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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Requirements Description of DASSH-F

This report reviews the modeling and simulation capabilities of Argonne National Laboratory’s DASSH code that is used in present reactor analysis activities. These capabilities will be used to establish the set of verification tasks necessary to verify DASSH for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The DASSH program is a thermal analysis code designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. DASSH is a follow-on development to the SE2-ANL software and SUPERENERGY-2 software that it is based upon. DASSH was designed to account for both neutron and gamma heating and is inherently connected to the GAMSOR part of the ARC suite of fast reactor analysis software. SE2-ANL is a developed piece of software from the 1980s while DASSH is a modern implementation with notable improvements in geometry handling. The most important upgrade of DASSH relative to SE2-ANL is that it can analyze multiple time points in a single run where SE2-ANL can only treat a single time point. This allows the user to understand the impact of and search the flow distribution for the entire operational period of a reactor design considering pressure drop, peak coolant and fuel temperatures, and thermal striping. DASSH has three input paths that have to be verified. The first input path builds the geometry and power distribution based upon the DIF3D model but ignores the gamma heating aspects of the problem. The second input path also builds the geometry from the DIF3D model but it takes the neutron and gamma heating distributions from GAMSOR. The third input path is to take the geometry and power distribution directly from user input (i.e. not coupled to DIF3D or GAMSOR). DASSH also has many built in correlations for material properties along with a user defined specification of the fuel, structure, and coolant properties. There are correlations for flow split, mixing, pressure drop, and heat transfer coefficients (subchannel rather than a direct methodology). In total, verification of DASSH will require an extensive testing to cover all possible user features of the software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2011

Acoustic Testing of Flight Hardware Using Loudspeakers: How Much do We Know About This Method of Testing?

Loudspeakers have been used for acoustic qualification of spacecrafts, reflectors, solar panels, and other acoustically responsive structures for more than a decade. Even though a lot of hardware has been acoustic tested using this method, the nature of the acoustic field generated by controlling an ensemble of speakers with and without the hardware in the test volume has not been thoroughly investigated. Limited measurements from some of the recent speaker tests used to qualify flight hardware have indicated significant spatial variation of the acoustic field within the test volume. Also structural responses have been reported to differ when similar tests were performed using reverberant chambers. Unlike the reverberant chamber acoustic test, for which the acoustic field in most chambers is known to be diffuse except below several tens of Hz where acoustic standing waves and large spatial variations exist, the characteristics of the acoustic field within the speaker test volume has not been quantified. It has only been recently that a detailed acoustic field characterization of speaker testing has been made at Jet Propulsion Laboratory (JPL) with involvement of various organizations. To address the impact of non-uniform acoustic field on structures, a series of acoustic tests were performed using a flat panel and a 3-ft cylinder exposed to the field controlled by speakers and repeated in a reverberant chamber. The analysis of the data from this exercise reveals that there are significant differences both in the acoustic field and in the structural responses. In this paper the differences between the two methods are reviewed in some detail and the over- or under-testing of articles that could pose un-anticipated structural and flight qualification issues are discussed. A framework for discussing the validity of the speaker acoustic testing method with the current control system and a path forward for improving it will be provided.

Acoustics↗
DOE OSTI2021

Quantifying the Long‐Range Coupling of Electronic Properties in Proteins with ab initio Molecular Dynamics**

Abstract The delicate interplay of covalent and non‐covalent interactions in proteins is inherently quantum mechanical and highly dynamic in nature. To directly interrogate the evolving nature of the electronic structure of proteins, we carry out 100‐ps‐scale ab initio molecular dynamics simulations of three representative small proteins with range‐separated hybrid density functional theory. We quantify the nature and length‐scale of the coupling of residue‐specific charge probability distributions in these proteins. While some nonpolar residues exhibit expectedly narrow charge distributions, most polar and charged residues exhibit broad, multimodal distributions. Even for nonpolar residues, we observe sequence‐specific deviations corresponding to charge accumulation or depletion that would be challenging to capture in a fixed charge force field. We quantify the effect of residue‐residue interactions on charge distributions first with linear cross‐correlations. We then show how additional insight can be gained from evaluating the mutual information of charge distributions. We show that a significant number of residues couple most strongly with residues that are distant in both sequence and space over a range of secondary structures including α‐helical, β‐sheet, disulfide bridging, and lasso motifs. The mutual information analysis is necessary to capture coupling between some polar and charged residues that would be otherwise missed.

