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DOE OSTI2016

Remote Gamma Ray Spectrum Acquisition

An approach is presented that utilizes networking, hardware, and software components to allow data acquisition from Canberra's Osprey multi-channel analyzer (MCA) detector. The research has allowed researchers to remotely connect to Canberra's ProSpect gamma spectroscopy software and the detector by making use of Windows Server 2012 and a network connection. Gamma rays are ionizing, electromagnetic radiation of high energy and short wavelength. They are produced primarily by radioactive decay. Several undergraduate courses at Texas A and M University-Kingsville focus on teaching students to measure and research gamma rays while in the laboratory. Recent needs have motivated efforts to develop a network solution that allows authorized students and researchers to access the ProSpect software and Osprey MCA detectors remotely from multiple computers connected to the campus network. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

The Decadal Climate Prediction Project (DCPP) contribution to CMIP6

The Decadal Climate Prediction Project (DCPP) is a coordinated multi-model investigation into decadal climate prediction, predictability, and variability. The DCPP makes use of past experience in simulating and predicting decadal variability and forced climate change gained from the fifth Coupled Model Intercomparison Project (CMIP5) and elsewhere. It builds on recent improvements in models, in the reanalysis of climate data, in methods of initialization and ensemble generation, and in data treatment and analysis to propose an extended comprehensive decadal prediction investigation as a contribution to CMIP6 (Eyring et al., 2016) and to the WCRP Grand Challenge on Near Term Climate Prediction (Kushnir et al., 2016). The DCPP consists of three components. Component A comprises the production and analysis of an extensive archive of retrospective forecasts to be used to assess and understand historical decadal prediction skill, as a basis for improvements in all aspects of end-to-end decadal prediction, and as a basis for forecasting on annual to decadal timescales. Component B undertakes ongoing production, analysis and dissemination of experimental quasi-real-time multi-model forecasts as a basis for potential operational forecast production. Component C involves the organization and coordination of case studies of particular climate shifts and variations, both natural and naturally forced (e.g. the “hiatus”, volcanoes), including the study of the mechanisms that determine these behaviours. Furthermore, groups are invited to participate in as many or as few of the components of the DCPP, each of which are separately prioritized, as are of interest to them. The Decadal Climate Prediction Project addresses a range of scientific issues involving the ability of the climate system to be predicted on annual to decadal timescales, the skill that is currently and potentially available, the mechanisms involved in long timescale variability, and the production of forecasts of benefit to both science and society.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multi- scale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plas- ticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. Beyond cases studies in concurrent multiscale, we explore progress in crystal plastic- ity through modular designs, solution methodologies, model verification, and extensions to Sierra/SM and manycore applications. Advances in conformal microstructures having both hexahedral and tetrahedral workflows in Sculpt and Cubit are highlighted. A structure-property case study in two-phase metallic composites applies the Materials Knowledge System to local metrics for void evolution. Discussion includes lessons learned, future work, and a summary of funded efforts and proposed work. Finally, an appendix illustrates the need for two-way coupling through a single degree of freedom.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Development of a high-fidelity multi-cycle model of the NuScale small modular reactor using VERA

With growing renewables penetration, there is increased interest in flexible power operation for nuclear reactors. For multi-unit SMRs, in particular the NuScale SMR, which is an integral pressurized water reactor, there are opportunities to optimize flexible power operation across multiple units to limit the degradation of structural and control components. Here, we focus on degradation of in-core components, specifically the control rods and reactor pressure vessel. To perform these studies a high-fidelity, multi-cycle representation of the NuScale SMR is required, with a detailed representation of the structural and control components. To this end, the NuScale SMR has been modelled using the Virtual Environment for Reactor Applications (VERA) software. The entire transition to equilibrium is simulated, from Cycle 1 through to the equilibrium cycle. The equilibrium cycle model shows a good agreement with the NuScale design certification application (DCA) results, with differences attributable to a combination of using public domain data for the present study, and methodological differences. K-effective, power distributions, reactivity coefficients, and boron letdown curves are compared and all found to closely match. This shows that the VERA model is suitable for further studies. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2005

Multi-Scale Modeling of a Graphite-Epoxy-Nanotube System

A multi-scale method is utilized to determine some of the constitutive properties of a three component graphite-epoxy-nanotube system. This system is of interest because carbon nanotubes have been proposed as stiffening and toughening agents in the interlaminar regions of carbon fiber/epoxy laminates. The multi-scale method uses molecular dynamics simulation and equivalent-continuum modeling to compute three of the elastic constants of the graphite-epoxy-nanotube system: C11, C22, and C33. The 1-direction is along the nanotube axis, and the graphene sheets lie in the 1-2 plane. It was found that the C11 is only 4% larger than the C22. The nanotube therefore does have a small, but positive effect on the constitutive properties in the interlaminar region.

