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All sources NASA NTRS DOE OSTI

DOE OSTI2019

Interpretation of proton radiography experiments of hohlraums with three-dimensional simulations

Proton radiography experiments of laser-irradiated hohlraums performed at the OMEGA laser facility are analyzed using three-dimensional (3D) hydrodynamic simulations coupled to a proton trajectography package. Experiments with three different laser irradiation patterns were performed, and each produced a distinct proton image. By comparing these results with synthetic proton images obtained by sending protons through plasma profiles in the hohlraum obtained from 3D radiation hydrodynamic simulations, it is found that the simulated images agree favorably with the experimental images when electric fields, due to the electron pressure gradients that arise from 3D structures occurring during plasma expansion, are included. These comparisons provide quantitative estimates of the electric field present inside the hohlraums

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1999

Adaptive Mesh Refinement for Microelectronic Device Design

Finite element and finite volume methods are used in a variety of design simulations when it is necessary to compute fields throughout regions that contain varying materials or geometry. Convergence of the simulation can be assessed by uniformly increasing the mesh density until an observable quantity stabilizes. Depending on the electrical size of the problem, uniform refinement of the mesh may be computationally infeasible due to memory limitations. Similarly, depending on the geometric complexity of the object being modeled, uniform refinement can be inefficient since regions that do not need refinement add to the computational expense. In either case, convergence to the correct (measured) solution is not guaranteed. Adaptive mesh refinement methods attempt to selectively refine the region of the mesh that is estimated to contain proportionally higher solution errors. The refinement may be obtained by decreasing the element size (h-refinement), by increasing the order of the element (p-refinement) or by a combination of the two (h-p refinement). A successful adaptive strategy refines the mesh to produce an accurate solution measured against the correct fields without undue computational expense. This is accomplished by the use of a) reliable a posteriori error estimates, b) hierarchal elements, and c) automatic adaptive mesh generation. Adaptive methods are also useful when problems with multi-scale field variations are encountered. These occur in active electronic devices that have thin doped layers and also when mixed physics is used in the calculation. The mesh needs to be fine at and near the thin layer to capture rapid field or charge variations, but can coarsen away from these layers where field variations smoothen and charge densities are uniform. This poster will present an adaptive mesh refinement package that runs on parallel computers and is applied to specific microelectronic device simulations. Passive sensors that operate in the infrared portion of the spectrum as well as active device simulations that model charge transport and Maxwell's equations will be presented.

Cwik, Tom↗

NASA NTRS2010

System on a Chip (SoC) Overview

System-on-a-chip or system on chip (SoC or SOC) refers to integrating all components of a computer or other electronic system into a single integrated circuit (chip). It may contain digital, analog, mixed-signal, and often radio-frequency functions all on a single chip substrate. Complexity drives it all: Radiation tolerance and testability are challenges for fault isolation, propagation, and validation. Bigger single silicon die than flown before and technology is scaling below 90nm (new qual methods). Packages have changed and are bigger and more difficult to inspect, test, and understand. Add in embedded passives. Material interfaces are more complex (underfills, processing). New rules for board layouts. Mechanical and thermal designs, etc.

LaBel, Kenneth A.↗

DOE OSTI2026

A Graphical User Interface for the Deep Underground Neutrino Experiment Robotic Test Stand

In preparation for DUNE, Fermilab along with six other institutions are testing cold electronics for quality control before components placed in the far detector. We test them by using a robotic arm that places these chips into sockets on a computer board that will test their functionality. Up until now, the chips have been tested using a command line script that drives a state machine to conduct tests step-by-step. In order to lower the skill barrier to conduct tests and to speed up the quality control process, I was tasked to create a graphical user interface that would allow users to use buttons, text boxes, and drop-down menus to input information and tell the testing state machine how to operate. I had to learn about the Python package Tkinter to start the process of widget placement. I further developed a pause feature unused in the previous command line script that would allow the user to shut down testing gracefully, bring the robotic arm to go back to ground state, and go forward or backward a step in the testing process. After completing the basic functionality of the GUI, I started testing production chips with the GUI to debug. Some issues were found, which required me to further develop parts of the inherited state machine code. The code for the GUI has now been pushed into the copy the DUNE/FD_CE git repository and will soon be merged with the official DUNE/FD_CE repository so that the other institutions testing DUNE cold electronics can use and expand upon it.

