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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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At least 235 records · Page 13

Constraining the Structure of the Transition Disk HD 135344B (SAO 206462) by Simultaneous Modeling of Multiwavelength Gas and Dust Observations

Context: Constraining the gas and dust disk structure of transition disks, particularly in the inner dust cavity, is a crucial step toward understanding the link between them and planet formation. HD 135344B is an accreting (pre-)transition disk that displays the CO 4.7 micrometer emission extending tens of AU inside its 30 AU dust cavity. Aims: We constrain HD 135344B's disk structure from multi-instrument gas and dust observations. Methods: We used the dust radiative transfer code MCFOST and the thermochemical code ProDiMo to derive the disk structure from the simultaneous modeling of the spectral energy distribution (SED), VLT/CRIRES CO P(10) 4.75 Micrometers, Herschel/PACS [O(sub I)] 63 Micrometers, Spitzer/IRS, and JCMT CO-12 J = 3−2 spectra, VLTI/PIONIER H-band visibilities, and constraints from (sub-)mm continuum interferometry and near-IR imaging. Results: We found a disk model able to describe the current gas and dust observations simultaneously. This disk has the following structure. (1) To simultaneously reproduce the SED, the near-IR interferometry data, and the CO ro-vibrational emission, refractory grains (we suggest carbon) are present inside the silicate sublimation radius (0.08 is less than R less than 0.2 AU). (2) The dust cavity (R is less than 30 AU) is filled with gas, the surface density of the gas inside the cavity must increase with radius to fit the CO ro-vibrational line profile, a small gap of a few AU in the gas distribution is compatible with current data, and a large gap of tens of AU in the gas does not appear likely. (4) The gas-to-dust ratio inside the cavity is >100 to account for the 870 Micrometers continuum upper limit and the CO P(10) line flux. (5) The gas-to-dust ratio in the outer disk (30 is less than R less than 200 AU) is less than 10 to simultaneously describe the [O(sub I)] 63 Micrometers line flux and the CO P(10) line profile. (6) In the outer disk, most of the gas and dust mass should be located in the midplane, and a significant fraction of the dust should be in large grains. Conclusions: Simultaneous modeling of the gas and dust is required to break the model degeneracies and constrain the disk structure. An increasing gas surface density with radius in the inner cavity echoes the effect of a migrating Jovian planet in the disk structure. The low gas mass (a few Jupiter masses) throughout the HD 135344B disk supports the idea that it is an evolved disk that has already lost a large portion of its mass.

inner dust cavity↗

The 13th Technology of Deep Space One

On October 24th, 1998, the Deep Space One (DS-1) spacecraft launched aboard a Delta II rocket as the first step towards the bold task of testing and validating 12 new technologies for future missions. This launch also represented yet another thrilling event; namely, the successful test and validation of a 13th heretofore undisclosed technology: model-base-code-generation of the spacecraft's system-level fault-protection (FP) software from behavioral state diagrams and structural models.

model-based-code-generation↗

Probable solar flare doses encountered on an interplanetary mission as calculated by the MCFLARE code

The computer program, MCFLARE, uses Monte Carlo methods to simulate solar flare occurrences during an interplanetary space voyage. The total biological dose inside a shielded crew compartment due to the flares encountered during the voyage is determined. The computer program evaluates the doses obtained on a large number of trips having identical trajectories. From these results, a dose D sub p having a probability p of not being exceeded during the voyage can be determined as a function of p for any shield material configuration. To illustrate the use of the code, a trip to Mars and return is calculated, and estimated doses behind several thicknesses of aluminum shield and water shield are presented.

Lahti, G. P.↗

Data for "Which plant traits increase soil carbon sequestration? Empirical evidence from a long-term poplar genetic diversity trial"

This archive contains all data and code used by the following publication: Field, J. L., Sloan, B. P., Craig, M. E., Calloway, P., Ottinger, S. L., Mead, T., Abramoff, R. Z., Venegas, M. P., Chhetri, H. B., Haiby, K., Kalluri, U. C., Muchero, W., Schadt, C. W., & Mayes, M. A. (2025). Which plant traits increase soil carbon sequestration? Empirical evidence from a long-term poplar genetic diversity trial (p. 2025.02.17.638464). bioRxiv. https://doi.org/10.1101/2025.02.17.638464 Our analysis combined several soil and root data sets collected by Oak Ridge National Laboratory (ORNL) researchers/collaborators from the Clatskanie Poplar Common Garden in Clatskanie, OR by from 2009-2024. The raw data data files are located */02-data/01-raw/* which we harmonized using the codes in */01-codes/01-harmonize-clatskanie-data-pub.qmd*. The final processed data set used in the paper is found at */02-data/02-processed/clatskanie-c-fit-data.csv* and its columns are described in the table below.

