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All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

The Zhamanshin impact feature: A new class of complex crater?

The record of 10-km-scale impact events of Quaternary age includes only two 'proven' impact structures: the Zhamanshin Impact Feature (ZIF) and the Bosumtwi Impact Crater (BIC). What makes these impact landforms interesting from the standpoint of recent Earth history is their almost total lack of morphologic similarity, in spite of similar absolute ages and dimensions. The BIC resembles pristine complex craters on the Moon to first order (i.e., 'U'-shaped topographic cross section with preserved rim), while the ZIF displays virtually none of the typical morphologic elements of a 13- to 14-km-diameter complex crater. Indeed, this apparent lack of a craterlike surficial topographic expression initially led Soviet geologists to conclude that the structure was only 5.5 to 6 km in diameter and at least 4.5 Ma in age. However, more recent drilling and geophysical observations at the ZIF have indicated that its pre-erosional diameter is at least 13.5 km, and that its age is most probably 0.87 Ma. Why the present topographic expression of a 13.5-km complex impact crater less than 1 m.y. old most closely resembles heavily degraded Mesozoic shield craters such as Lappajarvi is a question of considerable debate. Hypotheses for the lack of a clearly defined craterlike form at the ZIF include a highly oblique impact, a low-strength 'cometary' projectile, weak or water-saturated target materials, and anomalous erosion patterns. The problem remains unresolved because typical erosion rates within the arid sedimentary platform environment of central Kazakhstan in which the ZIF is located are typically low; it would require at least a factor of 10 greater erosion at the ZIF in order to degrade the near-rim ejecta typical of a 13.5-km complex crater by hundreds of meters in only 0.87 Ma, and to partially infill an inner cavity with 27 cu km (an equivalent uniform thickness of infill of 166 m). Our analysis of the degree of erosion and infill at the ZIF calls for rates in the 0.19 to 0.38 mm/yr range over the lifetime of the landform, which are a factor of 10 to 20 in excess of typical rates for the Kazakhstan semidesert.

Garvin, J. B.↗
DOE OSTI2014

VISION Model Description and User's Guide: Model Used to Estimate the Impacts of Highway Vehicle Technologies and Fuels on Energy Use and Carbon Emissions to 2100

The VISION model has been developed by the US Department of Energy (DOE) to provide estimates of the potential energy use, oil use, and carbon emission impacts to the year 2100 of advanced light- and heavy-duty highway vehicle technologies and alternative fuels. DOE supports research of advanced transportation technologies (including fuels) and is frequently asked to provide estimates of the potential impacts of successful market penetration of these technologies, sometimes on a relatively-quick turnaround basis. VISION is a spreadsheet model that was created in Microsoft Excel® that can be used to respond rapidly to quick-turnaround requests, as well as for longer-term analyses. It uses vehicle survival and age-dependent usage characteristics to project total light- and heavy-truck stock, total vehicle miles traveled (VMT), and total energy use by technology and fuel type by year, given market penetration and vehicle energy efficiency assumptions developed exogenously. Total carbon emissions for on-highway vehicles by year are also estimated because life-cycle carbon coefficients for various fuels are included in VISION. VISION is not a substitute for the transportation component of the US Energy Information Administration’s (EIA’s) National Energy Modeling System (NEMS). NEMS incorporates a consumer choice model to project market penetration of advanced vehicles and alternative fuels. The projections are made within the context of the entire US economy. However, the NEMS model requires more time to execute and only makes projections to 2040. VISION complements NEMS with its relative ease of use and by extending the time frame of potential analysis beyond 2040. VISION has been used for a wide variety of purposes. For illustration, we have listed some of its most recent and current uses in Table 1. Figures 1 through 4 illustrate the results of some of those runs. These graphs are not actual model outputs, but they are based on model results. Aside from these, the National Petroleum Council and National Academies used VISION in their recent scenario studies. The original VISION model description and user guide were written in 2004 and 2006, respectively. Since then, the VISION model has been upgraded with new features and functions. Based on the previous two documents, this report describes the 2013 version including all of the new features that have been added since 2006. The main body of this report describes VISION’s methodology and data sources. The methodology and data sources used in the light- and heavy-vehicle portions of the model are discussed separately. Some suggestions for future improvements to the model are made.

