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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A new waveform analysis technique to extract good energy and position resolution from a dual-axis duo-lateral position-sensitive detector

The dual-axis duo-lateral position-sensitive silicon detector was developed to detect charged particles with high quality position and energy resolution. When these detectors were used with conventional signal processing electronics, an empirically determined correction was used to improve energy resolution. In this work, the waveforms from the detector after preamplification are studied in detail to investigate position information contained in the waveforms. A 7.22 MeV/nucleon alpha particle beam was impinged directly on a masked dual-axis duo-lateral detector. Data obtained using a 228 Th alpha particle source was also used. Here, by studying the waveform characteristics that give rise to the position-dependent distortions, a new summed trigger analysis method has been developed to significantly improve linearity in position reconstruction without sacrificing energy resolution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Anisotropic neutron response of trans-stilbene and impact on a handheld dual particle imager

Here this manuscript details measurements of the anisotropic light-output response of trans-stilbene, henceforth referred to as stilbene, along the three primary crystal planes and analyzes how this anisotropic response impacts neutron image reconstruction in a handheld dual particle imager (H2DPI). A prototype H2DPI composed of stilbene pillars (6 x 6 x 50 mm 3 ) coupled to silicon photomultipliers was built and is capable of imaging both fast neutrons and gamma rays from kilogram quantities of special nuclear material. Stilbene was chosen as the scintillating medium for the imager because of its pulse shape discrimination capability, time resolution and relatively high light output. A drawback to using stilbene, however, is the anisotropic response. A recoiling proton from a neutron elastic-scattering event in stilbene will yield different amounts of scintillation light depending on the direction of the recoiling proton with respect to the crystal lattice. This manuscript analyzes how this anisotropic response impacts neutron image reconstruction in 4π. The light output in the three primary crystal planes of stilbene were independently measured 6–7 times for proton recoil energies ranging from 0.5–5.0 MeV using a quasi-monoenergetic time-of-flight neutron source. The measured light-output data in the three crystal planes were fit with a semi-empirical function based on Birks’ formula. These fits were used to reconstruct the location of a 252 Cf source in front of the imager (0°, -0.8°), to the left of the imager (-90°, -0.8°) and directly above the imager (0°, 90°) to determine if it is necessary to apply the directionally-dependent response of stilbene to accurately reconstruct source locations. A bootstrapping technique was applied to the measured data sets to produce 1000 images composed of 2000 cone projections for each source location and each measured light-output curve. List-mode maximum likelihood expectation maximization was applied to each image; the highest pixel location and the full width at half maximum (FWHM) were then recorded. The average and standard deviations of these parameters were taken for each set of images. The maximum difference in the average azimuthal pixel location when varying between the appropriate and incorrect light-output curves for the source locations at (0°, -0.8°) and (-90°, -0.8°) were respectively found to be 1.85 ± 1.39° and 2.03 ± 1.78°. All other pixel locations and FWHMs were within a single standard deviation of uncertainty. Taken together, the anisotropic response of stilbene has negligible impact on the neutron image reconstruction capability of the H2DPI.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Adiabatic fast passage spin manipulation measurements in solid polarized targets

Adiabatic fast passage (AFP) is a rapid method for reversing nuclear polarization and manipulating spin populations in polarized solid targets, avoiding the long repolarization times associated with dynamic nuclear polarization (DNP). We report AFP measurements in a 5 T, 1 K polarized-target system for irradiated 15 NH 3 , irradiated 14 ND 3 , and butanol-based materials prepared either with TEMPO doping or by irradiation. We also present a joint manipulated-lineshape analysis for spin-1 targets and demonstrate that vector and tensor polarizations can be extracted from AFP-manipulated deuteron NMR spectra even when the populations are not described by a single Boltzmann spin temperature. In conclusion, we report a reproducible polarization- and direction-dependent AFP response in a large irradiated 15 NH 3 sample. These ammonia results are presented as empirical observations under the specific sample–coil conditions of the experiment, with possible circuit-mediated mechanisms such as radiation damping or superradiant behavior discussed but not assigned as a definitive cause.