Frankland, S. J. V.↗

NASA NTRS2002

Overview of NASA Multi-dimensional Stirling Convertor Code Development and Validation Effort

A NASA grant has been awarded to Cleveland State University (CSU) to develop a multi-dimensional (multi-D) Stirling computer code with the goals of improving loss predictions and identifying component areas for improvements. The University of Minnesota (UMN) and Gedeon Associates are teamed with CSU. Development of test rigs at UMN and CSU and validation of the code against test data are part of the effort. The one-dimensional (1-D) Stirling codes used for design and performance prediction do not rigorously model regions of the working space where abrupt changes in flow area occur (such as manifolds and other transitions between components). Certain hardware experiences have demonstrated large performance gains by varying manifolds and heat exchanger designs to improve flow distributions in the heat exchangers. 1-D codes were not able to predict these performance gains. An accurate multi-D code should improve understanding of the effects of area changes along the main flow axis, sensitivity of performance to slight changes in internal geometry, and, in general, the understanding of various internal thermodynamic losses. The commercial CFD-ACE code has been chosen for development of the multi-D code. This 2-D/3-D code has highly developed pre- and post-processors, and moving boundary capability. Preliminary attempts at validation of CFD-ACE models of MIT gas spring and "two space" test rigs were encouraging. Also, CSU's simulations of the UMN oscillating-flow fig compare well with flow visualization results from UMN. A complementary Department of Energy (DOE) Regenerator Research effort is aiding in development of regenerator matrix models that will be used in the multi-D Stirling code. This paper reports on the progress and challenges of this

Tew, Roy C.↗

NASA NTRS2001

A Model-based Health Monitoring and Diagnostic System for the UH-60 Helicopter

Model-based reasoning techniques hold much promise in providing comprehensive monitoring and diagnostics capabilities for complex systems. We are exploring the use of one of these techniques, which utilizes multi-signal modeling and the TEAMS-RT real-time diagnostic engine, on the UH-60 Rotorcraft Aircrew Systems Concepts Airborne Laboratory (RASCAL) flight research aircraft. We focus on the engine and transmission systems, and acquire sensor data across the 1553 bus as well as by direct analog-to-digital conversion from sensors to the QHuMS (Qualtech health and usage monitoring system) computer. The QHuMS computer uses commercially available components and is rack-mounted in the RASCAL facility. A multi-signal model of the transmission and engine subsystems enables studies of system testability and analysis of the degree of fault isolation available with various instrumentation suites. The model and examples of these analyses will be described and the data architectures enumerated. Flight tests of this system will validate the data architecture and provide real-time flight profiles to be further analyzed in the laboratory.

Patterson-Hine, Ann↗

NASA NTRSDate not supplied

Design and Performance of a Multi-mode Photon-counting Receiver for the NASA O2O Mission

The NASA Orion O2O mission was designed and tested to support high-rate bi-directional optical communications between one of multiple ground sites and a crewed capsule during a 10-day mission. This paper focuses on the design and performance of the receiver that will be based at the NASA White Sands Complex, New Mexico, USA. The main receiver components consist of two 40-cm apertures, each coupled to a specialty multi-mode optical fiber; each fiber coupled to a custom array of superconducting nanowire single-photon detectors; a high-speed, high-channel-count time-to-digital converter; and custom digitizing electronics to perform deserialization, demodulation, clock recovery, and forward error correction with a powerful serially-concatenated pulse-position-modulation turbo code. We show error-free data communication performance up to the maximum required data rate of 267 Mb/s.

optical↗

DOE OSTI2025

A multi model ensemble reveals net climate benefits from regenerative practices in US Midwest croplands