Zhou, Yan↗
DOE OSTI2024

PyPop: a mature open-source software pipeline for population genomics

Python for Population Genomics (PyPop) is a software package that processes genotype and allele data and performs large-scale population genetic analyses on highly polymorphic multi-locus genotype data. In particular, PyPop tests data conformity to Hardy-Weinberg equilibrium expectations, performs Ewens-Watterson tests for selection, estimates haplotype frequencies, measures linkage disequilibrium, and tests significance. Standardized means of performing these tests is key for contemporary studies of evolutionary biology and population genetics, and these tests are central to genetic studies of disease association as well. Here, we present PyPop 1.0.0, a new major release of the package, which implements new features using the more robust infrastructure of GitHub, and is distributed via the industry-standard Python Package Index. New features include implementation of the asymmetric linkage disequilibrium measures and, of particular interest to the immunogenetics research communities, support for modern nomenclature, including colon-delimited allele names, and improvements to meta-analysis features for aggregating outputs for multiple populations.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Development and application of GASP 2.0

GASP 2.0 represents a major new release of the computational fluid dynamics code in wide use by the aerospace community. The authors have spent the last two years analyzing the strengths and weaknesses of the previous version of the finite-rate chemistry, Navier Stokes solution algorithm. What has resulted is a completely redesigned computer code that offers two to four times the performance of previous versions while requiring as little as one quarter of the memory requirements. In addition to the improvements in efficiency over the original code, Version 2.0 contains many new features. A brief discussion of the improvements made to GASP, and an application using GASP 2.0 which demonstrates some of the new features are presented.

Mcgrory, W. D.↗
DOE OSTI2012

DHS Summary Report -- Robert Weldon

This summer I worked on benchmarking the Lawrence Livermore National Laboratory fission multiplicity capability used in the Monte Carlo particle transport code MCNPX. This work involved running simulations and then comparing the simulation results with experimental experiments. Outlined in this paper is a brief description of the work completed this summer, skills and knowledge gained, and how the internship has impacted my planning for the future. Neutron multiplicity counting is a neutron detection technique that leverages the multiplicity emissions of neutrons from fission to identify various actinides in a lump of material. The identification of individual actinides in lumps of material crossing our boarders, especially U-235 and Pu-239, is a key component for maintaining the safety of the country from nuclear threats. Several multiplicity emission options from spontaneous and induced fission already existed in MCNPX 2.4.0. These options can be accessed through use of the 6th entry on the PHYS:N card. Lawrence Livermore National Laboratory (LLNL) developed a physics model for the simulation of neutron and gamma ray emission from fission and photofission that was included in MCNPX 2.7.B as an undocumented feature and then was documented in MCNPX 2.7.C. The LLNL multiplicity capability provided a different means for MCNPX to simulate neutron and gamma-ray distributions for neutron induced, spontaneous and photonuclear fission reactions. The original testing on the model for implementation into MCNPX was conducted by Gregg McKinney and John Hendricks. The model is an encapsulation of measured data of neutron multiplicity distributions from Gwin, Spencer, and Ingle, along with the data from Zucker and Holden. One of the founding principles of MCNPX was that it would have several redundant capabilities, providing the means of testing and including various physics packages. Though several multiplicity sampling methodologies already existed within MCNPX, the LLNL fission multiplicity was included to provide a separate capability for computing multiplicity as well as including several new features not already included in MCNPX. These new features include: (1) prompt gamma emission/multiplicity from neutron-induced fission; (2) neutron multiplicity and gamma emission/multiplicity from photofission; and (3) an option to enforce energy correlation for gamma neutron multiplicity emission. These new capabilities allow correlated signal detection for identifying presence of special nuclear material (SNM). Therefore, these new capabilities help meet the missions of the Domestic Nuclear Detection Office (DNDO), which is tasked with developing nuclear detection strategies for identifying potential radiological and nuclear threats, by providing new simulation capability for detection strategies that leverage the new available physics in the LLNL multiplicity capability. Two types of tests were accomplished this summer to test the default LLNL neutron multiplicity capability: neutron-induced fission tests and spontaneous fission tests. Both cases set the 6th entry on the PHYS:N card to 5 (i.e. use LLNL multiplicity). The neutron-induced fission tests utilized a simple 0.001 cm radius sphere where 0.0253 eV neutrons were released at the sphere center. Neutrons were forced to immediately collide in the sphere and release all progeny from the sphere, without further collision, using the LCA card, LCA 7j -2 (therefore density and size of the sphere were irrelevant). Enough particles were run to ensure that the average error of any specific multiplicity did not exceed 0.36%. Neutron-induced fission multiplicities were computed for U-233, U-235, Pu-239, and Pu-241. The spontaneous fission tests also used the same spherical geometry, except: (1) the LCA card was removed; (2) the density of the sphere was set to 0.001 g/cm3; and (3) instead of emitting a thermal neutron, the PAR keyword was set to PAR=SF. The purpose of the small density was to ensure that the spontaneous fission neutrons would not further interact and induce fissions (i.e. the mean free path greatly exceeded the size of the sphere). Enough particles were run to ensure that the average error of any specific spontaneous multiplicity did not exceed 0.23%. Spontaneous fission multiplicities were computed for U-238, Pu-238, Pu-240, Pu-242, Cm-242, and Cm-244. All of the computed results were compared against experimental results compiled by Holden at Brookhaven National Laboratory.

