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At least 1,567 records · Page 87

Zero-Order Reaction Kinetics

Zero-order Reaction Kinetics (Zero-RK) is a software package that simulates chemically reacting systems in a computationally efficient manner. The fundamental advance embodied in Zero-RK is the numerical approach, which results in orders-of-magnitude reduction in simulation time while maintaining the accuracy of the results.

Mcnenly, MatthewJ↗

Prescient

Prescient is a software package for simulating electricity grid (power systems) operations, under both nominal and extreme event conditions. Core functionality includes discrete event simulation, commitment and dispatch optimization, probabilistic scenario construction, and reporting/visualization. SAND2020-0169 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Watson, Jean Paul↗

Zero-Order Reaction Kinetics v3.0

Zero-RK is a software package that simulates chemically reacting systems using sparse, preconditioned, adaptive matrix methods to achieve orders-of-magnitude reduction in simulation time while maintaining accurate results.

Mcnenly, MatthewJ.↗

Zero-Order Reaction Kinetics

Zero-RK is a software package that simulates chemically reacting systems using sparse, preconditioned, adaptive matrix methods to achieve orders-of-magnitude reduction in simulation time while maintaining accurate results

Lapointe, Simon↗

Zero-Order Reaction Kinetics v. 3.4.hip

Zero-RK is a software package that simulates chemically reacting systems using sparse, preconditioned, adaptive matrix methods to achieve orders-of-magnitude reduction in simulation time while maintaining accurate results.

Mcnenly, MatthewJ↗

SIDSIM (Sub-Interval Distribution Simulation) [SWR-17-22]

This software is based on a distribution function to represent a variable value over a time-step in time-series simulation of a photovoltaic or wind system, with application to other types of variable-output generator such as wave power. This invention offers important benefits over prior art. Prior art assumes a constant value for each parameter over the duration of each time-step. The form of the distribution function is determined by a maximum value (kW), a minimum value (kW) and energy (kWh) for each time step, and integration of this distribution function provides information such as energy in excess of some threshold (inverter capacity, interconnect capacity, on-site load, etc) and energy delivered under any such specified threshold. Results such as maximum power that can be exported from a distributed generation system are determined and very important for energy systems integration.

Walker, Andy↗

Zero-Order Reaction Kinetics v. 3.6

Zero-RK is a software package that simulates chemically reacting systems using sparse, preconditioned, adaptive matrix methods to achieve orders-of-magnitude reduction in simulation time while maintaining accurate results.

McNenly, MatthewJ [Lawrence Livermore National Lab↗

HiTEM

SAND2025-03438O HiTEM3d v1.0 is a user-friendly software designed to simulate how electromagnetic signals move through large geological environments, particularly around wellbores. It helps geophysicists and resource explorers understand subsurface conditions more effectively and affordably. By simplifying complex geological models, HiTEM3d allows users to visualize and analyze electromagnetic fields, making it easier to identify valuable resources like minerals or water. Its efficient processing capabilities ensure quick results, making it an essential tool for anyone involved in geophysical research or exploration. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Weiss, Chester [Sandia National Lab. (SNL-CA), Liv↗

Fortran mimetic abstraction language (Formal) v0.1.

The Fortran mimetic abstraction language ("Formal") is a domain-specific language (DSL) embedded in Fortran 202Y [1]. Formal provides novel software abstractions for simulating phenomena governed by the partial differential equations (PDEs) of vector and tensor calculus. Such equations model an extremely broad set of physical phenomena, ranging from atmospheric winds to light propagation. Formal's data structures and algorithms mimic in form and behavior continuous functions and operators. Formal supports these mathematical constructs using mimetic discretizations that define a discrete calculus satisfying various tensor calculus theorems, thereby ensuring high-fidelity representations of the physics being modeled. [2] Formal 0.1.0 also lays a foundation for the future use of Fortran 202Y type-safe templates to facilitate the formal verification of tensor contractions in computational physics and artificial intelligence [3]. [1] "Fortran 202Y" is Fortran standard committee's informal designation for the next Fortran revision, which will likely be "Fortran 2028". [2] Corbino, J. and Castillo, J. (2020) Journal of Computational and Applied Mathematics, https://doi.org/10.1016/j.cam.2019.06.042. [3] Haveraaen, M., Järvi, J., & Rouson, D. (2019). Reflecting on Generics for Fortran. https://j3-fortran.org/doc/year/19/19-188.pdf.