Gutierrez Villanueva, Jaziel [Fermilab]↗

DOE OSTI2025

Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo

Topological insulators are characterized by insulating bulk states and robust metallic surface states. Band inversion is a hallmark of topological insulators. At time-reversal invariant points in the Brillouin zone, spin–orbit coupling (SOC) induces a swapping of orbital character at the bulk band edges. Reliably detecting band inversion in solid-state systems with many-body methods would aid in identifying possible candidates for spintronics and quantum computing applications and improve our understanding of the physics behind topologically nontrivial systems. Density functional theory (DFT) methods are a well-established means of investigating these interesting materials due to their favorable balance of computational cost and accuracy but often struggle to accurately model the electron–electron correlations present in the many materials containing heavier elements. In this work, we develop a novel method to detect band inversion within continuum quantum Monte Carlo (QMC) methods that can accurately treat the electron correlation and spin–orbit coupling that are crucial to the physics of topological insulators. Our approach applies a momentum-space-resolved atomic population analysis throughout the first Brillouin zone utilizing the Löwdin method and the one-body reduced density matrix produced with diffusion Monte Carlo (DMC). We integrate this method into QMCPACK, an open source ab initio QMC package, so that these ground-state methods can be used to complement experimental studies and validate prior DFT work on predicting the band structures of correlated topological insulators. Here, we demonstrate this new technique on the topological insulator bismuth telluride, which displays band inversion between its Bi-p and Te-p states at the Γ-point. We show an increase in charge on the bismuth-p orbital and a decrease in charge on the tellurium-p orbital when comparing band structures with and without SOC. Additionally, we use our method to compare the degree of band inversion present in monolayer Bi 2 Te 3 , which has no interlayer van der Waals interactions, to that seen in the bilayer and bulk. The method presented here will enable future many-body studies of band inversion that can shed light on the delicate interplay between correlation and topology in correlated topological materials.

Band structure↗

NASA NTRS1996

Physical and Optical/Radiative Characteristics of Aerosol and Cloud Particles in Tropical Cirrus: Importance in Radiation Balance

Whether cirrus clouds heat or cool the Earth-atmosphere system depends on the relative importance of the cloud shortwave albedo effect and the cloud thermal greenhouse effect. Both are determined by the distribution of ice condensate with cloud particle size. The microphysics instrument package flown aboard the NASA DC-8 in TOGA/COARE included an ice crystal replicator, a 2D Greyscale Cloud Particle Probe and a Forward Scattering Spectrometer Aerosol Probe. In combination, the electro-optical instruments permitted particle size measurements between 0.5 micrometer and 2.6 millimeter diameter. Ice crystal replicas were used to validate signals from the electrooptical instruments. Both optical and scanning electron microscopy were utilized to analyze aerosol and ice particle replicas between 0.1 micrometer and several 100 micrometer diameter. In first approximation, the combined aerosol-cloud particle spectrum in several clouds followed a power law N alpha D(sup -2.5). Thus, large cloud particles carried most of the condensate mass, while small cloud and aerosol particles determined the surface area. The mechanism of formation of small particles is growth of (hygroscopic, possibly ocean-derived) aerosol particles along the Kohler curves. The concentration of small particles is higher and less variable in space and time, and their tropospheric residence time is longer, than those of large cloud particles because of lower sedimentation velocities. Small particles shift effective cloud particle radii to sizes much smaller than the mean diameter of the cloud particles. This causes an increase in shortwave reflectivity and IR emissivity, and a decrease in transmissivity. Occasionally, the cloud reflectivity increased with altitude (decreasing temperature) stronger than did cloud emissivity, yielding enhanced radiative cooling at higher altitudes. Thus, cirrus produced by deep convection in the tropics may be critical in controlling processes whereby energy from warm tropical oceans is injected to different levels in the atmosphere to subsequently influence not only tropical but mid-latitude climate.

Pueschel, R. F.↗

NASA NTRS1995

Laser Opto-Electronic Correlator for Robotic Vision Automated Pattern Recognition

A compact laser opto-electronic correlator for pattern recognition has been designed, fabricated, and tested. Specifically it is a translation sensitivity adjustable compact optical correlator (TSACOC) utilizing convergent laser beams for the holographic filter. Its properties and performance, including the location of the correlation peak and the effects of lateral and longitudinal displacements for both filters and input images, are systematically analyzed based on the nonparaxial approximation for the reference beam. The theoretical analyses have been verified in experiments. In applying the TSACOC to important practical problems including fingerprint identification, we have found that the tolerance of the system to the input lateral displacement can be conveniently increased by changing a geometric factor of the system. The system can be compactly packaged using the miniature laser diode sources and can be used in space by the National Aeronautics and Space Administration (NASA) and ground commercial applications which include robotic vision, and industrial inspection of automated quality control operations. The personnel of Standard International will work closely with the Jet Propulsion Laboratory (JPL) to transfer the technology to the commercial market. Prototype systems will be fabricated to test the market and perfect the product. Large production will follow after successful results are achieved.