42 ENGINEERING↗
DOE OSTI2015

MCNP 2020: Preparing LANL Monte Carlo for Exascale Computer Systems (White Paper)

The MCNP Monte Carlo code for simulating particle transport is the product of over 60 years of Monte Carlo code development at LANL. MCNP is the most-used code worldwide for particle transport in nuclear systems, with over 10,000 users in dozens of application areas. At LANL, MCNP is used extensively in applications for nuclear criticality safety, stockpile stewardship, homeland security, radiological safety, experiment design and analysis, etc., and is considered a critical technology resource for national defense. MCNP is often referred to as the “gold standard” for radiation transport calculations, based on the long development history and extensive validation work. Today, however, this critical technology and its well-deserved reputation are at risk. We propose a targeted effort over the next several years to upgrade the core software portions of the MCNP code. This effort will focus on fundamental structural changes to the underlying MCNP algorithms, data storage, and code architecture. These changes will directly improve code maintainability, reduce the development time for new features, improve the code performance, and make the code more flexible and adaptable for expected future computer systems. To move forward with new computer systems and additional new features, it is vital to have a solid base.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1989

Application and implementation of transient algorithms in computer programs

A brief introduction is given to the nonlinear finite element programs developed at Lawrence Livermore National Laboratory. The four programs are DYNA3D and DYNA2D, which are explicit hydrocodes, and NIKE3D and NIKE2D, which are implicit programs. The main emphasis is on DYNA3D with asides about the other programs. During the past year several new features were added to DYNA3D, and major improvements were made in the computational efficiency of the shell and beam elements. Most of these new features and improvements will eventually make their way into the other programs. The emphasis in the computational mechanics effort was always, and continues to be, efficiency. To get the most out of the supercomputers, all Crays, the programs were vectorized where possible. Several of the more interesting capabilities of DYNA3D will be described and the impact on efficiency will be discussed. Some of the recent work on NIKE3D and NIKE2D will also be presented. In the belief that a single example is worth a thousand equations, the theory is skipped entirely and the examples presented.

Benson, David J.↗
NASA NTRS2010

Definition of the Flexible Image Transport System (FITS), Version 3.0

The Flexible Image Transport System (FITS) has been used by astronomers for over 30 years as a data interchange and archiving format; FITS files are now handled by a wide range of astronomical software packages. Since the FITS format definition document (the "standard") was last printed in this journal in 2001, several new features have been developed and standardized, notably support for 64-bit integers in images and tables, variable-length arrays in tables, and new world coordinate system conventions which provide a mapping from an element in a data array to a physical coordinate on the sky or within a spectrum. The FITS Working Group of the International Astronomical Union has therefore produced this new Version 3.0 of the FITS standard, which is provided here in its entirety. In addition to describing the new features in FITS, numerous editorial changes were made to the previous version to clarify and reorganize many of the sections. Also included are some appendices which are not formally part of the standard. The FITS standard is likely to undergo further evolution, in which case the latest version may be found on the FITS Support Office Web site at http://fits.gsfc.nasa.gov/, which also provides many links to FITS-related resources.

Pence, W. D.↗
DOE OSTI2012

High performance radiation transport simulations: Preparing for TITAN

In this paper we describe the Denovo code system. Denovo solves the six-dimensional, steady-state, linear Boltzmann transport equation, of central importance to nuclear technology applications such as reactor core analysis (neutronics), radiation shielding, nuclear forensics and radiation detection. The code features multiple spatial differencing schemes, state-of-the-art linear solvers, the Koch-Baker-Alcouffe (KBA) parallel-wavefront sweep algorithm for inverting the transport operator, a new multilevel energy decomposition method scaling to hundreds of thousands of processing cores, and a modern, novel code architecture that supports straightforward integration of new features. In this paper we discuss the performance of Denovo on the 20+ petaflop ORNL GPU-based system, Titan. We describe algorithms and techniques used to exploit the capabilities of Titan's heterogeneous compute node architecture and the challenges of obtaining good parallel performance for this sparse hyperbolic PDE solver containing inherently sequential computations. Numerical results demonstrating Denovo performance on early Titan hardware are presented.