Process-based cropping systems models (CSMs) are key components of measurement, monitoring, reporting, and verification frameworks of carbon markets, but model-specific differences limit their applicability across diverse pedo-climatic conditions and agronomic practices. Multi-model ensemble (MME) provides an opportunity to better estimate changes in soil organic carbon (SOC) and nitrous oxide (N 2 O) emissions from agronomic practices at scale. We used an MME across 46 million hectares of US Midwest cropland at a resolution of 4-km 2 to assess the aggregate ability of different regenerative practices to sequester SOC and N 2 O emissions compared to their counterfactual dynamic baselines. MME was validated against long-term trials and compared to its constituent CSMs, showing greater accuracy and lower uncertainty. The results show that adopting no-till combined with cover crops increased SOC stocks by 0.36 ± 0.12 Mg ha -1 yr -1 , corresponding to a net regional SOC gain of 16.4 Tg C yr -1 compared to business-as-usual baselines. These benefits are halved when each management is practiced individually, and the SOC gains are only fully realized with low initial carbon stock. By including N 2 O emissions, we can assess the overall climate mitigation potential, specifically, the extent to which carbon sequestration can offset direct N 2 O emissions. The magnitude of this potential varies depending on management practices and geographic location with net climate benefits on average ranging from 0 to 3 Mg CO 2 -eq ha -1 yr -1 . High-resolution MME results allow for robust estimates of climate mitigation, reducing barriers to carbon market participation and supporting regenerative agriculture initiatives at scale.

carbon credits↗

DOE OSTI2026

Design, Processing, and Properties of WTaCrV-Hf Multi-principal Element Alloys

Refractory multi-principal element alloys are candidates for high-temperature structural components due, in part, to their high strength and high melting points. Single-phase materials are initially preferred for isotropic material properties as a function of time and temperature in service conditions. This work outlines a computational rank-ordering and experimental validation methodology for single-phase body-centered-cubic phase stability in WTaCrV-Hf alloys using order–disorder transition temperature. Eight compositions were fabricated by arc-melting and heat-treated at 1400 °C for 24 hrs. X-ray diffraction, energy-dispersive x-ray spectroscopy, and Vickers hardness testing showed alloys with order–disorder transition temperatures below 600 °C formed a single-phase body-centered-cubic structure during solidification and remained single-phase after heat-treatment. The sample possessing the lowest order–disorder transition temperature exhibited slip traces suggestive of room-temperature plastic deformation under Vickers indentation, with both heat-treated single-phase samples exhibiting hardnesses over 800 HV with little cracking compared to tungsten. These results establish order–disorder transition temperature as a viable predictive parameter for multi-principal element alloy phase stability. The methodology outlined in this work provides a framework for future design, fabrication, and characterization of high-temperature structural multi-principal element alloys.

CALPHAD↗

DOE OSTI2015

Effective properties of a fly ash geopolymer: Synergistic application of X-ray synchrotron tomography, nanoindentation, and homogenization models

Microstructural and micromechanical investigation of a fly ash-based geopolymer using: (i) synchrotron X-ray tomography (XRT) to determine the volume fraction and tortuosity of pores that are influential in fluid transport, (ii) mercury intrusion porosimetry (MIP) to capture the volume fraction of smaller pores, (iii) scanning electron microscopy (SEM) combined with multi-label thresholding to identify and characterize the solid phases in the microstructure, and (iv) nanoindentation to determine the component phase elastic properties using statistical deconvolution, is reported in this paper. The phase volume fractions and elastic properties are used in multi-step mean field homogenization (Mori–Tanaka and double inclusion) models to determine the homogenized macroscale elastic modulus of the composite. The homogenized elastic moduli are in good agreement with the flexural elastic modulus determined on macroscale paste beams. The combined use of microstructural and micromechanical characterization tools at multiple scales provides valuable information towards the material design of fly ash geopolymers.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Understanding software faults and their role in software reliability modeling