Laser Opto-Electronic↗

DOE OSTI2024

Massively scalable workflows for quantum chemistry: BigChem and ChemCloud

Electronic structure theory, i.e., quantum chemistry, is the fundamental building block for many problems in computational chemistry. Here we present a new distributed computing framework (BigChem), which allows for an efficient solution of many quantum chemistry problems in parallel. BigChem is designed to be easily composable and leverages industry-standard middleware (e.g., Celery, RabbitMQ, and Redis) for distributed approaches to large scale problems. BigChem can harness any collection of worker nodes, including ones on cloud providers (such as AWS or Azure), local clusters, or supercomputer centers (and any mixture of these). BigChem builds upon MolSSI packages, such as QCEngine to standardize the operation of numerous computational chemistry programs, demonstrated here with Psi4, xtb, geomeTRIC, and TeraChem. BigChem delivers full utilization of compute resources at scale, offers a programable canvas for designing sophisticated quantum chemistry workflows, and is fault tolerant to node failures and network disruptions. We demonstrate linear scalability of BigChem running computational chemistry workloads on up to 125 GPUs. Finally, we present ChemCloud, a web API to BigChem and successor to TeraChem Cloud. ChemCloud delivers scalable and secure access to BigChem over the Internet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

An active nutation damper for spacecraft

An active nutation damping device, consisting of an angular accelerometer, a dc motor driven flywheel, and associated electronics, was developed for spacecraft use. This damping system was used on the Lageos spacecraft, launched 4 May 1976, to control nutation buildup during the long coast period after the third stage separation. Of many electrical and mechanical design choices, an angular rather than linear accelerometer offered some advantages but problems developed in adapting the angular accelerometer to spacecraft use. The damper package was evaluated and proven on a three axis gas-bearing simulator that duplicated the Lageos spacecraft critical flight dynamics. A failure analysis of the damper assembly was performed. Performance of the damper during the Lageos flight has confirmed the preflight evaluation and analysis.

Abercrombie, R. A.↗

NASA NTRS1993

Walsh function generator for the Electronically Scanned Thinned Array Radiometer (ESTAR) instrument

A prototype Walsh Function Generator (WFG) for the ESTAR (Electronically Scanned Thinned Array Radiometer) instrument has been designed and tested. Implemented in a single Xilinx XC3020PC68-50 Field Programmable Gate Array (FPGA), it generates a user-programmable set of 32 consecutive Walsh Functions for noise cancellation in the analog circuitry of the Front-End Modules (FEM's). It is implemented in a 68-pin plastic leaded chip carrier (PLCC) package, is fully testable, and can be used for noise cancellation periods as small as 2 msec.

Chren, William A., Jr.↗

NASA NTRS2015

Three-Dimensional Vibration Isolator for Suppressing High-Frequency Responses for Sage III Contamination Monitoring Package (CMP)

The Stratospheric Aerosol and Gas Experiment (SAGE) III - International Space Station (ISS) instrument will be used to study ozone, providing global, long-term measurements of key components of the Earth's atmosphere for the continued health of Earth and its inhabitants. SAGE III is launched into orbit in an inverted configuration on SpaceX;s Falcon 9 launch vehicle. As one of its four supporting elements, a Contamination Monitoring Package (CMP) mounted to the top panel of the Interface Adapter Module (IAM) box experiences high-frequency response due to structural coupling between the two structures during the SpaceX launch. These vibrations, which were initially observed in the IAM Engineering Development Unit (EDU) test and later verified through finite element analysis (FEA) for the SpaceX launch loads, may damage the internal electronic cards and the Thermoelectric Quartz Crystal Microbalance (TQCM) sensors mounted on the CMP. Three-dimensional (3D) vibration isolators were required to be inserted between the CMP and IAM interface in order to attenuate the high frequency vibrations without resulting in any major changes to the existing system. Wire rope isolators were proposed as the isolation system between the CMP and IAM due to the low impact to design. Most 3D isolation systems are designed for compression and roll, therefore little dynamic data was available for using wire rope isolators in an inverted or tension configuration. From the isolator FEA and test results, it is shown that by using the 3D wire rope isolators, the CMP high-frequency responses have been suppressed by several orders of magnitude over a wide excitation frequency range. Consequently, the TQCM sensor responses are well below their qualification environments. It is indicated that these high-frequency responses due to the typical instrument structural coupling can be significantly suppressed by a vibration passive control using the 3D vibration isolator. Thermal and contamination issues were also examined during the isolator selection period for meeting the SAGE III-ISS instrument requirements.