Baker, C.↗
DOE OSTI2024

RMCProfile7 : reverse Monte Carlo for multiphase systems

This work introduces a completely rewritten version of the programRMCProfile(version 7), big-box, reverse Monte Carlo modelling software for analysis of total scattering data. The major new feature ofRMCProfile7is the ability to refine multiple phases simultaneously, which is relevant for many current research areas such as energy materials, catalysis and engineering. Other new features include improved support for molecular potentials and rigid-body refinements, as well as multiple different data sets. An empirical resolution correction and calculation of the pair distribution function as a back-Fourier transform are now also available.RMCProfile7is freely available for download at https://rmcprofile.ornl.gov/.

Chemistry↗
NASA NTRS1982

Further developments in the controlled growth approach for optimal structural synthesis

It is pointed out that the use of nonlinear programming methods in conjunction with finite element and other discrete analysis techniques have provided a powerful tool in the domain of optimal structural synthesis. The present investigation is concerned with new strategies which comprise an extension to the controlled growth method considered by Hajela and Sobieski-Sobieszczanski (1981). This method proposed an approach wherein the standard nonlinear programming (NLP) methodology of working with a very large number of design variables was replaced by a sequence of smaller optimization cycles, each involving a single 'dominant' variable. The current investigation outlines some new features. Attention is given to a modified cumulative constraint representation which is defined in both the feasible and infeasible domain of the design space. Other new features are related to the evaluation of the 'effectiveness measure' on which the choice of the dominant variable and the linking strategy is based.

Hajela, P.↗
DOE OSTI2020

Recent Developments in the General Atomic and Molecular Electronic Structure System

A discussion of many of the recently implemented features of GAMESS (General Atomic and Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library associated with GAMESS) is presented. These features include fragmentation methods like the fragment molecular orbital, effective fragment potential and effective fragment molecular orbital methods, hybrid MPI/OpenMP approaches to Hartree-Fock and resolution of the identity second order perturbation theory. Many new coupled cluster theory methods have been implemented in GAMESS, as have multiple levels of density functional/tight binding theory. The role of accelerators, especially graphical processing units, is discussed in the context of the new features of LibCChem, as is the associated problem of power consumption as the power of computers increases dramatically. The process by which a complex program suite like GAMESS is maintained and developed is considered. Future developments are briefly summarized.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Quick-Start Guide to Low-Energy Photon/Electron Transport in MCNP6

A new feature of the particle transport code MCNP6 is the ability to transport photons and electrons below the traditional lower energy limit of 1 keV. Full discussions of this new capability, its supporting data, and its methods, especially the new single-event electron transport, a data-based method that replaces condensed-history in selected energy ranges, will appear in various publications in the near future. In this document, we present a few practical points that users of the new feature will need to know.

61 RADIATION PROTECTION AND DOSIMETRY↗
NASA NTRS2016

Landing Gear Noise Prediction and Analysis for Tube-and-Wing and Hybrid-Wing-Body Aircraft

Improvements and extensions to landing gear noise prediction methods are developed. New features include installation effects such as reflection from the aircraft, gear truck angle effect, local flow calculation at the landing gear locations, gear size effect, and directivity for various gear designs. These new features have not only significantly improved the accuracy and robustness of the prediction tools, but also have enabled applications to unconventional aircraft designs and installations. Systematic validations of the improved prediction capability are then presented, including parametric validations in functional trends as well as validations in absolute amplitudes, covering a wide variety of landing gear designs, sizes, and testing conditions. The new method is then applied to selected concept aircraft configurations in the portfolio of the NASA Environmentally Responsible Aviation Project envisioned for the timeframe of 2025. The landing gear noise levels are on the order of 2 to 4 dB higher than previously reported predictions due to increased fidelity in accounting for installation effects and gear design details. With the new method, it is now possible to reveal and assess the unique noise characteristics of landing gear systems for each type of aircraft. To address the inevitable uncertainties in predictions of landing gear noise models for future aircraft, an uncertainty analysis is given, using the method of Monte Carlo simulation. The standard deviation of the uncertainty in predicting the absolute level of landing gear noise is quantified and determined to be 1.4 EPNL dB.