Adiabatic fast passage↗
DOE OSTI2024

Investigating the effect of B T direction on W source-to-core pathways during the SAS-VW campaign on DIII-D

Experiments using the V-shaped closed slot tungsten (W) coated SAS-VW divertor in DIII-D studied the effects of the BT direction on core contamination of eroded tungsten from a closed slot divertor configuration. Core W content is inferred using soft-X ray tomography (SXR) and vacuum ultraviolet spectroscopy (SPRED), while W divertor erosion is inferred from visible spectroscopy of W emission (400.9 nm) measured by in-slot filterscopes (filtered photo-multipliers). Post-mortem analysis from the campaign discovered tile misalignment leading to suspected pronounced leading-edge erosion in the unfavorable BT direction (ion B ⃗×∇B ⃗ drift away from divertor) likely not captured by diagnostics. However, empirical findings show up to ~2-3x larger core contamination in the favorable BT direction even considering no additional W erosion from leading edges. A “source-to-core efficiency factor” is derived to estimate the effects of leading-edge erosion and compare W contamination for two pairs of H-mode discharges in opposite BT directions. While having differing absolute parameters, similar core impurity density gradients suggest comparable core impurity transport. These results show that favorable BT may have stronger source-to-core pathways for W impurities sourced from the outer divertor region. Possible explanations could include the effects of E ⃗×B ⃗ drifts on W transport in the scrape-off-layer (SOL) as well as previously determined fast SOL inner target directed flows in favorable BT.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Development and preliminary validation of a mechanistic multiscale model for fuel-cladding chemical interaction in metallic nuclear fuels

Despite decades of fuel rod material and design improvements, fuel-cladding chemical interaction (FCCI) remains the single-most lifetime-limiting behavior for modern metallic fuel rods. Constraining fuel lifetime increases operating costs, limiting the economic viability of commercializing metallic nuclear fuel technology. A mechanistic multiscale model utilizing the finite element method-based MARMOT and BISON codes was developed to more confidently predict cladding-side FCCI and its impact on fuel performance. The new BISON model incorporates mesoscale models for the effects of fuel microstructure evolution on the transport of wastage-inducing lanthanides through the fuel and for the kinetics of cladding wastage layer growth. The mesoscale models, in turn, build on lanthanide transport property data obtained from the atomistic scale. Preliminary validation studies using wastage thickness and cladding profilometry data from four fuel rods irradiated in Experimental Breeder Reactor II experiment X447 and one fuel rod from Fast Flux Test Facility experiment IFR1 show that the new model predicts cladding wastage and its effects on cladding deformation as well as existing empirical FCCI correlations. The new model is expected to aid in the design of new metallic fuel concepts, including fuel additives, cladding liners, and sodium-free annular fuel geometries. In conclusion, future work will focus on broader validation and refinement of the model’s treatment of different fuel alloys and cladding materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

ROADRUNNER uranium nitride MiniFuel: Experimental design, fabrication and pre-irradiation baseline characterization for accelerated burnup testing

Uranium nitride (UN) is a promising fuel candidate for advanced reactor systems owing to its high uranium density and thermal conductivity; however, its qualification remains constrained by the scarcity of well-controlled irradiation performance data. Here, to address this limitation, the ROADRUNNER (Research On ADvancing the peRformance of UraNium Nitrides in Extreme enviRonments) campaign employs the MiniFuel platform in the High Flux Isotope Reactor (HFIR) to enable accelerated burnup irradiation testing under tightly controlled and largely isothermal conditions. This paper presents the experimental design, fuel fabrication, and pre-irradiation baseline characterization of the ROADRUNNER UN MiniFuel campaign. Thirty-six UN minidisc specimens were fabricated with systematically varied as-fabricated density (86–96% of theoretical density), carbon impurity content (961–5240 ppm), oxygen content (≤ ∼2000 ppm), and grain size (2.5–24 μm). The irradiation matrix spans nominal fuel temperatures of 873 K, 1173 K, and 1473 K and target burnups of 3.75%, 6.0%, and 7.5% fissions per initial metal atom (FIMA). Neutronic and thermal analyses were performed to define specimen-specific burnup accumulation and temperature histories, establishing the boundary conditions for subsequent in-pile behavior. Comprehensive pre-irradiation characterization—including dimensional metrology, density verification, impurity analysis, X-ray diffraction, Raman spectroscopy, scanning electron microscopy, X-ray computed tomography, and confocal profilometry—provides a detailed baseline for post-irradiation examination. Pre-irradiation data were further used to generate predictive estimates of fission gas release and swelling using existing empirical correlations. This quantitative comparison reveals substantial inter-model divergence at intermediate and elevated temperatures that exceeds propagated input uncertainties, highlighting structural gaps in the historical irradiation database. The ROADRUNNER irradiation campaign is currently underway in HFIR, with initial firs cycle completed in late 2025 and remaining targets scheduled through 2027. The experimental design and baseline dataset presented here establish the framework needed to interpret forthcoming post-irradiation measurements and to provide discriminating data for the validation and refinement of physics-based UN fuel performance models.