Yang, Zhongyue↗
DOE OSTI2023

Refined views of ancient ocean chemistry: Tracking trace element incorporation in pyrite framboids using atom probe tomography

The trace element chemistry of pyrite can be used to determine the origin, timing, and conditions of formation of ore deposits; as a vectoring tool for mineral exploration; and to determine the evolution of the Earth’s oceanic and atmospheric chemistry. However, little is known about whether trace elements are held with the pyrite structure or within nano-inclusions of other phases. This distinction is important for two primary reasons. First, trace element incorporation into the pyrite structure can affect the partitioning of other trace elements. Second, if trace elements are held within nano-inclusions, the partition coefficient of the mineral phases that make up the nano-inclusion, rather than pyrite, are the critical consideration in related interpretations. Previous studies addressing this topic have used laser ablation inductively coupled plasma mass spectrometry; however, the resulting data do not provide sufficient spatial resolution to delineate trace element distributions unless the inclusions are large. Further, they use these flat element profiles in time resolved laser ablation output graphs to argue that pyrite trace element content provides a direct relationship between trace element content of seawater and pyrite trace element content. To improve resolution, we have used atom probe tomography to characterize trace element distributions in pyrite framboids from the Cariaco Basin and Demerara Rise in three-dimensions at sub-nanometer resolution. Manganese was found to be concentrated in the pyrite nanocrystal part of the original framboid structure. In contrast, Ni was mostly found along the grain boundary, though it still appeared to be contained within the pyrite structure. Copper was concentrated in later pyrite overgrowths, and As varied in its location. These observations suggest that some important trace elements are incorporated into pyrite during early diagenesis, even in euxinic settings dominated by water-column pyrite formation. Statistical analysis was used to determine whether trace elements were incorporated in the lattice or within nanoscale inclusions (referred to here are nano-inclusions). We found that As, Ni, Cu, and Mn were commonly held within the pyrite structure, but As, Ni, and Cu can also be held as nano-inclusions or within grain interfaces. Incorporation of As is known to enhance the incorporation of other trace elements and in this case appears to correlated to elevated Ni and Cu concentrations in the Cariaco Basin samples. Furthermore, understanding these relationships strongly impacts our ability to utilize pyrite trace metal concentrations to analyze and quantify early ocean chemistry and its evolution through time.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

Modeling of the Coupled Magnetospheric and Neutral Wind Dynamos

Over the past four years of funding, SRI, in collaboration with the University of Texas at Dallas, has been involved in assessing the influence of thermospheric neutral winds on the electric field and current systems at high latitudes. The initial direction of the project was to perform a set of numerical experiments concerning the contribution of the magnetospheric and neutral wind dynamo processes, under specific boundary conditions, to the polarization electric field and/or the field-aligned current distribution at high latitudes. To facilitate these numerical experiments we developed a numerical scheme that relied on using output from the NCAR Thermosphere-Ionosphere General Circulation Model (NCAR-TIGCM), expanding them in the form of spherical harmonics and solving the dynamo equations spectrally. Once initial calculations were completed, it was recognized that the neutral wind contribution could be significant but its actual contribution to the electric field or currents depended strongly on the generator properties of the magnetosphere. Solutions to this problem are not unique because of the unknown characteristics of the magnetospheric generator, therefore the focus was on two limiting cases. One limiting case was to consider the magnetosphere as a voltage generator delivering a fixed voltage to the high-latitude ionosphere and allowing for the neutral wind dynamo to contribute only to the current system. The second limiting case was to consider the magnetosphere as a current generator and allowing for the neutral wind dynamo to contribute only to the generation of polarization electric fields. This work was completed and presented at the l994 Fall AGU meeting. The direction of the project then shifted to applying the Poynting flux concept to the high-latitude ionosphere. This concept was more attractive as it evaluated the influence of neutral winds on the high-latitude electrodynamics without actually having to determine the generator characteristics of the magnetosphere. The influence of the neutral wind was then determined not by estimating how much electric potential or current density it provides, but by determining the contribution of the neutral wind to the net electromagnetic energy transferred between the ionosphere and magnetosphere. The estimate of the net electromagnetic energy transfer and the role of the neutral winds proves to be a more fundamental quantity in studies of magnetosphere- ionosphere coupling also showed that by using electric and magnetic field measurements from the HILAT satellite, the Poynting flux could be a measurable quantity from polar-orbiting, low- altitude spacecraft. Through collaboration with Dr. Heelis and others at UTD and their expertise of the electric field measurements on the DE-B satellite, an extensive analysis was planned to determine the Poynting flux from the DE-B measurements in combination with a modeling effort to help interpret the observations taking into account the coupled magnetosphere-ionosphere.

