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At least 685 records · Page 38

Neutron imaging with lithium indium diselenide: Surface properties, spatial resolution, and computed tomography

An array of lithium indium diselenide (LISe) scintillators were investigated for application in neutron imaging. The sensors, varying in thickness and surface roughness, were tested using both reflective and anti-reflective mounting to the aluminum window. The spatial resolution of each LISe scintillator was calculated using the knife-edge test and a modulation transfer function analysis. It was found that the anti-reflective backing yielded a significantly higher spatial resolution over the reflective backing, and in most cases far exceeded the spatial resolution of a 50 μm-thick ZnS(Cu): 6 LiF scintillation screen. Further, an apparent relationship between the observed increase in spatial resolution when using an anti-reflective backing and the quotient of the surface roughness to the thickness of the LISe scintillator was observed. Lastly, the LISe scintillator array was used in neutron computational tomography to investigate the features of halyomorpha halys.

36 MATERIALS SCIENCE↗

Advanced Computing Annual Report 2025 [Slides]

In Fiscal Year (FY) 2025, the National Laboratory of the Rockies (NLR) continued to advance computing as a cornerstone of energy innovation, expanding the Kestrel high-performance computing (HPC) system to 56 peak petaflops. This growth strengthened Kestrel's role as a national asset for applied energy research, enabling larger, more complex simulations and accelerating the integration of artificial intelligence (AI) methods across the laboratory's computing portfolio. In FY 2025, AI was a component of most projects running on Kestrel, underscoring its central role in modern energy science and engineering. Kestrel supported a broad and diverse set of 507 modeling and simulation projects, engaging 855 researchers across the U.S. Department of Energy's (DOE's) Office of Critical Minerals and Energy Innovation (CMEI) portfolio and other offices, as well as partners from industry, academia, and utilities. These efforts span critical materials discovery, energy systems modeling, grid modernization, advanced manufacturing, and other areas essential to strengthening U.S. energy security and competitiveness. Together, these collaborations produced 708 technical outputs, including 293 peer-reviewed publications, reflecting both the depth and impact of the science enabled by NLR's computing capabilities. This year's report highlights the growing importance and benefit of AI throughout NLR's research programs and features work by early career researchers who are helping shape the future of computing-enabled energy innovation. Explore these sections and the many project successes captured in the pages that follow.

97 MATHEMATICS AND COMPUTING↗

Geometric-optical bidirectional reflectance modeling of a conifer forest canopy

A geometric-optical forest canopy model that treats conifers as cones casting shadows on a contrasting background explains the major anisotropies in bidirectional reflectance measurements of a conifer forest canopy. The model uses parallel-ray geometry to describe the illumination and viewing of conifers as three-dimensional cones. Both computer simulation and analytical closed-form expressions are implemented. The results show a good qualitative agreement with the directional reflectance measurements of the conifer stand, indicating that the three-dimensional nature of the canopy is a key factor in determining its directional reflectance.

Li, X.↗

Mapping of hydrothermal alternation zones and regional rock types using computer enhanced ERTS MSS images

A combination of digital computer processing and color compositing of ERTS MSS images has been used to map hydrothermal alternation zones and regional rock types in south-central Nevada. The technique is based on enhancement of subtle visible and near infrared reflectivity differences between mineralogically dissimilar rocks, especially unaltered and altered rocks. MSS spectral bands are ratioed, pixel by pixel, in the computer and subsequently stretched. These ratio values are used to produce a new black and white image which shows the subtle spectral reflectivity differences. Additional enhancement is achieved by preparing color composites of two or more stretched ratio images. The choice of MSS bands for rationing depends on the spectral reflectance properties of the rocks to be discriminated. Although this technique is in the initial stage of development and is untested in other areas, it already appears to have considerable potential for targeting mineral prospects and for regional geologic mapping.

Rowan, L. C.↗

Variational Nodal 2D/1D Transport/Diffusion Solutions of the C5G7 Benchmark Problems

This work is the continuation of our effort to generalize the variational nodal method (VNM) for application to pin resolved whole-core PWR problems. To this end, a 2D/1D VNM method without spatial homogenization is formulated and implemented in the PANX code. We employ diffusion theory in the axial direction combined with two-dimensional transport in the x-y plane. In our initial work, we employed the standard spherical harmonics method. To increase accuracy and reduce computational effort, we present two refinements: First, the even-parity integral method within the nodes reduces the computational effort required to form the response matrices. Second, the use of quasi-reflected interface conditions reduces the dimension of the resulting response matrices and therefore the CPU time required to solve the equations. We apply the method to the three-dimensional, unrodded C5G7 benchmark problem.