Lopes, Denise Adorno [Oak Ridge National Laborator↗
DOE OSTI2021

Coulomb field correction due to virtual $e$ + $e$ - production in heavy ion collisions

The correction to the Coulomb energy due to virtual production of $e$ + $e$ - pairs, which is on the order of one percent of the Coulomb energy at nuclear scales is discussed. The effects of including a pair-production term in the semi-empirical mass formula and the correction to the Coulomb barrier for a handful of nuclear collisions using the Bass and Coulomb potentials are studied. Furthermore, with an eye toward future work using Constrained Molecular Dynamics (CoMD) model, we also calculate the correction to the Coulomb energy and force between protons after folding with a Gaussian spatial distribution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

OC7 phase I: CFD investigation of viscous forces on rectangular members of semisubmersibles

In Phase I of the Offshore Code Comparison Collaboration 7 (OC7) project, we aim to address key questions related to the modeling of viscous hydrodynamic loads on floating platforms. Here, this paper presents results from a collaborative effort within Phase I of the OC7 project. We investigate viscous forces acting on the rectangular members of semisubmersible platforms using high-fidelity computational fluid dynamics (CFD) simulations. The parametric CFD analyses include two-and-a-half-dimensional (2.5D) simulations of pontoon sections of two different semisubmersible platform designs (the VolturnUS-S and the INO WINDMOOR) and full three-dimensional (3D) structure simulations of the VolturnUS-S platform. We extract both the added mass and drag coefficients that are typically used in engineering-level hydrodynamic models from the 2.5D forced oscillation simulations with various Keulegan-Carpenter numbers and compare them to the coefficients from the 3D forced oscillation simulations. We observe consistent variation of the coefficients along the pontoon legs due to 3D platform and free-surface effects. With the breadth of the simulations and component-level detailed analyses, this work establishes a useful database and several empirical formulas for selecting hydrodynamic coefficients when modeling semisubmersible platforms in engineering tools.

13 HYDRO ENERGY↗
DOE OSTI2026

Long-term thermal stability and calibration of Type-II fiber Bragg grating array inscribed in radiation-hardened fibers

This paper investigates the long-term thermal stability of Type-II fiber Bragg grating (FBG) arrays, inscribed by femtosecond laser in radiation-hardened fiber, for potential applications as multiplexed sensors in high-temperature energy systems. The thermal stability of FBG sensors was assessed through 16 thermal cycles from room temperature (RT) to 750 ℃ about two months, involving 100 FBG sensors. The results show that the absolute temperature drift of FBG sensors can be reduced to less than 0.4 pm/day after 54 h thermal annealing process at a constant temperature of 800 ℃. As temperature sensors, the FBGs demonstrated stable performance, achieving a standard deviation (STD) of 1.8 pm (corresponding to a temperature resolution of 0.118 ℃) post-annealing. Repeated thermal cycles revealed a random drift of 2.3 pm in the FBG wavelength at RT. Polynomial fitting was explored as a calibration method to convert FBG wavelength shifts into absolute temperature measurements. By optimizing calibration temperature points (RT, 200 ℃, 400 ℃, and 750 ℃), the study shows that cubic polynomial calibration using four points yields an average R2 of 0.9997 and an RMSE of 3.58 ℃ across the entire temperature range (RT to 750 ℃). This approach represents an 11.53-fold improvement over empirical slope calibration and a 1.34-fold improvement over four-point piecewise fitting. The findings indicate that Type-II FBGs inscribed in radiation-hardened fibers can function as accurate temperature sensors, with performance on par with or exceeding that of thermocouples. With their multiplexing capability, robust signal transmission over long lead cables, and immunity to electromagnetic interference, FBG sensors offer a promising alternative to traditional electronic sensors for energy system monitoring.