Guo, Yueping↗
DOE OSTI2016

Supporting the Development of Soft-Error Resilient Message Passing Applications using Simulation

Radiation-induced bit flip faults are of particular concern in extreme-scale high-performance computing systems. This paper presents a simulation-based tool that enables the development of soft-error resilient message passing applications by permitting the investigation of their correctness and performance under various fault conditions. The documented extensions to the Extreme-scale Simulator (xSim) enable the injection of bit flip faults at specific of injection location(s) and fault activation time(s), while supporting a significant degree of configurability of the fault type. Experiments show that the simulation overhead with the new feature is ~2,325% for serial execution and ~1,730% at 128 MPI processes, both with very fine-grain fault injection. Fault injection experiments demonstrate the usefulness of the new feature by injecting bit flips in the input and output matrices of a matrix-matrix multiply application, revealing vulnerability of data structures, masking and error propagation. xSim is the very first simulation-based MPI performance tool that supports both, the injection of process failures and bit flip faults.

Engelmann, Christian↗
DOE OSTI2023

Extension of Argonne’s Plant Dynamics Code (PDC) Capabilities to TerraPower Direct-Cycle Supercritical CO2 (“Pascal”) Nuclear Reactor Concept. Final CRADA report

Argonne National Laboratory (the Contractor) and TerraPower, LLC, (the Participant), entered into a Cooperative Research and Development Agreement (CRADA) to extend the Plant Dynamics Code (PDC) to model the Pascal reactor plant. PDC is the system-level computer code developed at Argonne, primarily for design and transient analysis of supercritical carbon dioxide (sCO2) energy conversion systems for various power plants. Pascal is a supercritical carbon dioxide (sCO2)-cooled direct-cycle nuclear power reactor under development by TerraPower. New features were added to the code to model components and systems specific to the Pascal plant and to make the code readily available as a tool for design, control, and safety analysis for this and other direct-cycle power plants. TerraPower provided design information of the Pascal reactor and the requirements for the development of the new PDC features. Argonne modified the PDC capabilities to introduce the new features.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1993

Nuclear Engine System Simulation (NESS). Version 2.0: Program user's guide

This Program User's Guide discusses the Nuclear Thermal Propulsion (NTP) engine system design features and capabilities modeled in the Nuclear Engine System Simulation (NESS): Version 2.0 program (referred to as NESS throughout the remainder of this document), as well as its operation. NESS was upgraded to include many new modeling capabilities not available in the original version delivered to NASA LeRC in Dec. 1991, NESS's new features include the following: (1) an improved input format; (2) an advanced solid-core NERVA-type reactor system model (ENABLER 2); (3) a bleed-cycle engine system option; (4) an axial-turbopump design option; (5) an automated pump-out turbopump assembly sizing option; (6) an off-design gas generator engine cycle design option; (7) updated hydrogen properties; (8) an improved output format; and (9) personal computer operation capability. Sample design cases are presented in the user's guide that demonstrate many of the new features associated with this upgraded version of NESS, as well as design modeling features associated with the original version of NESS.

Pelaccio, Dennis G.↗
DOE OSTI2020

Generic characterization of electrical test benches for AC- and HVDC-connected wind power plants

The electrical test and assessment of wind turbines go hand in hand with standards and network connection requirements. In this paper, the generic structure of advanced electrical test benches, including grid emulator or controllable grid interface, wind torque emulator, and device under test, is proposed to harmonize state-of-the-art test sites. On the other hand, modern wind turbines are under development towards new features, concerning grid-forming, black-start, and frequency support capabilities as well as harmonic stability and control interaction considerations, to secure the robustness and stability of renewable-energy-based power systems. Therefore, it is necessary to develop new and revised test standards and methodologies to address the new features of wind turbines. This paper proposes a generic test structure within two main groups, including open-loop and closed-loop tests. The open-loop tests include the IEC 61400-21-1 standard tests as well as the additional proposed test options for the new capabilities of wind turbines, which replicate grid connection compliance tests using open-loop references for the grid emulator. In addition, the closed-loop tests evaluate the device under test as part of a virtual wind power plant and perform real-time simulations considering the grid dynamics. The closed-loop tests concern grid connection topologies consisting of AC and HVDC, as well as different electrical characteristics, including impedance, short-circuit ratio, inertia, and background harmonics. The proposed tests can be implemented using available advanced test benches by adjusting their control systems. The characteristics of a real power system can be emulated by a grid emulator coupled with real-time digital simulator systems through a high-bandwidth power-hardware-in-the-loop interface.

17 WIND ENERGY↗