Rouson, Damian [Lawrence Berkeley National Laborat↗

HIGRAD/FIRETEC

This is the public-facing repository for the LANL-developed and maintained HIGRAD/FIRETEC software, a CFD software designed to simulate the coupled fire-atmospheric processes at a landscape-scale of resolution. Distribution is possible under OSS license O5086.

Josephson, Alexander [Los Alamos National Laborato↗

Powersheds

Powersheds is an open scientific software project for simulating river–reservoir cascades. It combines the performance of Rust with a friendly Python interface to model storage, pool elevation, head, releases, spills, routing lags, and power generation at hourly resolution. Designed for coupling with power-system models, simulations are driven by plant-level target power schedules and report realized generation after accounting for hydrologic and operational constraints.

Turner, Sean [Oak Ridge National Laboratory (ORNL)↗

Multigroup Radiation-Hydrodynamics with a High-Order, Low-Order Method

Recent efforts at Los Alamos National Laboratory to develop a moment-based, scale-bridging [or high-order (HO)–low-order (LO)] algorithm for solving large varieties of the transport (kinetic) systems have shown promising results. A part of our ongoing effort is incorporating this methodology into the framework of the Eulerian Applications Project to achieve algorithmic acceleration of radiationhydrodynamics simulations in production software. By starting from the thermal radiative transfer equations with a simple material-motion correction, we derive a discretely consistent energy balance equation (LO equation). We demonstrate that the corresponding LO system for the Monte Carlo HO solver is closely related to the original LO system without material-motion corrections. We test the implementation on a radiative shock problem and show consistency between the energy densities and temperatures in the HO and LO solutions as well as agreement with the semianalytic solution. We also test the approach on a more challenging two-dimensional problem and demonstrate accuracy enhancements and algorithmic speedups. This paper extends a recent conference paper by including multigroup effects.

42 ENGINEERING↗

SpaceWire model development technology for satellite architecture.

Packet switched data communications networks that use distributed processing architectures have the potential to simplify the design and development of new, increasingly more sophisticated satellite payloads. In addition, the use of reconfigurable logic may reduce the amount of redundant hardware required in space-based applications without sacrificing reliability. These concepts were studied using software modeling and simulation, and the results are presented in this report. Models of the commercially available, packet switched data interconnect SpaceWire protocol were developed and used to create network simulations of data networks containing reconfigurable logic with traffic flows for timing system distribution.

33 ADVANCED PROPULSION SYSTEMS↗

Strip2CubeFace user%3CU%2B2019%3Es manual.

Commercial Off The Shelf (COTS) software for producing linked virtual tours based on 360 degree panoramas are becoming more and more available. However, the best current products for taking the images, stitching them into 360 degree panoramas, and then linking them together into complex virtual tours require different and incompatible input and output formats. This program is designed to bridge the gap between the iPix Interactive Studio export format, which consists of a single JPEG with the six faces of a cube connected horizontally, with the six individual JPEGs needed to be imported into Panotour Pro software. This report describes how to use the software program Strip2CubeFace, which takes the cube-strip JPEG exported from iPix Studio and coverts it into six JPEGs representing the six cube faces that Panotour Pro imports. As such, it represents a necessary link between the two COTS software programs key to making virtual tours quickly and easily. It becomes one member of the suite of software programs known as %E2%80%9CRaPP-TOURS%E2%80%9D or Rapid Processing of PanoTours Software necessary to simulate managed access and other permission requesting arms control-type training exercises.

Forden, Geoffrey Ethan↗

A Computational-Experimental Study of Plasma Processing of Carbides at High Temperatures