Dominguez-Ontiveros, Elvis [ORNL] (ORCID:000000018↗
DOE OSTI2023

On relaxations of the max k -cut problem formulations

Here, a tight continuous relaxation is a crucial factor in solving mixed integer formulations of many NP-hard combinatorial optimization problems. The (weighted) max k-cut problem is a fundamental combinatorial optimization problem with multiple notorious mixed integer optimization formulations. In this paper, we explore four existing mixed integer optimization formulations of the max k-cut problem. Specifically, we show that the continuous relaxation of a binary quadratic optimization formulation of the problem is: (i) stronger than the continuous relaxation of two mixed integer linear optimization formulations and (ii) at least as strong as the continuous relaxation of a mixed integer semidefinite optimization formulation. We also conduct a set of experiments on multiple sets of instances of the max k-cut problem using state-of-the-art solvers that empirically confirm the theoretical results in item (i). Furthermore, these numerical results illustrate the advances in the efficiency of global non-convex quadratic optimization solvers and more general mixed integer nonlinear optimization solvers. As a result, these solvers provide a promising option to solve combinatorial optimization problems. Our codes and data are available on GitHub.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Design-time performance modeling of compositional parallel programs

Performance models are powerful instruments for understanding the performance of parallel systems and uncovering their bottlenecks. Already during system design, performance models can help ponder alternative development options. However, creating a performance model – whether theoretically or empirically – for an entire application that does not exist yet is challenging. In this paper, we propose to generate performance models of full programs from performance models of their components using formal composition operators derived from parallel design patterns. As long as the design of the overall system follows such a pattern, its performance model can be predicted with reasonable accuracy without an actual implementation. In conclusion, we demonstrate our approach with design patterns of varying complexity, including pipeline, task pool, and eventually MapReduce, which is representative of a broad class of data-analytics applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Optimal decision-making in high-throughput virtual screening pipelines

Screening large pools of molecular candidates to identify those with specific design criteria or targeted properties is demanding in various science and engineering domains. While a high-throughput virtual screening (HTVS) pipeline can provide efficient means to achieving this goal, its design and operation often rely on experts' intuition, potentially resulting in suboptimal performance. In this paper, we fill this critical gap by presenting a systematic framework that can maximize the return on computational investment (ROCI) of such HTVS campaigns. Based on various scenarios, we empirically validate the proposed framework and demonstrate its potential to accelerate scientific discoveries through optimal computational campaigns, especially in the context of virtual screening.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Advances and challenges in CO2 foam technologies for enhanced oil recovery in carbonate reservoirs

Utilization of surfactants for generating foam has the potential for fluid-mobility control during CO2 flooding processes, leading to improved oil recovery. This manuscript is a review of the most important aspects for the design of CO2-foams with mobility control in carbonate reservoirs, including recent advances in novel surfactants and analytical techniques for analysis of surfactant adsorption on carbonate minerals and their thermal stability. Several key parameters and properties regarding foam transport in porous media are reviewed such as, the minimum pressure gradient required for foam generation, the effects of the partition coefficient of a CO2-soluble surfactant on foam transport in rock cores, visualization of foam flow by either microfluidic or PET/CT imaging processes in heterogeneous or fractured systems and the effect of oil on foam transport under reservoir conditions. Also are discussed the most recent advances of two major foam modeling methods, including the semi-empirical STARS foam model and the population balance model, as well as CO2 foam pilot tests and the factors governing their successes.