Thayer, Jeffrey P.↗
NASA NTRS1993

Control/structure interaction during Space Station Freedom-Orbiter berthing

The berthing maneuver is essential for the construction and assembly of Space Station Freedom (SSF) and has a direct effect on the SSF assembly build up and SSF/Orbiter operations. The effects of flexible body dynamics coupled with the available control system may impose new requirements on the maneuver. The problem is further complicated by the effect of the SSF control system on the Shuttle Remote Manipulator System (SRMS). These effects will play a major role in the development of operational requirements which need to be identified and validated in order to assure total safety and maneuver execution during SSF construction. This paper presents the results of ongoing studies to investigate the Control/Structure Interaction (CSI) during the berthing operations. The problem is formulated in terms of multi-flex body equations of motion for SSF and the SRMS and on-orbit flight control systems for the SRMS and the SSF, which includes the Control Moment Gyro (CMG) and Reaction Control System (RCS) Attitude Control Systems (ACS). The SSF control system designs are based on the Preliminary Design Review (PDR) version of the Honeywell design. The simulation tool used for the analysis is briefly described and the CSI results are presented for given berthing scenarios.

Hua, Tuyen↗
NASA NTRS1986

A high frequency analysis of electromagnetic plane wave scattering by perfectly-conducting semi-infinite parallel plate and rectangular waveguides with absorber coated inner walls

An approximate but sufficiently accurate high frequency solution which combines the uniform geometrical theory of diffraction (UTD) and the aperture integration (AI) method is developed for analyzing the problem of electromagnetic (EM) plane wave scattering by an open-ended, perfectly-conducting, semi-infinite hollow rectangular waveguide (or duct) with a thin, uniform layer of lossy or absorbing material on its inner wall, and with a planar termination inside. In addition, a high frequency solution for the EM scattering by a two dimensional (2-D), semi-infinite parallel plate waveguide with a absorber coating on the inner walls is also developed as a first step before analyzing the open-ended semi-infinite three dimensional (3-D) rectangular waveguide geometry. The total field scattered by the semi-infinite waveguide consists firstly of the fields scattered from the edges of the aperture at the open-end, and secondly of the fields which are coupled into the waveguide from the open-end and then reflected back from the interior termination to radiate out of the open-end. The first contribution to the scattered field can be found directly via the UTD ray method. The second contribution is found via the AI method which employs rays to describe the fields in the aperture that arrive there after reflecting from the interior termination. It is assumed that the direction of the incident plane wave and the direction of observation lie well inside the forward half space tht exists outside the half space containing the semi-infinite waveguide geometry. Also, the medium exterior to the waveguide is assumed to be free space.

Noh, H. M.↗
DOE OSTI2023

Meshing, Language Server Protocol, and other User-Oriented MOOSE Framework Improvements to Enhance Reactor Analysis Capabilities and Workflows

The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) framework underpins most of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) physics applications and coupling methods. Users interact with MOOSE in multiple ways to enable the construction of complex multiphysics models, including but not limited to compilation, input creation and syntax validation, meshing, solving the physics problem via MOOSE-based solvers and coupling, and output inspection. In FY23, numerous enhancements have been made to MOOSE to enhance the user experience. Reactor-oriented meshing capabilities in MOOSE have been expanded, an online tutorial was created and hosted on the MOOSE site, and a hands-on workshop was held for more than 100 users. The Language Server Protocol (LSP) capability has been implemented in MOOSE to better communicate correct syntax to the NEAMS Workbench user interface which is commonly used to validate input and submit jobs by users. Finally, several other user-facing improvements were made including the implementation of improved screen output and logging control, enhancements to the initial condition system, and enhancements of the MultiApp system commonly used for coupling. Collectively, these enhancements were driven by user needs and directly improve user ability to construct complex multiphysics models for nuclear reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2014