This study is a direct result of an on-going project to model the reliability of a large real-time control avionics system. In previous modeling efforts with this system, hardware reliability models were applied in modeling the reliability behavior of this system. In an attempt to enhance the performance of the adapted reliability models, certain software attributes were introduced in these models to control for differences between programs and also sequential executions of the same program. As the basic nature of the software attributes that affect software reliability become better understood in the modeling process, this information begins to have important implications on the software development process. A significant problem arises when raw attribute measures are to be used in statistical models as predictors, for example, of measures of software quality. This is because many of the metrics are highly correlated. Consider the two attributes: lines of code, LOC, and number of program statements, Stmts. In this case, it is quite obvious that a program with a high value of LOC probably will also have a relatively high value of Stmts. In the case of low level languages, such as assembly language programs, there might be a one-to-one relationship between the statement count and the lines of code. When there is a complete absence of linear relationship among the metrics, they are said to be orthogonal or uncorrelated. Usually the lack of orthogonality is not serious enough to affect a statistical analysis. However, for the purposes of some statistical analysis such as multiple regression, the software metrics are so strongly interrelated that the regression results may be ambiguous and possibly even misleading. Typically, it is difficult to estimate the unique effects of individual software metrics in the regression equation. The estimated values of the coefficients are very sensitive to slight changes in the data and to the addition or deletion of variables in the regression equation. Since most of the existing metrics have common elements and are linear combinations of these common elements, it seems reasonable to investigate the structure of the underlying common factors or components that make up the raw metrics. The technique we have chosen to use to explore this structure is a procedure called principal components analysis. Principal components analysis is a decomposition technique that may be used to detect and analyze collinearity in software metrics. When confronted with a large number of metrics measuring a single construct, it may be desirable to represent the set by some smaller number of variables that convey all, or most, of the information in the original set. Principal components are linear transformations of a set of random variables that summarize the information contained in the variables. The transformations are chosen so that the first component accounts for the maximal amount of variation of the measures of any possible linear transform; the second component accounts for the maximal amount of residual variation; and so on. The principal components are constructed so that they represent transformed scores on dimensions that are orthogonal. Through the use of principal components analysis, it is possible to have a set of highly related software attributes mapped into a small number of uncorrelated attribute domains. This definitively solves the problem of multi-collinearity in subsequent regression analysis. There are many software metrics in the literature, but principal component analysis reveals that there are few distinct sources of variation, i.e. dimensions, in this set of metrics. It would appear perfectly reasonable to characterize the measurable attributes of a program with a simple function of a small number of orthogonal metrics each of which represents a distinct software attribute domain.

Munson, John C.↗

DOE OSTI2024

Modeling of Induction Motors and Variable Speed Drives for Multi-Domain System Simulations Using Modelica and the OpenIPSL Library

This paper introduces an innovative method for characterizing, implementing, and validating both three-phase and single-phase induction motor models, accompanied by a variable speed drive model. The primary goal is to investigate interactions between the electrical power grid and other dynamic domains (e.g., thermofluidic) that impact motor/load drive behavior. Our approach involves establishing a mechanical interface based on a physically meaningful equation linking motor torque/speed to the electrical model in the phasor domain. This allows seamless integration of diverse domain subsystems into a unified multi-domain model using Modelica v4.0.0 and the OpenIPSL library v3.0.1, overcoming co-simulation limitations. The proposed model, which requires only one Modelica-compliant tool for simulation, introduces additional dynamics through the mechanical interface, enabling explicit simulation of load disturbances based on constitutive physics. This deepens our understanding of dynamic interactions between the electrical power domain and other subsystems connected through the motor. We detail the modeled components using mathematical equations and textual descriptions, emphasizing the Modelica modeling approach. Simulation examples validate the implementation, demonstrating the multi-domain modeling capabilities of the newly developed components.

Computer Science↗

DOE OSTI2016

Multi-frequency radio profiles of PSR B1133+16: Radiation location and particle energy

The pulse profile of PSR B1133+16 is usually regarded as a conal double structure. However, its multi-frequency profiles cannot simply be fitted with two Gaussian functions, and a third component is always needed to fit the bridge region (between two peaks). This would introduce additional, redundant parameters. In this paper, through a comparison of five fitting functions (Gaussian, von Mises, hyperbolic secant, square hyperbolic secant, and Lorentz), it is found that the square hyperbolic secant function can best reproduce the profile, yielding an improved fit. Moreover, a symmetric 2D radiation beam function, instead of a simple 1D Gaussian function, is used to fit the profile. Each profile with either well-resolved or not-so-well-resolved peaks could be fitted adequately using this beam function, and the bridge emission between the two peaks does not need to be a new component. Adopting inclination and impact angles based on polarization measurements, the opening angle (θ{sub μ0}) of the radiation beam in a certain frequency band is derived from beam-function fitting. The corresponding radiation altitudes are then calculated. Based on multi-frequency profiles, we also computed the Lorentz factors of the particles and their dispersion at those locations in both the curvature-radiation and inverse-Compton-scattering models. We found that the Lorentz factors of the particles decrease rapidly as the radiation altitude increases. Besides, the radiation prefers to be generated in an annular region rather than the core region, and this needs further validation.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1989

Recent developments in deployment analysis simulation using a multi-body computer code

Deployment is a candidate mode for construction of structural space systems components. By its very nature, deployment is a dynamic event, often involving large angle unfolding of flexible beam members. Validation of proposed designs and conceptual deployment mechanisms is enhanced through analysis. Analysis may be used to determine member loads thus helping to establish deployment rates and deployment control requirements for a given concept. Futhermore, member flexibility, joint free-play, manufacturing tolerances, and imperfections can affect the reliability of deployment. Analyses which include these effects can aid in reducing risks associated with a particular concept. Ground tests which can play a similar role to that of analyses are difficult and expensive to perform. Suspension systems just for vibration ground tests of large space structures in a 1 g environment present many challenges. Suspension of a structure which spatially expands is even more challenging. Analysis validation through experimental confirmation on relatively small simple models would permit analytical extrapolation to larger more complex space structures.

