗
2019 Vehicle Technologies Office Annual Merit Review Report
The 2019 U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy’s (EERE) Vehicle Technologies Office (VTO) Annual Merit Review (AMR) was held June 10-13, 2019, in Arlington, Virginia. The review encompassed work done by VTO: 287 individual activities were reviewed by 272 reviewers. Exactly 1,162 individual review responses were received for the VTO technical reviews. The objective of the meeting was to review the accomplishments and plans for VTO over the previous 12 months, and provide an opportunity for industry, government, and academia to give inputs to DOE on the Office with a structured and formal methodology. The meeting also provided attendees with a forum for interaction and technology information transfer.
03 NATURAL GAS↗