Mars Sample Return Using Commercial Capabilities: Propulsive Entry, Descent, and Landing of a Capsule Form Vehicle

This paper describes a critical portion of the work that has been done at NASA, Ames Research Center regarding the use of the commercially developed Dragon capsule as a delivery vehicle for the elements of a high priority Mars Sample Return mission. The objective of the investigation was to determine entry and landed mass capabilities that cover anticipated mission conditions. The "Red Dragon", Mars configuration, uses supersonic retro-propulsion, with no required parachute system, to perform Entry, Descent, and Landing (EDL) maneuvers. The propulsive system proposed for use is the same system that will perform an abort, if necessary, for a human rated version of the Dragon capsule. Standard trajectory analysis tools are applied to publically available information about Dragon and other legacy capsule forms in order to perform the investigation. Trajectory simulation parameters include entry velocity, flight path angle, lift to drag Ratio (L/D), landing site elevation, atmosphere density, and total entry mass, in addition engineering assumptions for the performance of the propulsion system are stated. Mass estimates for major elements of the overall proposed architecture are coupled to this EDL analysis to close the overall architecture. Three synodic launch opportunities, beginning with the 2022 opportunity, define the arrival conditions. Results state the relations between the analysis parameters as well as sensitivities to those parameters. The EDL performance envelope includes landing altitudes between 0 and -4 km referenced to the Mars Orbiter Laser Altimeter datum as well as minimum and maximum atmosphere density. Total entry masses between 7 and 10 mt are considered with architecture closure occurring between 9.0 and 10 mt. Propellant mass fractions for each major phase of the EDL - Entry, Terminal Descent, and Hazard Avoidance - have been derived. An assessment of the effect of the entry conditions on the Thermal Protection System (TPS) currently in use for Dragon missions shows no significant stressors. A useful payload mass of 2.0 mt is provided and includes mass and grow allowance for a Mars Ascent Vehicle (MAV), Earth Return Vehicle (ERV), and mission unique equipment. The useful payload supports an architecture that receives a sample from another surface asset and sends it directly back to Earth for recovery in a high Earth orbit. The work shows that emerging commercial capabilities as well as previously studied EDL methodologies can be used to efficiently support an important planetary science objective. The work also has applications for human exploration missions that will also use propulsive EDL techniques

EDL↗
NASA NTRS2016

Parametric Modeling Investigation of a Radially-Staged Low-Emission Aviation Combustor

Aviation gas-turbine combustion demands high efficiency, wide operability and minimal trace gas emissions. Performance critical design parameters include injector geometry, combustor layout, fuel-air mixing and engine cycle conditions. The present investigation explores these factors and their impact on a radially staged low-emission aviation combustor sized for a next-generation 24,000-lbf-thrust engine. By coupling multi-fidelity computational tools, a design exploration was performed using a parameterized annular combustor sector at projected 100% takeoff power conditions. Design objectives included nitrogen oxide emission indices and overall combustor pressure loss. From the design space, an optimal configuration was selected and simulated at 7.1, 30 and 85% part-power operation, corresponding to landing-takeoff cycle idle, approach and climb segments. All results were obtained by solution of the steady-state Reynolds-averaged Navier-Stokes equations. Species concentrations were solved directly using a reduced 19-step reaction mechanism for Jet-A. Turbulence closure was obtained using a nonlinear K-epsilon model. This research demonstrates revolutionary combustor design exploration enabled by multi-fidelity physics-based simulation.

design analysis↗
DOE OSTI2024

Controlling topology through targeted composite symmetry manipulation in magnetic systems

