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DOE OSTI2022

Suppression of ferromagnetism governed by a critical lattice parameter in CeTiGe 3 with hydrostatic pressure or V substitution

We combine structural and magnetic measurements to compare the different magnetic phase diagrams between the pressure and substitution studies in CeTiGe 3 . We report on the structural, magnetic, and electrical transport properties of single crystals of CeTi 1–x V x Ge 3 (x = 0, 0.1, 0.2, 0.3, 0.4, 0.9, and 1), and of polycrystalline samples (x = 0.5, 0.6, 0.7, 0.8), as well as structural properties of CeTiGe 3 under pressure up to 9 GPa. The ferromagnetic ordering in CeTiGe 3 is suppressed with V doping in CeTi 1–x V x Ge 3 , and suggests a possible ferromagnetic quantum critical point near x = 0.45. We perform a detailed crystalline electric field (CEF) analysis, and the magnetic susceptibility data in pure CeTiGe 3 and CeVGe 3 can be well explained by the CEF model. The proposed CEF energy levels suggest that there is a gradual change of the ground state from |±5/2 in CeTiGe 3 to |±1/2 in CeVGe 3 , and a suppression of CEF splitting energies near the quantum critical region. When hydrostatic pressure is used instead of chemical substitution, the quantum critical point is avoided by the appearance of magnetic phases above around 4.1 GPa. In the substitution study, the ferromagnetic and antiferromagnetic regions are well separated, whereas they touch in the pressure study. We observe a different trend in the temperature dependence of the resistivity maximum in both studies, suggesting that the CEF splitting energy is suppressed by V substitution but enhanced by pressure. Here, we also observe different responses in lattice constants between the two studies, highlighting the fact that substitution effects cannot be reduced to chemical pressure effects only. Nevertheless, when the magnetic phase diagrams of both hydrostatic pressure and substitution are compared, we find a common critical lattice constant c = 5.78 Å where the ferromagnetic ordering is suppressed in both studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1990

Performance bounds on parallel self-initiating discrete-event

The use is considered of massively parallel architectures to execute discrete-event simulations of what is termed self-initiating models. A logical process in a self-initiating model schedules its own state re-evaluation times, independently of any other logical process, and sends its new state to other logical processes following the re-evaluation. The interest is in the effects of that communication on synchronization. The performance is considered of various synchronization protocols by deriving upper and lower bounds on optimal performance, upper bounds on Time Warp's performance, and lower bounds on the performance of a new conservative protocol. The analysis of Time Warp includes the overhead costs of state-saving and rollback. The analysis points out sufficient conditions for the conservative protocol to outperform Time Warp. The analysis also quantifies the sensitivity of performance to message fan-out, lookahead ability, and the probability distributions underlying the simulation.

Nicol, David M.↗

DOE OSTI2023

The Gross-Neveu-Yukawa archipelago

We perform a bootstrap analysis of a mixed system of four-point functions of bosonic and fermionic operators in parity-preserving 3d CFTs with O(N) global symmetry. Our results provide rigorous bounds on the scaling dimensions of the O(N)-symmetric Gross-Neveu-Yukawa (GNY) fixed points, constraining these theories to live in isolated islands in the space of CFT data. We focus on the cases N = 1, 2, 4, 8, which have applications to phase transitions in condensed matter systems, and compare our bounds to previous analytical and numerical results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Data transfers for full core heterogeneous reactor high- fidelity multiphysics studies

Multiphysics simulations for nuclear reactor analysis are usually performed by resorting to operator splitting and fixed point iterations between single-physics solvers. This enables the separate solution of each physics, such as neutronics, fuel performance, and thermal hydraulics, on meshes tailored to the requirements of the respective numerical discretizations of the equations. As the equations are coupled, several fields must be transferred between single-physics solves. Projecting fields between meshes while preserving order of accuracy, conservation properties, and mapping non-overlapping geometries is a complex endeavor. This conference paper will present the transfers as implemented in MOOSE, which can handle arbitrary meshes, arbitrary mappings, conservation of integral quantities, and are made to scale with distributed simulations on both ends of the transfers. Their adequacy for advanced nuclear reactor multiphysics coupling is shown through examples and numerical studies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1986