97 MATHEMATICS AND COMPUTING↗

Attitude identification for SCOLE using two infrared cameras

An algorithm is presented that incorporates real time data from two infrared cameras and computes the attitude parameters of the Spacecraft COntrol Lab Experiment (SCOLE), a lab apparatus representing an offset feed antenna attached to the Space Shuttle by a flexible mast. The algorithm uses camera position data of three miniature light emitting diodes (LEDs), mounted on the SCOLE platform, permitting arbitrary camera placement and an on-line attitude extraction. The continuous nature of the algorithm allows identification of the placement of the two cameras with respect to some initial position of the three reference LEDs, followed by on-line six degrees of freedom attitude tracking, regardless of the attitude time history. A description is provided of the algorithm in the camera identification mode as well as the mode of target tracking. Experimental data from a reduced size SCOLE-like lab model, reflecting the performance of the camera identification and the tracking processes, are presented. Computer code for camera placement identification and SCOLE attitude tracking is listed.

Shenhar, Joram↗

The changing nature of spacecraft operations: From the Vikings of the 1970's to the great observatories of the 1990's and beyond

Four trends in spacecraft flight operations are discussed which will reduce overall program costs. These trends are the use of high-speed, highly reliable data communications systems for distributing operations functions to more convenient and cost-effective sites; the improved capability for remote operation of sensors; a continued rapid increase in memory and processing speed of flight qualified computer chips; and increasingly capable ground-based hardware and software systems, notably those augmented by artificial intelligence functions. Changes reflected by these trends are reviewed starting from the NASA Viking missions of the early 70s, when mission control was conducted at one location using expensive and cumbersome mainframe computers and communications equipment. In the 1980s, powerful desktop computers and modems enabled the Magellan project team to operate the spacecraft remotely. In the 1990s, the Hubble Space Telescope project uses multiple color screens and automated sequencing software on small computers. Given a projection of current capabilities, future control centers will be even more cost-effective.

Ledbetter, Kenneth W.↗

Three-dimensional inviscid analysis of radial turbine flow and a limited comparison with experimental data

The three-dimensional inviscid DENTON code is used to analyze flow through a radial-inflow turbine rotor. Experimental data from the rotor are compared with analytical results obtained by using the code. The experimental data available for comparison are the radial distributions of circumferentially averaged values of absolute flow angle and total pressure downstream of the rotor exit. The computed rotor-exit flow angles are generally underturned relative to the experimental values, which reflect the boundary-layer separation at the trailing edge and the development of wakes downstream of the rotor. The experimental rotor is designed for a higher-than-optimum work factor of 1.126 resulting in a nonoptimum positive incidence and causing a region of rapid flow adjustment and large velocity gradients. For this experimental rotor, the computed radial distribution of rotor-exit to turbine-inlet total pressure ratios are underpredicted due to the errors in the finite-difference approximations in the regions of rapid flow adjustment, and due to using the relatively coarser grids in the middle of the blade region where the flow passage is highly three-dimensional. Additional results obtained from the three-dimensional inviscid computation are also presented, but without comparison due to the lack of experimental data. These include quasi-secondary velocity vectors on cross-channel surfaces, velocity components on the meridional and blade-to-blade surfaces, and blade surface loading diagrams. Computed results show the evolution of a passage vortex and large streamline deviations from the computational streamwise grid lines. Experience gained from applying the code to a radial turbine geometry is also discussed.

Choo, Y. K.↗

Three-dimensional inviscid analysis of radial-turbine flow and a limited comparison with experimental data

The three-dimensional inviscid DENTON code is used to analyze flow through a radial-inflow turbine rotor. Experimental data from the rotor are compared with analytical results obtained by using the code. The experimental data available for comparison are the radial distributions of circumferentially averaged values of absolute flow angle and total pressure downstream of the rotor exit. The computed rotor-exit flow angles are generally underturned relative to the experimental values, which reflect the boundary-layer separation at the trailing edge and the development of wakes downstream of the rotor. The experimental rotor is designed for a higher-than-optimum work factor of 1.126 resulting in a nonoptimum positive incidence and causing a region of rapid flow adjustment and large velocity gradients. For this experimental rotor, the computed radial distribution of rotor-exit to turbine-inlet total pressure ratios are underpredicted due to the errors in the finite-difference approximations in the regions of rapid flow adjustment, and due to using the relatively coarser grids in the middle of the blade region where the flow passage is highly three-dimensional. Additional results obtained from the three-dimensional inviscid computation are also presented, but without comparison due to the lack of experimental data. These include quasi-secondary velocity vectors on cross-channel surfaces, velocity components on the meridional and blade-to-blade surfaces, and blade surface loading diagrams. Computed results show the evolution of a passage vortex and large streamline deviations from the computational streamwise grid lines. Experience gained from applying the code to a radial turbine geometry is also discussed.