The effects of plasma on carbides were computationally investigated for the ultimate development of adherent, dense scales such as Al 2 O 3 -TiO 2 systems toward oxidation resistance at 1873 K. An alumina scale forms on the carbide because of the significant stability of Al 2 O 3 as the outer scale adjacent to the gas phase compared to rutile, though TiO and Ti 2 O 3 may form as components of an inner layer of a complicated scale. A sequence of surface reactions starting with the adsorption of oxygen on the surface was applied to experimental data from Donnelly’s research group who reported the adsorption of O 2 in a plasma atmosphere as a function of power. In addition to the adsorbed oxygen (Oad) as the rate determining step, it controlled the cascading reaction sequence of the adsorbed species of AlO, AlO 2 and AlO 3 , as indicated in the present study. The rate of oxygen adsorption also depends on the ratio of the final to initial adsorbed oxygen as a function the oxygen potential. In a secondary research thrust, Ti 3 AlC was synthesized and subsequently oxidized. A 39Ti-14Al-47TiC (in wt%) mixture was equilibrated by using a pseudo-isopiestic technique to form ultimately an aggregate of Ti3AlC, Ti 2 AlC and TiC phases. The aggregate was primarily composed of Ti 3 AlC with minor amounts of Ti 2 AlC and TiC, as determined by an X-ray diffraction analysis. The Ti 3 AlC/Ti 2 AlC/TiC aggregate was subsequently oxidized at 1873 K to form a scale composed of an outer layer of Al 2 O 3 -TiO 2 -Al 2 TiO 5 with an inner layer consisting of TiO-Al 2 O 3 - Al 4 CO 3 . The measured scale thickness grew according to Wagner’s parabolic growth rate, which estimates an effective diffusion coefficient of 6 (10)-8 cm 2 /s. The scale appears to grow with Ti ions migrating outward from the Ti 3 AlC/Ti 2 AlC/TiC core and oxygen ions diffusing inwardly toward the core. The transient temperature distribution of a cylindrical, carbide packed bed (i.e., B4C) was simulated with COMSOL software to determine the response of the bed to a sudden temperature spike exposed to the outer wall of the bed. The temperature distribution of B4C was similarly heated and compared with Hf and Zr metal. The thermal conductivity of Hf and Zr is higher than the B4C packed bed and hence they respond quicker than B4C. The packed bed still takes approximately 1200 s to plateau the temperature distribution between the cylinder surfaces to the centerline of the carbide packed bed of 5 cm diameter. Though the modeling of the distributions in the carbide packed bed gives an understanding of the transient heat response behavior driven by radiation, the effect of the plasma on the surface temperature of individual carbide particles needs further investigation to understand the plasma contribution to densification of a carbide packed bed.

36 MATERIALS SCIENCE↗

Material Protection, Accounting, and Control Technologies (MPACT) Advanced Integration Roadmap

The development of sustainable advanced nuclear fuel cycles is a long-term goal of the Office of Nuclear Energy’s (DOE-NE) Fuel Cycle Technologies program. The Material Protection, Accounting, and Control Technologies (MPACT) campaign is supporting research and development (R&D) of advanced instrumentation, analysis tools, and integration methodologies to meet this goal (Miller, 2015). This advanced R&D is intended to facilitate safeguards and security by design of fuel cycle facilities. The lab-scale demonstration of a virtual facility, distributed test bed, that connects the individual tools being developed at National Laboratories and university research establishments, is a key program milestone for 2020. These tools will consist of instrumentation and devices as well as computer software for modeling, simulation and integration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Material Protection, Accounting, and Control Technologies (MPACT) Advanced Integration Roadmap

The development of sustainable advanced nuclear fuel cycles is a long-term goal of the Office of Nuclear Energy’s (DOE-NE) Fuel Cycle Technologies program. The Material Protection, Accounting, and Control Technologies (MPACT) campaign is supporting research and development (R&D) of advanced instrumentation, analysis tools, and integration methodologies to meet this goal (Miller, 2015). This advanced R&D is intended to facilitate safeguards and security by design of fuel cycle facilities. The lab-scale demonstration of a virtual facility, distributed test bed, that connects the individual tools being developed at National Laboratories and university research establishments, is a key program milestone for 2020. These tools will consist of instrumentation and devices as well as computer software for modeling, simulation and integration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Final Technical Report: Mu2e at the City University of New York

This DOE grant award for was for the period June 1, 2013 to March 31, 2016. Popp was awarded an internship in the Visiting Faculty Program at FNAL in summer of 2015; consequently the unused portion of summer salary funds allowed us to apply for a no-cost extension with our remaining funds until March 31, 2017. That support furnished us with the means to carry out numerous successful projects for Mu2e for nearly four years. Up to now, the driving force to our work has been dictated primarily by the Mu2e Project cost and schedule needs. Our work has been under the purview of three of the Working Groups to which we belong: Target Station, Electron Tracker, and Stopping Target Monitor. We have carried out a mix of bench-top testing tasks locally, more elaborate work at Fermilab every summer, and extensive software development and simulation studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