Theoretical analysis of segmented Wolter/LSM X-ray telescope systems

The Segmented Wolter I/LSM X-ray Telescope, which consists of a Wolter I Telescope with a tilted, off-axis convex spherical Layered Synthetic Microstructure (LSM) optics placed near the primary focus to accommodate multiple off-axis detectors, has been analyzed. The Skylab ATM Experiment S056 Wolter I telescope and the Stanford/MSFC nested Wolter-Schwarzschild x-ray telescope have been considered as the primary optics. A ray trace analysis has been performed to calculate the RMS blur circle radius, point spread function (PSF), the meridional and sagittal line functions (LST), and the full width half maximum (PWHM) of the PSF to study the spatial resolution of the system. The effects on resolution of defocussing the image plane, tilting and decentrating of the multilayer (LSM) optics have also been investigated to give the mounting and alignment tolerances of the LSM optic. Comparison has been made between the performance of the segmented Wolter/LSM optical system and that of the Spectral Slicing X-ray Telescope (SSXRT) systems.

Shealy, D. L.↗

NASA NTRS1985

Space station long-term lubrication analysis

The objectives of this program are: (1) to perform a complete tribology survey of every point of contact in the space station subject to relative motion regarding the materials, environment, and operation characteristics, (2) to review each point of relative motion regarding the selected materials and lubricants from the standpoint of the required operating characteristics and environmental conditions, (3) to make recommendations for improvements where the lubricants and/or materials are not considered optimum, and (4) to perform or recommend simulated or full-scale tests on components where problems are possible or likely because of new designs, significant design extensions beyond current practice, or sensitivity of other components to problems with a particular point of contact. The project is to be conducted over a 3-year time frame in two phases. Phase 1 will be a preliminary analysis conducted during the preliminary design phases of the Space Station. Phase 2 will be a more detailed analysis conducted during the period when the design becomes more established.

Dufrane, K. F.↗

NASA NTRS2016

Addressing Thermal Model Run Time Concerns of the Wide Field Infrared Survey Telescope using Astrophysics Focused Telescope Assets (WFIRST-AFTA)

The Wide Field Infrared Survey Telescope using Astrophysics Focused Telescope Assets (WFIRST-AFTA) utilizes an existing 2.4 m diameter Hubble sized telescope donated from elsewhere in the federal government for near-infrared sky surveys and Exoplanet searches to answer crucial questions about the universe and dark energy. The WFIRST design continues to increase in maturity, detail, and complexity with each design cycle leading to a Mission Concept Review and entrance to the Mission Formulation Phase. Each cycle has required a Structural-Thermal-Optical-Performance (STOP) analysis to ensure the design can meet the stringent pointing and stability requirements. As such, the models have also grown in size and complexity leading to increased model run time. This paper addresses efforts to reduce the run time while still maintaining sufficient accuracy for STOP analyses. A technique was developed to identify slews between observing orientations that were sufficiently different to warrant recalculation of the environmental fluxes to reduce the total number of radiation calculation points. The inclusion of a cryocooler fluid loop in the model also forced smaller time-steps than desired, which greatly increases the overall run time. The analysis of this fluid model required mitigation to drive the run time down by solving portions of the model at different time scales. Lastly, investigations were made into the impact of the removal of small radiation couplings on run time and accuracy. Use of these techniques allowed the models to produce meaningful results within reasonable run times to meet project schedule deadlines.

Thermal Analysis↗

NASA NTRS2024

A Feasibility Study of 4-D Tomography of Soft X-ray Magnetosheath Emissivities Using Multi-Spacecraft Measurements

Upcoming heliophysics missions utilize state-of-the-art wide field-of-view (FOV) imaging technology to measure and investigate the space plasma environment on a global scale. At Earth, remote sensing of soft X-ray emissions, which are generated via the charge exchange interaction between heavy solar wind ions and exospheric neutral atoms, is a promising means to investigate the global magnetosheath structure, its response to varying solar wind conditions, and the spatiotemporal properties of the dayside magnetic reconnection. Data analysis techniques such as optical tomography can provide additional structural and time-varying information from the observed target and thus enhance the mission’s scientific return. In this work, we simulate multiple and simultaneous observations of the dayside magnetosphere using soft X-ray imagers located at long-distance vantage points to reconstruct the time-dependent, three-dimensional (3-D) structure of the magnetosheath using a dynamic tomographic approach. The OpenGCCM MHD model is used to simulate the time-varying response of the magnetosheath to solar wind conditions and, subsequently, generate synthetic soft X-ray images from multiple spacecraft vantage points separated along a common orbit. A detailed analysis is then performed to identify the nominal set of spacecraft that produces the highest fidelity tomographic reconstruction of the magnetopause. This work aims to (i) demonstrate, for the first time, the use of dynamic tomography to retrieve the time-varying magnetosheath structure and (ii) identify a nominal mission design for multi-spacecraft configurations aiming for optical tomography.