Li, Y.↗

NASA NTRS1980

A Recoverable Plasma Diagnostics Package (RPDP) for Spacelab

The RPDP is a fully instrumented, ejectable and recoverable unit with flight and ground support systems so that it can be utilized attached to the orbiter remote manipulator system, tethered from the orbiter, or as an orbiter subsatellite. Core instruments on the RPDP are flight proven hardware which provide diagnostics measurements of energetic particles, AC electromagnetic and electrostatic waves, vector magnetic field signatures of current systems, vector electric field signatures associated with plasma flow and particle acceleration, thermal plasma ion composition and density, thermal plasma electron density and temperature, and images of optical emissions regions in UV or visible wavelengths.

Shawhan, S. D.↗

DOE OSTI2019

Magneto-electronic and Thermodynamic Properties of Quaternary NiFeMnZ (Z = In, Sn) New Spin Gapless Semiconductors

This paper deals with investigation of magneto-electronic and thermodynamic properties of new spin gapless semiconductor quaternary NiFeMnZ (Z = In, Sn) Heusler alloys. In addition, electronic properties such as band structure and density of states were studied in detail. The obtained results are based on first-principles calculations, using the full potential linearized augmented plane wave (FP-LAPW) method within well-known generalized gradient approximation (GGA) coupling with spin-orbit calculation (SOC) in framework of the density functional theory (DFT) implemented in the WIEN2k package. As results, the alloys were found to be new spin gapless semiconductors (SGSs), and both compounds in LiMgPdSn-type crystal structure are stable. The magnetic moment of NiFeMnIn and NiFeMnSn was 4.39 and 4.99 μ{sub B} per formula unit, respectively. This result is in agreement with the Slater-Pauling rule (M{sub tot} = 24 −Z{sub tot}). Furthermore, the thermodynamic properties were also predicted. All these multifunctionalities lead to crucial interest for developing future spintronics device generations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Cosmic rays muon flux measurements at Belgrade shallow underground laboratory

The Belgrade underground laboratory is a shallow underground one, at 25 meters of water equivalent. It is dedicated to low-background spectroscopy and cosmic rays measurement. Its uniqueness is that it is composed of two parts, one above ground, the other bellow with identical sets of detectors and analyzing electronics thus creating opportunity to monitor simultaneously muon flux and ambient radiation. We investigate the possibility of utilizing measurements at the shallow depth for the study of muons, processes to which these muons are sensitive and processes induced by cosmic rays muons. For this purpose a series of simulations of muon generation and propagation is done, based on the CORSIKA air shower simulation package and GEANT4. Results show good agreement with other laboratories and cosmic rays stations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Xyce(™) Parallel Electronic Simulator

The Xyce Parallel Electronic Simulator simulates electronic circuit behavior in DC, AC, HB, MPDE and transient mode using standard analog (DAE) and/or device (PDE) device models including several age and radiation aware devices. It supports a variety of computing platforms (both serial and parallel) computers. Lastly, it uses a variety of modern solution algorithms dynamic parallel load-balancing and iterative solvers.! ! Xyce is primarily used to simulate the voltage and current behavior of a circuit network (a network of electronic devices connected via a conductive network). As a tool, it is mainly used for the design and analysis of electronic circuits.! ! Kirchoff's conservation laws are enforced over a network using modified nodal analysis. This results in a set of differential algebraic equations (DAEs). The resulting nonlinear problem is solved iteratively using a fully coupled Newton method, which in turn results in a linear system that is solved by either a standard sparse-direct solver or iteratively using Trilinos linear solver packages, also developed at Sandia National Laboratories.

Source record↗

DOE OSTI2022

Xyce(™) Parallel Electronic Simulator v.7.5

Source record↗

DOE OSTI2013

Xyce(™) Parallel Electronic Simulator v.7.6

Keiter, Eric↗

DOE OSTI2025

Extending JuTrack’s capabilities to the FRIB accelerator to enhance online modeling

JuTrack is a Julia-based accelerator modeling and tracking package that utilizes compiler-level automatic differentiation (AD) to enable fast and accurate derivative calculations. While JuTrack provides a solid foundation for beam dynamics simulations, its capabilities must be extended to support the Facility for Rare Isotopes (FRIB) linac. This includes modeling heavy-ion linac accelerator components such as the liquid-lithium charge stripper, which facilitates efficient acceleration by remove electrons from heavy isotopes, and incorporating multi-charge state acceleration tracking, which allows for charge-dependent beam dynamics. These extensions address challenges such as the beam matching and optimization of multi charge state through various accelerating structures and beam-material interaction modeling while maintaining the auto differentiation capability. This work focuses on adapting JuTrack to incorporate these elements, enhancing its online modeling abilities. We present modifications to JuTrack’s framework and demonstrate their performance in FRIB simulations.

Accelerator Physics↗