Sloan, Brandon [ORNL] (ORCID:0000000316304271)↗

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗

Toward a Machine Learning Approach to Interpreting X-ray Spectra of Trace Impurities by Converting XANES to EXAFS

The fact that the photoabsorption spectrum of a material contains information about the atomic structure, commonly understood in terms of multiple scattering theory, is the basis of the popular extended X-ray absorption spectroscopy (EXAFS) technique. How much of the same structural information is present in other complementary spectroscopic signals is not obvious. Here we use a machine learning approach to demonstrate that within theoretical models that accurately predict the EXAFS signal, the extended near-edge region does indeed contain the EXAFS-accessible structural information. We do this by exhibiting deep operator neural networks (DeepONets) that have learned the relationship between the extended and near edge portions of the X-ray absorption spectrum to predict the former from the latter. We find that we can accurately predict the EXAFS spectrum between 6 and 14 Å –1 from the first 6 Å –1 (≈100 eV) of the absorption spectrum of Cu 2 + substitutional defects in the Fe 3+ mineral hematite (α-Fe 2 O 3 ). This surprising finding implies that theoretical analyses of X-ray absorption spectra could be implemented that extract the same conclusions as high-quality EXAFS studies from spectra collected over a much smaller range of photon energies. This relaxes a host of experimental limitations related to the X-ray source and measurement sample, including collection time, minimum dopant concentration, source brilliance, and energy range. We describe the theoretical data sets and DeepONet construction and show that the resulting DeepONets produce EXAFS that recovers linear combination fits to experimental data with accuracy approaching the original ab initio calculations. We discuss the implications of our findings for minor constituent characterization and for understanding the information content of spectroscopic data more broadly, including how this approach might be applied to measured experimental spectra. In conclusion, to encourage similar efforts, the simulated X-ray spectra, machine learning, and fitting code are publicly available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stochasticity in the Switching of Nanodisks for Probabilistic Computing

Stochasticity in magnetic nanodevices is an essential characteristic for harnessing these devices to computing based on population coding or the building blocks of probabilistic computing, p-bits. A magnetic tunneling junction (MTJ) consisting of a patterned magnetic element is considered a promising computing unit in the concept of artificial neurons and p-bits. A comprehensive understanding of the stochasticity in the switching of patterned magnetic elements is crucial for realizing MTJ-based probabilistic computing technology. In the present work, the stochastic behavior in the switching process of a perpendicularly magnetized Co/Pt disk within an array was directly observed utilizing full-field soft X-ray microscopy. Within 50 repeated hysteretic cycles, the stochastic magnetization switching of individual Co/Pt disks within disk arrays is identified. We found that the stochasticity in the magnetization switching of disks considerably depends on the disk size. The stochasticity initially decreases as the disk radius gets bigger from 125 to 375 nm (region I), then increases with further enlarging the disk size to 625 nm (region II). The variance of thermal fluctuation relevant to the disk size and the multilevel switching within a disk are severely involved in the observed size-dependent stochasticity. Furthermore, this work provides the way for controlling the stochasticity in the switching of nanopatterned elements, which is a key aspect of MTJ-based probabilistic computing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical demonstration of Biermann-generated magnetic fields in a laser-driven cylindrical implosion platform

We present two-dimensional radiation-magnetohydrodynamics FLASH simulations studying Biermann battery generated magnetic fields in a convergent geometry based on modifying an existing laser direct drive cylindrical implosion platform at Los Alamos National Laboratory. During the laser driven implosion, instabilities can arise as the target converges, and in a plasma, such instabilities can generate magnetic fields via the Biermann battery. After significant redesign (lowering the inner foam fill density, deceasing the ablator mass, and modifying the laser pulse), we demonstrate that magnetic fields reach strengths of many hundred kilogauss and persist over a nanosecond time scale. Such results pave the way for an experimental campaign for further code verification and validation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Code-Agnostic Driver Application for Coupled Neutronics and Thermal-Hydraulic Simulations