3-D/4_d tomography↗

DOE OSTI2026

Dark Energy Survey Year 6 Results: Cosmological Constraints from Galaxy Clustering and Weak Lensing

We present cosmology results combining galaxy clustering and weak gravitational lensing measured in the full six years (Y6) of observations by the Dark Energy Survey (DES) covering $\sim$5000 deg$^2$. We perform a large-scale structure analysis using three two-point correlation functions (3$\times$2pt): (i) cosmic shear from 140 million source galaxy shapes, (ii) galaxy clustering of 9 million lens galaxy positions, and (iii) galaxy-galaxy lensing from their cross-correlation. We model the data in flat $Λ$CDM and $w$CDM cosmologies. The combined analysis yields $S_8\equiv σ_8 (Ω_{\rm m}/0.3)^{0.5} = 0.789^{+0.012}_{-0.012}$ and matter density $Ω_{\rm m} = 0.333^{+0.023}_{-0.028}$ in $Λ$CDM (68% CL), where $σ_8$ is the clustering amplitude. These constraints show a (full-space) parameter difference of 1.8$σ$ from a combination of cosmic microwave background (CMB) primary anisotropy datasets from Planck 2018, ACT-DR6, and SPT-3G DR1. Projected only into $S_8$ the difference is $2.6σ$. In $w$CDM the Y6 3$\times$2pt results yield $S_8 = 0.782^{+0.021}_{-0.020}$, $Ω_{\rm m} = 0.325^{+0.032}_{-0.035}$, and dark energy equation-of-state parameter $w = -1.12^{+0.26}_{-0.20}$. For the first time, we combine all DES dark-energy probes: 3$\times$2pt, SNe Ia, BAO and Clusters. In $Λ$CDM this combination yields a $2.8σ$ parameter difference from the CMB. When combining DES 3$\times$2pt with other low-redshift datasets (DESI DR2 BAO, DES SNe Ia, SPT clusters), we find a 2.3$σ$ parameter difference with CMB. A joint fit of Y6 3$\times$2pt, CMB, and those low-redshift datasets produces the tightest $Λ$CDM constraints to date: $S_8 = 0.806^{+0.006}_{-0.007}$, $Ω_{\rm m} = 0.302^{+0.003}_{-0.003}$, $h = 0.683^{+0.003}_{-0.002}$, and $\sum m_ν< 0.14$ eV (95% CL). In $w$CDM, this combination yields $w = -0.981^{+0.021}_{-0.022}$.

Abbott, T. M.C. [Cerro-Tololo InterAmerican Obs.]↗

NASA NTRS2003

Theoretical Analysis of Thermodynamic Measurements near a Liquid-Gas Critical Point

Over the years, many ground-based studies have been performed near liquid-gas critical points to elucidate the expected divergences in thermodynamic quantities. The unambiguous interpretation of these studies very near the critical point is hindered by a gravity-induced density stratification. However, these ground-based measurements can give insight into the crossover behavior between the asymptotic critical region near the transition and the mean field region farther away. We have completed a detailed analysis of heat capacity, susceptibility and coexistence curve measurements near the He-3 liquid-gas critical point using the minimal-subtraction renormalization (MSR) scheme within the phi(exp 4) model. This MSR scheme, using only two adjustable parameters, provides a reasonable global fit to all of these experimental measurements in the gravity-free region out to a reduced temperature of |t| approx. 2x10(exp -2). Recently this approach has also been applied to the earlier microgravity measurements of Haupt and Straub in SF(sub 6) with surprising results. The conclusions drawn from the MSR analyses will be presented. Measurements in the gravity-affected region closer to the He-3 critical point have also been analyzed using the recent crossover parametric model (CPM) of the equation-of-state. The results of fitting heat capacity measurements to the CPM model along the He-3 critical isochore in the gravity-affected region will also be presented.