Housner, Jerrold M.↗

DOE OSTI2020

Taming the fixed-node error in diffusion Monte Carlo via range separation

By combining density-functional theory (DFT) and wave function theory via the range separation (RS) of the interelectronic Coulomb operator, we obtain accurate fixed-node diffusion Monte Carlo (FN-DMC) energies with compact multi-determinant trial wave functions. In particular, we combine here short-range exchange-correlation functionals with a flavor of selected configuration interaction known as configuration interaction using a perturbative selection made iteratively (CIPSI), a scheme that we label RS-DFT-CIPSI. One of the take-home messages of the present study is that RS-DFT-CIPSI trial wave functions yield lower fixed-node energies with more compact multi-determinant expansions than CIPSI, especially for small basis sets. Indeed, as the CIPSI component of RS-DFT-CIPSI is relieved from describing the short-range part of the correlation hole around the electron-electron coalescence points, the number of determinants in the trial wave function required to reach a given accuracy is significantly reduced as compared to a conventional CIPSI calculation. Importantly, by performing various numerical experiments, we evidence that the RS-DFT scheme essentially plays the role of a simple Jastrow factor by mimicking short-range correlation effects, hence avoiding the burden of performing a stochastic optimization. Considering the 55 atomization energies of the Gaussian-1 benchmark set of molecules, we show that using a fixed value of mu = 0.5 bohr(-1) provides effective error cancellations as well as compact trial wave functions, making the present method a good candidate for the accurate description of large chemical systems.

Scemama, Anthony↗

DOE OSTI2026

Agentic traffic intelligence: Augmented human-in-the-loop scenario generation for microscopic traffic simulation

Traditional microscopic traffic simulation generation often relies on static datasets and manual design, limiting its ability to simulate complex conditions easily. This paper presents a novel framework, Agentic Traffic Intelligence, which combines human approval large language models (LLMs), the Real-Twin tool, and multi-agent systems to perform realistic microscopic traffic simulation scenario generation. The proposed framework incorporates human-in-the-loop (HIL) control, retrieval-augmented generation (RAG), and multi-agent control mechanisms. HIL mechanisms are used to guide multiple LLMs focused on attributes for microscopic simulation generation and to improve the interpretability and transparency of LLM execution for users. RAG enhances context extraction by dynamically integrating external knowledge sources for traffic scenario generation foundations. A multi-agent architecture with supervisory control coordinates the interaction of simulation components, including traffic simulators, control logic, and calibration tools. This enables the synthesis of simulation-ready scenarios that reflect dynamic demand profiles and behavior controls. Furthermore, the framework fuses multisource traffic data with unstructured context and supports iterative refinement through interactive user feedback. Validated through microscopic simulation using Simulation of Urban Mobility, the generated scenarios demonstrate high-fidelity network generation with inflow and turn movement and behavioral calibration, offering a robust and efficient tool for stress-testing and optimizing urban mobility systems.

Hierarchical multi-agent control↗

DOE OSTI2016

Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy

Using standard hardware available in chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy, an experimental method is introduced to selectively extract from the microwave spectrum of an otherwise complicated multicomponent mixture a set of transitions due to a single component, thereby speeding spectral assignment. The method operates the broadband chirped-pulse used to excite the sample in the strong-field limit through a combination of high power and control of the sweep rate. A procedure is introduced that leads to selection of three transition frequencies that can be incorporated as a set of resonant sequential single-frequency microwave pulses that follow broadband chirped-pulse excitation, resulting in a reduction in the coherent signal from a set of transitions ascribable to the component of interest. The difference in the CP-FTMW spectrum with and without this set of multi-resonant single-frequency pulses produces a set of transitions that can confidently be assigned to a single component of the mixture, aiding the analysis of its spectrum. In conclusion, the scheme is applied to (i) selectively extract the spectrum of one of five singly 13 C-subsituted isotopologues of benzonitrile in natural abundance, (ii) obtain the microwave spectra of the two structural isomers (E)- and (Z)-phenylvinylnitrile, and (iii) obtain conformer-specific microwave spectra of methylbutyrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