While the literature has numerous examples of Monte Carlo and computational fluid dynamics (CFD) coupling, most are hard-wired codes intended primarily for research rather than as standalone, general-purpose applications. In this work, we describe an open source application, ENRICO, that enables coupled neutronic and thermal-hydraulic simulations between multiple codes that can be chosen at runtime (as opposed to a coupling between two specific codes). The application has been designed such that the control flow logic, domain mapping, nonlinear fixed-point iteration, solution transfers, and convergence checks are all agnostic to the underlying physics solvers used. Special emphasis has also been placed on enabling efficient execution on distributed-memory computing environments. The transfer of solution fields between solvers is performed in memory rather than through filesystem I/O. Additionally, solvers can be configured to run on overlapping or disjoint sets of processes. To date, coupling with the OpenMC and Shift Monte Carlo codes, the Nek5000 CFD code, and a simplified heat diffusion and subchannel solver has been implemented in ENRICO. We present results for coupled simulations of a single light-water reactor fuel assembly based on the NuScale reactor using various combinations of the physics solvers. For this problem, the coupled simulations are shown to converge in about four Picard iterations. A comparison of the heat source and temperature distributions computed by ENRICO using OpenMC coupled with Nek5000 and Shift coupled with Nek5000 illustrates remarkable agreement between the codes.

42 ENGINEERING↗

ITS Version 6.7: The Integrated TIGER Series of Coupled Electron/Photon Monte Carlo Transport Codes User's Manual

ITS is a powerful software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the make system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 95. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Inputs, Outputs and Plotting Scripts for paper Extending near-axis equilibria in DESC

Python scripts and outputs from the DESC and pyQSC/pyQIC codes used to create the results in the paper "Extending near-axis equilibria in DESC". The contained README file has the details of which scripts create which figures, as well as on what versions of the codes were used. The repo also contains python pickle (.p) files and .txt files with the data used to create each figure (which are used by the plotting scripts).

DESC↗

A survey of compiler optimization techniques

Major optimization techniques of compilers are described and grouped into three categories: machine dependent, architecture dependent, and architecture independent. Machine-dependent optimizations tend to be local and are performed upon short spans of generated code by using particular properties of an instruction set to reduce the time or space required by a program. Architecture-dependent optimizations are global and are performed while generating code. These optimizations consider the structure of a computer, but not its detailed instruction set. Architecture independent optimizations are also global but are based on analysis of the program flow graph and the dependencies among statements of source program. A conceptual review of a universal optimizer that performs architecture-independent optimizations at source-code level is also presented.

Schneck, P. B.↗

Remote-sensing applications in the State of Mississippi

A computer derived land use classification scheme for infrared LANDSAT imagery was developed and applied to update existing Mississippi coastline data. Inventory classifications were accomplished by photographic enlargement and photointerpretations showing color coded resources on the ground.

Bankston, P. T.↗

Combustion: Structural interaction in a viscoelastic material

The effect of interaction between combustion processes and structural deformation of solid propellant was considered. The combustion analysis was performed on the basis of deformed crack geometry, which was determined from the structural analysis. On the other hand, input data for the structural analysis, such as pressure distribution along the crack boundary and ablation velocity of the crack, were determined from the combustion analysis. The interaction analysis was conducted by combining two computer codes, a combustion analysis code and a general purpose finite element structural analysis code.

Chang, T. Y.↗

Another self-similar blast wave: Early time asymptote with shock heated electrons and high thermal conductivity

Accurate approximations are presented for the self-similar structures of nonradiating blast waves with adiabatic ions, isothermal electrons, and equation ion and electron temperatures at the shock. The cases considered evolve in cavities with power law ambient densities (including the uniform density case) and have negligible external pressure. The results provide the early time asymptote for systems with shock heating of electrons and strong thermal conduction. In addition, they provide analytical results against which two fluid numerical hydrodynamic codes can be checked.

Cox, D. P.↗

New short constraint length, rate 1/N convolutional codes which minimize the required SNR for given desired bit error rates

It is pointed out that for a convolutional coding system, the Bit Error Rate (BER) at the Viterbi decoder output is upper-bounded by the transfer function bound. A large number of rate 1/N convolutional codes have been reported. The criteria used for determining the quality of a code in code search procedures, however, may not be very suited for cases in which the required BER is in the moderate range. For this reason, it may be best to select the code with the aim to minimize the required SNR for a given disired BER. Partial code searching techniques are presented, and a table listing the code search results is provided.

Lee, P. J.↗