Barmatz, M.↗

NASA NTRS1998

An Experimental Investigation of Transverse Tension Fatigue Characterization of IM6/3501-6 Composite Materials Using a Three-Point Bend Test

As composites are introduced into more complex structures with out-of-plane loadings, a better understanding is needed of the out-of-plane, matrix-dominated failure mechanisms. This work investigates the transverse tension fatigue characteristics of IM6/3501 composite materials. To test the 90 degree laminae, a three-point bend test was chosen, potentially minimizing handling and gripping issues associated with tension tests. A finite element analysis was performed of a particular specimen configuration to investigate the influence of specimen size on the stress distribution for a three-point bend test. Static testing of 50 specimens of 9 different sized configurations produced a mean transverse tensile strength of 61.3 Mpa (8.0 ksi). The smallest configuration (10.2 mm wide, Span-to-thickness ratio of 3) consistently exhibited transverse tensile failures. A volume scale effect was difficult to discern due to the large scatter of the data. Static testing of 10 different specimens taken from a second panel produced a mean transverse tensile strength of 82.7 Mpa (12.0 ksi). Weibull parameterization of the data was possible, but due to variability in raw material and/or manufacturing, more replicates are needed for greater confidence. Three-point flex fatigue testing of the smallest configuration was performed on 59 specimens at various levels of the mean static transverse tensile strength using an R ratio of 0.1 and a frequency of 20 Hz. A great deal of scatter was seen in the data. The majority of specimens failed near the center loading roller. To determine whether the scatter in the fatigue data is due to variability in raw material and/or the manufacturing process, additional testing should be performed on panels manufactured from different sources.

Peck, Ann W.↗

NASA NTRS1996

Efficient Process Migration for Parallel Processing on Non-Dedicated Networks of Workstations

This paper presents the design and preliminary implementation of MpPVM, a software system that supports process migration for PVM application programs in a non-dedicated heterogeneous computing environment. New concepts of migration point as well as migration point analysis and necessary data analysis are introduced. In MpPVM, process migrations occur only at previously inserted migration points. Migration point analysis determines appropriate locations to insert migration points; whereas, necessary data analysis provides a minimum set of variables to be transferred at each migration pint. A new methodology to perform reliable point-to-point data communications in a migration environment is also discussed. Finally, a preliminary implementation of MpPVM and its experimental results are presented, showing the correctness and promising performance of our process migration mechanism in a scalable non-dedicated heterogeneous computing environment. While MpPVM is developed on top of PVM, the process migration methodology introduced in this study is general and can be applied to any distributed software environment.

Chanchio, Kasidit↗

DOE OSTI2025

Implications of point defect accumulation on UO 2 thermal conductivity and fission gas release under accelerated fuel irradiation

Evaluation of thermal properties is a crucial factor for nuclear fuel performance. During reactor operation, the accumulation of fission products and irradiation-induced lattice defects are responsible for degradation in thermal conductivity. Consequently, it affects fuel temperature and fission gas release (FGR) among other Multiphysics processes important for economics and safety analysis. We analyze the implications of point defects (PD) accumulation described using a rate theory (RT) Model on lattice thermal conductivity of UO 2 . Here, we demonstrate that fission rate-dependent point defect concentrations have the largest impact on in-pile thermal conductivity in the periphery of light water reactor fuels below a temperature threshold governed by the migration barrier of defects. Our analysis provides a mechanistic description of this phenomena which current fuel performance codes treat empirically. The reduction of thermal conductivity in the low -temperature rim region acts as additional thermal resistance and leads to a temperature notably larger than suggested by Lucuta thermal conductivity correlation. These effects are anticipated to have notable impacts when fuels are exposed to accelerated radiation. The impact of such point defect-informed treatment of thermal conductivity on fuel performance is evaluated by a detailed analysis of fission gas behavior and its release. We consider several models capturing different stages of fission gas bubble evolution and fission gas release (FGR). Finally, a new fission rate-dependent correction to the Lucuta correlation is proposed. The results show a significant reduction in thermal conductivity at the fuels’ periphery and an increase in fuel centerline temperature specifically at low burnups. Ultimately a modified LC shows a higher FGR compared to the original LC, while the acceleration process results in a reduction in overall FGR.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Charged point defect benchmark of Hybrid and GGA-PBE

Data used by the publication "High-throughput calculations of charged point defect properties with semi-local density functional theory - performance benchmarks for materials screening applications." This work presented an in-depth benchmark analysis of automated, semi-local point defect calculations with a-posteriori corrections, compared to 245 “gold standard” hybrid calculations previously published. We considered three different a-posteriori correction sets for semi-local calculations, implemented in a fully automated workflow, and consider the qualitative and quantitative differences for four different categories of defect information: thermodynamic transition levels, formation energies, fermi levels, and dopability limits. We highlighted the type of qualitative information about point defect properties that can be extracted from high-throughput calculations based on semi-local DFT methods, while also demonstrating the limits of quantitative accuracy that can be achieved by these approaches.