The possibility of selecting magnetic space groups by orienting the magnetization direction or tuning magnetic orders offers a vast playground for engineering symmetry-protected topological phases in magnetic materials. In this work, we study how selective tuning of symmetry and magnetism can influence and control the resulting topology in a two-dimensional magnetic system, and we illustrate such a procedure in the ferromagnetic monolayer MnPSe 3 . Density functional theory calculations reveal a symmetry-protected accidental semimetallic (SM) phase for out-of-plane magnetization, which becomes an insulator when the magnetization is tilted in-plane, reaching band-gap values close to 100 meV. We identify an order-2 composite antiunitary symmetry and threefold rotational symmetry that induce the band crossing, and we classify the possible topological phases using symmetry analysis, which we support with tight-binding and k · p models. Breaking of inversion symmetry opens a gap in the SM phase, giving rise to a Chern insulator. We demonstrate this explicitly in the isostructural Janus compound Mn 2 ⁢P 2 ⁢S 3 ⁢Se 3 , which naturally exhibits Rashba spin-orbit coupling that breaks inversion symmetry. Our results map out the phase space of topological properties of ferromagnetic transition-metal phosphorus trichalcogenides, and they demonstrate the potential of the magnetization-dependent metal-to-insulator transition as a spin switch in integrated two-dimensional electronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Localized Evaluation for Constructing Discrete Vector Fields

Topological abstractions offer a method to summarize the behavior of vector fields, but computing them robustly can be challenging due to numerical precision issues. One alternative is to represent the vector field using a discrete approach, which constructs a collection of pairs of simplices in the input mesh that satisfies criteria introduced by Forman's discrete Morse theory. While numerous approaches exist to compute pairs in the restricted case of the gradient of a scalar field, state-of-the-art algorithms for the general case of vector fields require expensive optimization procedures. This paper introduces a fast, novel approach for pairing simplices of two-dimensional, triangulated vector fields that do not vary in time. The key insight of our approach is that we can employ a local evaluation, inspired by the approach used to construct a discrete gradient field, where every simplex in a mesh is considered by no more than one of its vertices. Specifically, we observe that for any edge in the input mesh, we can uniquely assign an outward direction of flow. We can further expand this consistent notion of outward flow at each vertex, which corresponds to the concept of a downhill flow in the case of scalar fields. Working with outward flow enables a linear-time algorithm that processes the (outward) neighborhoods of each vertex one-by-one, similar to the approach used for scalar fields. Here, we couple our approach to constructing discrete vector fields with a method to extract, simplify, and visualize topological features. Empirical results on analytic and simulation data demonstrate drastic improvements in running time, produce features similar to the current state-of-the-art, and show the application of simplification to large, complex flows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Advancements Toward ASME Nuclear Code Case for Compact Heat Exchangers

Our research team proposes to advance the state of the ASME section III code (nuclear service) for Compact Heat Exchangers (CHX). This work will improve the technical state of CHXs and lay the foundation necessary for these heat exchangers to be certified for use in nuclear service. During the course of this work, we will advance the understanding of the performance, integrity, and lifetime of the CHXs for use in any industrial application, making their use more attractive and accessible to the industry. We will do this by developing qualification and inspection procedures that utilize Non-destructive evaluation (NDE) and advanced in-service inspection techniques, with insight from the industrial utility leader EPRI. We have enlisted colleagues at MPR Associates (MPR), an elite nuclear code consulting firm, who are experts on the ASME section III code and who, with input from members of the ASME section III committee, will direct the testing and help develop a series of documents that define the rules and regulations for use of the CHX. Colleagues at North Carolina State University (NCSU) and Oregon State University (OSU) will conduct extensive tensile, creep, and fatigue experiments on diffusion bonded samples (manufactured by US-based Vacuum Process engineering) along with modeling using the elastic perfectly plastic assumptions and comprehensive full inelastic finite element analysis (FEA). This work will allow analysis by design and confidence in the strength of different internal structures. To ensure industry acceptance and long term confidence, team members at the University of Wisconsin–Madison (UW), University of Michigan (UM), Georgia Tech (GT), and the University of Idaho (UI) will extensively test prototypic heat exchangers manufactured by US-based manufactures CompRex and Vacuum Process Engineering (VPE), a leader in the development of advanced CHX. This testing will include the use of various working fluids (salt, sodium, helium, and sCO2) to evaluate operational issues as well as structural integrity under the most severe conditions. Post-test analysis of the tested CHXs coupled with pre/in-service/post NDE (ultrasonic and radiography) led by the Electric Power Research Institute (EPRI) will be incorporated into the development of the rules and regulations for their use in nuclear service.