Choo, Y. K.↗

The environmental heat flux routine, version 4 (EHFR-4) and Multiple Reflections Routine (MRR), volume 1

The environmental heat flux routine version 4, (EHFR-4) is a generalized computer program which calculates the steady state and/or transient thermal environments experienced by a space system during lunar surface, deep space, or thermal vacuum chamber operation. The specific environments possible for EHFR analysis include: lunar plain, lunar crater, combined lunar plain and crater, lunar plain in the region of spacecraft surfaces, intervehicular, deep space in the region of spacecraft surfaces, and thermal vacuum chamber generation. The EHFR was used for Extra Vehicular Mobility Unit environment analysis of the Apollo 11-17 missions, EMU manned and unmanned thermal vacuum qualification testing, and EMU-LRV interface environmental analyses.

Dietz, J. B.↗

Microgravity and Charge Transfer in the Neuronal Membrane: Implications for Computational Neurobiology

Evidence from natural and artificial membranes indicates that the neural membrane is a liquid crystal. A liquid-to-gel phase transition caused by the application of superposed electromagnetic fields to the outer membrane surface releases spin-correlated electron pairs which propagate through a charge transfer complex. The propagation generates Rydberg atoms in the lipid bilayer lattice. In the present model, charge density configurations in promoted orbitals interact as cellular automata and perform computations in Hilbert space. Due to the small binding energies of promoted orbitals, their automata are highly sensitive to microgravitational perturbations. It is proposed that spacetime is classical on the Rydberg scale, but formed of contiguous moving segments, each of which displays topological equivalence. This stochasticity is reflected in randomized Riemannian tensor values. Spacetime segments interact with charge automata as components of a computational process. At the termination of the algorithm, an orbital of high probability density is embedded in a more stabilized microscopic spacetime. This state permits the opening of an ion channel and the conversion of a quantum algorithm into a macroscopic frequency code.

Wallace, Ron↗

Optimal Portfolio Selection Under Concave Price Impact

In this paper we study an optimal portfolio selection problem under instantaneous price impact. Based on some empirical analysis in the literature, we model such impact as a concave function of the trading size when the trading size is small. The price impact can be thought of as either a liquidity cost or a transaction cost, but the concavity nature of the cost leads to some fundamental difference from those in the existing literature. We show that the problem can be reduced to an impulse control problem, but without fixed cost, and that the value function is a viscosity solution to a special type of Quasi-Variational Inequality (QVI). We also prove directly (without using the solution to the QVI) that the optimal strategy exists and more importantly, despite the absence of a fixed cost, it is still in a 'piecewise constant' form, reflecting a more practical perspective.

97 MATHEMATICS AND COMPUTING↗

Hierarchical deep reinforcement learning reveals a modular mechanism of cell movement

Time-lapse images of cells and tissues contain rich information about dynamic cell behaviours, which reflect the underlying processes of proliferation, differentiation and morphogenesis. However, we lack computational tools for effective inference. Here we exploit deep reinforcement learning (DRL) to infer cell–cell interactions and collective cell behaviours in tissue morphogenesis from three-dimensional (3D) time-lapse images. We use hierarchical DRL (HDRL), known for multiscale learning and data efficiency, to examine cell migrations based on images with a ubiquitous nuclear label and simple rules formulated from empirical statistics of the images. When applied to Caenorhabditis elegans embryogenesis, HDRL reveals a multiphase, modular organization of cell movement. Imaging with additional cellular markers confirms the modular organization as a novel migration mechanism, which we term sequential rosettes. Furthermore, HDRL forms a transferable model that successfully differentiates sequential rosettes-based migration from others. Our study demonstrates a powerful approach to infer the underlying biology from time-lapse imaging without prior knowledge.

59 BASIC BIOLOGICAL SCIENCES↗

Study of the Effective Refractive Index Profile in Self-Assembling Nanostructured ITO Films

The optical characteristics and structural features of self-assembling nanostructured indium–tin oxide (ITO) films deposited onto substrates heated above 400°C are studied. Estimations of the distribution profiles of the material and effective refractive index in the films under study are obtained by computer simulation of a medium having spectral dependences of light transmission and reflection coefficients closest to those observed in the experiment. These results are in good agreement with scanning electron microscopy data for these films and make it possible to not only confirm the gradient character of such coatings but also restore some of its features. The further overgrowth of voids in self-assembling nanostructured films by means of the deposition of an additional material amount by magnetron sputtering at room temperature leads to a variation in the effective refractive index profile in them. Thus, it is possible to form transparent conductive films with an efficient refractive index profile adjusted for specific tasks. Adjustment of the refractive index profile in self-assembled ITO films acquires a special value for designing coatings with specified properties by virtue of a limited set of transparent conductive materials.