Broberg, Danny↗

NASA NTRSDate not supplied

Analysis of the Amplitude Response of a Two-Point and a Multi-Point Focused Laser Differential Interferometer

Experiments were performed with two different focused laser differential interferometer (FLDI) instruments to assess the relative amplitude response of each instrument to a traveling shockwave generated by a laser spark in air. The first FLDI instrument generated two slightly-separated measurement points, with each measurement point providing sensitivity to density fluctuations induced by the shockwave. By performing a cross-correlation between the signals obtained from each measurement point, the phase velocity of density fluctuations can be obtained. The second FLDI instrument generated a measurement line that was oriented parallel to the shockwave direction of travel with the resulting interference pattern sampled at multiple equally-spaced points along the line. As a result, this instrument provides density fluctuation measurement capability at multiple points simultaneously. When the measurement line is oriented parallel to the shockwave direction of travel, the phase velocity, rate of change of the phase velocity, and acceleration of density fluctuations traveling along each line can be obtained by performing a cross-correlation between points along the line. Numerical computations of the shockwave generated by the laser spark are used to simulate the response of each instrument and are compared to the experimental results. High-speed schlieren imaging has also been performed and is compared with the FLDI measurements and computational results.

Brett F. Bathel↗

NASA NTRSDate not supplied

Analysis of the Amplitude Response of a Two-Point and a Multi-Point Focused Laser Differential Interferometer

Interferometry↗

DOE OSTI2022

Toward Better Understanding of Microphysical Processes and Resulting Precipitation Physics: A Merger Of Observations and Cloud Models (Final Report)

A large database of global disdrometer observations and a diverse set of simulations from the Regional Atmospheric Modeling System (RAMS) were compared using principal component analysis (PCA) in order to better understand warm and ice-based precipitation processes. The analysis demonstrated that six distinct precipitation groups (PGs) with common characteristics were revealed in both the observations and model simulations. These PGs were defined by similar co-variability of rain parameters. However, the model showed large concentrations of drops with a given size compared to the observations. Detailed investigations determined the parameterization of drop breakup was forcing the drops to an equilibrium size with a stronger constraint than was indicated by the observations. A series of sensitivity studies permutating the rain shape parameter in the RAMS 2-moment bulk scheme demonstrated how the assumed shape of the rain distribution influences the microphysics as well as precipitation characteristics. Results were compared to the same simulations performed with a bin microphysics scheme where the rain shape parameter is freely evolving. In the bin scheme, a wide range of shape parameters were found, with horizontal and vertical variability, in addition to being a function of storm lifetime. The results of this study highlight the limitations of a fixed assumed rain distribution in 2-moment microphysics schemes. Model simulations were used to probe the microphysical origins of the six PGs. Rain budgets from a supercell case showed that several of the groups hypothesized to be associated with strong ice microphysical processes had significant contributions from melting hail, but the complexity of ice and warm-rain processes in the supercell precluded definitive determination of microphysical origins for many of the PGs. A case study from the Mid-latitude Continental Convection and Clouds Experiment (MC3E) compared the model PGs to disdrometer observations, and demonstrated the spatial and temporal variability of the PGs which is not possible from disdrometer point measurements alone. The analyses performed during this project demonstrated how statistical analysis can provide a robust method for comparing model simulations and observations, which ultimately resulted identification of limitations in some current microphysics parameterizations as well as insights into precipitation variability which ultimately benefits both observations and modeling efforts.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1998

A Petaflops Era Computing Analysis

This report covers a study of the potential for petaflops (1O(exp 15) floating point operations per second) computing. This study was performed within the year 1996 and should be considered as the first step in an on-going effort. 'Me analysis concludes that a petaflop system is technically feasible but not feasible with today's state-of-the-art. Since the computer arena is now a commodity business, most experts expect that a petaflops system will evolve from current technology in an evolutionary fashion. To meet the price expectations of users waiting for petaflop performance, great improvements in lowering component costs will be required. Lower power consumption is also a must. The present rate of progress in improved performance places the date of introduction of petaflop systems at about 2010. Several years before that date, it is projected that the resolution limit of chips will reach the now known resolution limit. Aside from the economic problems and constraints, software is identified as the major problem. The tone of this initial study is more pessimistic than most of the Super-published material available on petaflop systems. Workers in the field are expected to generate more data which could serve to provide a basis for a more informed projection. This report includes an annotated bibliography.

Preston, Frank S.↗