Jian, Guoqing↗
DOE OSTI2021

Nanopore networks in colloidal silica assemblies characterized by XCT for confined fluid flow modeling

Fluid flow through nanopore structures has exhibited different behavior than that described by Darcy's law, derived from pore networks of micrometer scale. Here, pressure assemblies of colloidal silica spheres of specified diameters from 94 to 620 nanometers were prepared as model nano-porous media. The smaller silica spheres tended to form random packing, but some substantial ordering was found in the packing of the larger silica spheres. X-ray computed tomography (XCT), with a voxel resolution of 16 nm, was used to characterize the nanopore networks. The porosity of the Nano-XCT pore network (34%) was less than the total porosity of the assemblies as determined by X-ray attenuation (52%), possibly due to the limits of voxel resolution during segmentation. Fluid flow in the nanopore networks was simulated using the single-phase Lattice Boltzmann Method, and the simulated permeability was compared with the empirical and experimental values. Based on our characterization, although a well-ordered packing of silica spheres was not achieved, it was found that the nanopore networks in the colloidal silica assemblies had pore size distributions corresponding to the particle sizes. The simulated permeability was less than the experimental measurement for water flow, but the complex packing of silica spheres and surface chemistry issues need to be considered in future research.

02 PETROLEUM↗
DOE OSTI2020

Time-series learning of latent-space dynamics for reduced-order model closure

In this work, we study the performance of long short-term memory networks (LSTMs) and neural ordinary differential equations (NODEs) in learning latent-space representations of dynamical equations for an advection-dominated problem given by the viscous Burgers equation. Our formulation is devised in a nonintrusive manner with an equation-free evolution of dynamics in a reduced space with the latter being obtained through a proper orthogonal decomposition. In addition, we leverage the sequential nature of learning for both LSTMs and NODEs to demonstrate their capability for closure in systems that are not completely resolved in the reduced space. We assess our hypothesis for two advection-dominated problems given by the viscous Burgers equation. We observe that both LSTMs and NODEs are able to reproduce the effects of the absent scales for our test cases more effectively than does intrusive dynamics evolution through a Galerkin projection. This result empirically suggests that time-series learning techniques implicitly leverage a memory kernel for coarse-grained system closure as is suggested through the Mori–Zwanzig formalism.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Suppressed electric quadrupole collectivity in 49 Ti

Single-step Coulomb excitation of 46,48,49,50 Ti is presented. A complete set of E2 matrix elements for the quintuplet of states in 49 Ti, centred on the core excitation, was measured for the first time. A total of nine E2 matrix elements are reported, four of which were previously unknown. $^{49}_{22}$Ti 27 shows a 20% quenching in electric quadrupole transition strength as compared to its semi-magic $^{50}_{22}$Ti 28 neighbour. This 20% quenching, while empirically unprecedented, can be explained with a remarkably simple two-state mixing model, which is also consistent with other ground-state properties such as the magnetic dipole moment and electric quadrupole moment. A connection to nucleon transfer data and the quenching of single-particle strength is also demonstrated. The simplicity of the 49 Ti- 50 Ti pair (i.e., approximate single-j 0 7/2 valence space and isolation of yrast states from non-yrast states) provides a unique opportunity to disentangle otherwise competing effects in the ground-state properties of atomic nuclei, the emergence of collectivity, and the role of proton-neutron interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A nonlinear elasto-plastic bond model for the discrete element modeling of woody biomass particles

This work presents an experiment-informed, semi-empirical, elasto-plastic bond model for the discrete element modeling of woody biomass particles. The model renders nonlinear plastic deformation of materials when subjected to compression/tension, bending, and twisting, essential for accurately simulating the behavior of biomass in comminution. The model is implemented in an open-source DEM package LIGGGHTS and is assessed in a number of verification tests. The model is applied to simulate the fracturing test of notched loblolly pine blocks. Reduced bond strength is prescribed to the weak planes along the growth rings. It is found that the square-root formulation for describing the elasto-plastic normal bond contact delivers the best agreement with the experimental data over its linear and quadratic counterparts. Furthermore, the model predicts a strong anisotropic behavior of wood blocks with regard to the grain orientations, indicating that the cutting angle should be an important attribute for the optimization of biomass comminution.

42 ENGINEERING↗