42 ENGINEERING↗
NASA NTRS1960

Satellite Attitude Control Using a Combination of Inertia Wheels and a Bar Magnet

The use of inertia wheels to control the attitude of a satellite has currently aroused much interest. The stability of such a system has been studied in this investigation. A single-degree-of-freedom analysis indicates that a response with suitable dynamic characteristics and precise control can be achieved by commanding the angular velocity of the inertia wheel with an error signal that is the sum of the attitude error, the attitude rate, and the integral of the attitude error. A digital computer was used to study the three-degree-of-freedom response to step displacements, and the results indicate that the cross-coupling effects of inertia coupling and precession coupling had no effect on system stability. A study was also made of the use of a bar magnet to supplement the inertia wheels by providing a means of removing any momentum introduced into the system by disturbances such as aerodynamic torques. A study of a case with large aerodynamic torques, with a typical orbit, indicated that the magnet was a suitable device for supplying the essential trimming force. Single-degree-of-freedom bench tests generally verified the dynamic response predicted by the analytical study. the test table to within plus or minus 9 arc-seconds of the reference direction, even though the hardware components that were used in these tests were not specifically designed for the control system.

Adams, James J.↗
DOE OSTI2025

Reweighting configurations generated by transferable, machine learned models for protein sidechain backmapping

Multiscale modeling requires the linking of models at different levels of detail, with the goal of gaining accelerations from lower fidelity models while recovering fine details from higher resolution models. Communication across resolutions is particularly important in modeling soft matter, where tight couplings exist between molecular-level details and mesoscale structures. While multiscale modeling of biomolecules has become a critical component in exploring their structure and self-assembly, backmapping from coarse-grained to fine-grained, or atomistic, representations presents a challenge, despite recent advances through machine learning. A major hurdle, especially for strategies utilizing machine learning, is that backmappings can only approximately recover the atomistic ensemble of interest. We demonstrate conditions for which backmapped configurations may be reweighted to exactly recover the desired atomistic ensemble. By training separate decoding models for each sidechain type, we develop an algorithm based on normalizing flows and geometric algebra attention to autoregressively propose backmapped configurations for any protein sequence. Critical for reweighting with modern protein force fields, our trained models include all hydrogen atoms in the backmapping and make probabilities associated with atomistic configurations directly accessible. We also demonstrate, however, that reweighting is extremely challenging despite state-of-the-art performance on recently developed metrics and generation of configurations with low energies in atomistic protein force fields. Through detailed analysis of configurational weights, we show that machine-learned backmappings must not only generate configurations with reasonable energies, but also correctly assign relative probabilities under the generative model. These are broadly important considerations in generative modeling of atomistic molecular configurations.

Monroe, Jacob I. [Univ. of Arkansas, Fayetteville,↗
DOE OSTI2022

Development of a three-dimensional APOLLO3 neutrons deterministic scheme for the CABRI reactor

CABRI is an experimental reactor to study the fuel behavior during reactivity injection transients. These transients being highly multiphysics, the development of suitable modeling and simulation tools to simulate them is important for the optimization of the tests and the control of the experimental conditions. This paper focuses on the development of an APOLLO3 deterministic core calculation tool dedicated to the CABRI transient analysis. It represents the first stage of the incremental process for the implementation of a multiphysics time-dependent modeling of the CABRI transient. The neutron calculation scheme is based on a classical two-step approach. The first step consists of a 281-energy group calculation flux with the TDT-MOC (Method Of Characteristics) solver for cross-section space and energy (23 groups) collapsing for the CABRI different assembly clusters. The bias on a 2D core neutron calculation due to the self-shielding calculation and collapsing on a restricted pattern are investigated thanks to a comparison with a direct full 2D calculation on a quarter of core. The second step relies on a pin-resolved transport 3D transport core calculation with the SN solver MINARET. A progressive numerical validation process is followed to quantify the calculation biases on reactivity and reaction rates at each step using reference calculations with the stochastic code TRIPOLI4. The next development stage toward a multiphysics scheme will be the implementation of the 3D-kinetics equation resolution and the coupling with a core thermal-hydraulics model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1993