36 MATERIALS SCIENCE↗

Anisotropic Thermal Expansion of Zirconium Diboride: An Energy-Dispersive X-Ray Diffraction Study

Zirconium diboride (ZrB 2 ) is an attractive material due to its thermal and electrical properties. In recent years, ZrB 2 has been investigated as a superior replacement for sapphire when used as a substrate for gallium nitride devices. Like sapphire, ZrB 2 has an anisotropic hexagonal structure which defines its directionally dependent properties. However, the anisotropic behavior of ZrB 2 is not well understood. In this paper, we use energy-dispersive synchrotron X-ray diffraction to measure the thermal expansion of polycrystalline ZrB 2 powder from 300 to 1150 K. Nine Bragg reflections are fit using Pseudo-Voigt peak profiles and used to compute the a and c lattice parameters using a nonlinear least-squares approximation. The temperature-dependent instantaneous thermal expansion coefficients are determined for each a -axis and c -axis direction and are described by the following equations: α a = ( 4.1507 × 10 - 6 + 5.1086 × 10 - 9 ( T - 293.15 ) )/( 1 + 4.1507 × 10 - 6 ( T - 293.15 ) + 2.5543 × 10 - 9 ( T - 293.15 ) 2 ) and α c = ( 4.5374 × 10 - 6 + 4.3004 × 10 - 9 ( T - 293.15 ) )/( 1 + 4.5374 × 10 - 6 ( T - 293.15 ) + 2.1502 × 10 - 9 ( T - 293.15 ) 2 ). Our results are within range of previously reported values but describe the temperature anisotropy in more detail. We show that anisotropic expansion coefficients converge to the same value at about 780 K and diverge at higher temperatures. Results are compared with other reported values.

36 MATERIALS SCIENCE↗

Scattering of Radio Frequency Waves by Density Filaments

The edge region and the scrape-off layer of magnetically confined fusion devices, like tokamaks and stellarators, are replete with turbulent plasma that is a mixture of coherent, blob or filament like, structures [1] and incoherent fluctuations [2]. The variation in the density due to turbulence can be comparable to or greater than the ambient density [2]. As part of an overall effort to optimize the efficiency of operation, radio frequency (RF) waves are commonly used for heating fusion plasmas and, in tokamaks, for generating plasma current needed for confinement and controlling instabilities. The RF waves are excited by antenna structures that are placed near the wall of a fusion device. In order to deliver energy and momentum to charged particles in the core of fusion plasmas, RF waves have to propagate through the turbulent plasma. In present fusion devices, the scrap-off layer and the edge plasma region is of the order of a few centimeters. In reactor type devices, like ITER, this region is expected to be of the order of tens of centimeters. Since the efficiency of operation of a fusion reactor is of prime importance, it is imperative that we understand the effect of turbulence on RF waves. The fluctuations in density lead to changes in the plasma permittivity. As in conventional electrodynamics, the propagation of RF waves through different dielectric media is subject to reflection, refraction, and diffraction. In this paper, we summarize our theoretical and computational studies on the propagation of RF waves through filamentary structures present in the scrape-off layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SSME structural computer program development. Volume 3: BOPACE demonstration analysis of the SSME thrust chamber liner

The application of a structural computer program for analysis of a thrust chamber liner is discussed. Two objectives were accomplished as follows: (1) exercise of the full capabilities of the computer program and (2) definition of thermal and mechanical boundary conditions to reflect the emergency power level operating conditions for the SSME 47OK engine at a station just upstream of the thrust chamber throat. Creep information on the thrust chamber is presented as a reference curve of creep strain versus time for various temperatures. Contour plots of the effective plastic strain, effective stress, and effective creep strain are developed.

Spring, A. H.↗

Experimental study of shock-wave reflection from a thermally accommodating wall.

Shock-tube experiments have been conducted to study the nonequilibrium gas-surface interaction which occurs when a thick shock wave in argon reflects from a coplanar, heat-conducting wall. Fast-response instrumentation was used to monitor variations in temperature and normal stress on the surface of the shock-tube end wall during and immediately following reflection of the incident shock wave. The laboratory observations are compared with computer predictions obtained by Deiwert using the direct-simulation Monte Carlo method, and excellent agreement is obtained when a suitable average thermal accommodation coefficient is chosen for the wall surface.

Hanson, R. K.↗