Particle kinetic simulation of high altitude hypervelocity flight

In this grant period, the focus has been on enhancement and application of the direct simulation Monte Carlo (DSMC) particle method for computing hypersonic flows of re-entry vehicles. Enhancement efforts dealt with modeling gas-gas interactions for thermal non-equilibrium relaxation processes and gas-surface interactions for prediction of vehicle surface temperatures. Both are important for application to problems of engineering interest. The code was employed in a parametric study to improve future applications, and in simulations of aeropass maneuvers in support of the Magellan mission. Detailed comparisons between continuum models for internal energy relaxation and DSMC models reveals that several discrepancies exist. These include definitions of relaxation parameters and the methodologies for implementing them in DSMC codes. These issues were clarified and all differences were rectified in a paper (Appendix A) submitted to Physics of Fluids A, featuring several key figures in the DSMC community as co-authors and B. Haas as first author. This material will be presented at the Fluid Dynamics meeting of the American Physical Society on November 21, 1993. The aerodynamics of space vehicles in highly rarefied flows are very sensitive to the vehicle surface temperatures. Rather than require prescribed temperature estimates for spacecraft as is typically done in DSMC methods, a new technique was developed which couples the dynamic surface heat transfer characteristics into the DSMC flow simulation code to compute surface temperatures directly. This model, when applied to thin planar bodies such as solar panels, was described in AIAA Paper No. 93-2765 (Appendix B) and was presented at the Thermophysics Conference in July 1993. The paper has been submitted to the Journal of Thermophysics and Heat Transfer. Application of the DSMC method to problems of practical interest requires a trade off between solution accuracy and computational expense and limitations. A parametric study was performed and reported in AIAA Paper No. 93-2806 (Appendix C) which assessed the accuracy penalties associated with simulations of varying grid resolution and flow domain size. The paper was also presented at the Thermophysics Conference and will be submitted to the journal shortly. Finally, the DSMC code was employed to assess the pitch, yaw, and roll aerodynamics of the Magellan spacecraft during entry into the Venus atmosphere at off-design attitudes. This work was in support of the Magellan aerobraking maneuver of May 25-Aug. 3, 1993. Furthermore, analysis of the roll characteristics of the configuration with canted solar panels was performed in support of the proposed 'Windmill' experiment. Results were reported in AIAA Paper No. 93-3676 (Appendix D) presented at the Atmospheric Flight Mechanics Conference in August 1993, and were submitted to Journal of Spacecraft and Rockets.

Haas, Brian L.↗
NASA NTRS1998

WARP3D-Release 10.8: Dynamic Nonlinear Analysis of Solids using a Preconditioned Conjugate Gradient Software Architecture

This report describes theoretical background material and commands necessary to use the WARP3D finite element code. WARP3D is under continuing development as a research code for the solution of very large-scale, 3-D solid models subjected to static and dynamic loads. Specific features in the code oriented toward the investigation of ductile fracture in metals include a robust finite strain formulation, a general J-integral computation facility (with inertia, face loading), an element extinction facility to model crack growth, nonlinear material models including viscoplastic effects, and the Gurson-Tver-gaard dilatant plasticity model for void growth. The nonlinear, dynamic equilibrium equations are solved using an incremental-iterative, implicit formulation with full Newton iterations to eliminate residual nodal forces. The history integration of the nonlinear equations of motion is accomplished with Newmarks Beta method. A central feature of WARP3D involves the use of a linear-preconditioned conjugate gradient (LPCG) solver implemented in an element-by-element format to replace a conventional direct linear equation solver. This software architecture dramatically reduces both the memory requirements and CPU time for very large, nonlinear solid models since formation of the assembled (dynamic) stiffness matrix is avoided. Analyses thus exhibit the numerical stability for large time (load) steps provided by the implicit formulation coupled with the low memory requirements characteristic of an explicit code. In addition to the much lower memory requirements of the LPCG solver, the CPU time required for solution of the linear equations during each Newton iteration is generally one-half or less of the CPU time required for a traditional direct solver. All other computational aspects of the code (element stiffnesses, element strains, stress updating, element internal forces) are implemented in the element-by- element, blocked architecture. This greatly improves vectorization of the code on uni-processor hardware and enables straightforward parallel-vector processing of element blocks on multi-processor hardware.

Koppenhoefer, Kyle C.↗