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At least 1,585 records · Page 88

Finite-Field Approach to Solving the Bethe-Salpeter Equation

In this paper, we present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation and the calculation of the screened Coulomb interaction in a finite field. The method does not require either the explicit evaluation of dielectric matrices or of virtual electronic states, and can be easily applied without resorting to the random phase approximation. In addition, it utilizes localized orbitals obtained from Bloch states using bisection techniques, thus greatly reducing the complexity of the calculation and enabling the efficient use of hybrid functionals to obtain single particle wave functions. We report exciton binding energies of several molecules and absorption spectra of condensed systems of unprecedented size, including water and ice samples with hundreds of atoms.

36 MATERIALS SCIENCE↗

Evaluation of turbulence induced noise in coherent anti-Stokes Raman scattering

The effect of turbulence in a transonic wind tunnel on coherent anti-Stokes Raman scattering is considered. The driving pump and Stokes waves are taken to be coaxially propagating Gaussian beam waves which are focused on the Raman active medium through the turbulent boundary layer of the flow tube. The random index of refraction variations in the layer are modeled as phase perturbations of the driving waves which cause a reduction of the mean on-axis field and an increase in the mean diameter of the beams. Effective Gaussian beam parameters are developed and the radiated anti-Stokes power calculated as a function of the phase screen parameters. A significant reduction in signal strength occurs for realistic estimates of the phase screen parameter appropriate to a confined transonic flow. A method for estimating the signal degradation which could be applied to other experimental situations is presented.

Elliott, R. A.↗

The photometric properties of the HST astrometer Fine Guidance Sensor

This paper presents the results of the photometric calibration of the F583W filter in the astrometer Fine Guidance Sensor on the Hubble Space Telescope. Dozens of observations of the 9.58 mag Fine Guidance Sensor (FGS) transfer mode reference star Upgren 69 (in the cluster NGC 188) have been utilized to verify the consistency and demonstrate the temporal stability of the photomultipliers. The measurements which provided the material for a transformation from the FGS instrumental system to the Johnson V magnitude consisted of the extensive position mode observations performed during the Optical Field Angle Distortion calibration. A total of 588 measurements of 92 stars in the galactic cluster M35 were performed. Johnson V band photometry with a precision (i.e., random errors) of plus or minus 0.05 mag is available with an accuracy (i.e., systematic errors) of 0.05 mag over 2 yr.

Bucciarelli, B.↗

Unique Aeolian Transport Mechanisms on Mars: Respective Roles of Percussive and Repercussive Grain Populations in the Sediment Load

Experiments show that when sand-size grains impact a sediment surface with energy levels commensurate for Mars, small craters are formed by the ejection of several hundred grains from the bed. The experiments were conducted with a modified crossbow in which a sand-impelling sabot replaced the bolt-firing mechanism. Individual grains of sand could be fired at loose sand targets to observe ballistic effects unhindered by aerodynamic mobilization of the bed. Impact trajectories simulated the saltation process on dune surfaces. Impact craters were not elongated despite glancing (15 deg.) bed impact; the craters were very close to being circular. High-speed photography showed them to grow in both diameter and depth after the impactor had ricochetted from the crater site. The delayed response of the bed was "explosive" in nature, and created a miniature ejecta curtain spreading upward and outward for many centimeters for impact of 100-300 um-diameter grains into similar material. This behavior is explained by deposition of elastic energy in the bed by the "percussive" grain. Impact creates a subsurface stress regime or "quasi-Boussinesq" compression field. Elastic recovery of the bed occurs by dilatancy; shear stresses suddenly convert the grains to open packing and they consequently become forcefully ejected from the site. Random jostling of the grains causes radial homogenization of stress vectors and a resulting circular crater. A stress model based on repercussive bed dilatancy and interparticle adhesive forces (for smaller grains) predicts, to first order, the observed crater volumes for various impact conditions. On earth, only a few grains are mobilized by a percussive saltating grain; some grains are "knudged" along the ground, and some are partly expelled on short trajectories. These motions constitute reptation transport. On Mars, saltation and reptation become indistinct: secondary or "repercussive" trajectories have sufficient vertical impulse to create a dense saltation population of many tens or hundreds of grains for each single high-speed saltation percussion of the bed. Impact cascading will lead to near-surface distortion of the boundary layer, and choked flow formed by a dense "slurry" of sand, with the majority of grains mobilized by repercussive forces rather than by aerodynamic lift. This proceeds until a fully-matured transport layer imposes self-limitations as grain-population density constrains the free-path motion of individial grains.

Marshall, John R.↗

Unique Aeolian Transport Mechanisms on Mars: Respective Roles of Percussive and Repercussive Grain Populations in the Sediment Load

Experiments show that when sand-size grains impact a sediment surface with energy levels commensurate for Mars, small craters are formed by the ejection of several hundred grains from the bed. The experiments were conducted with a modified crossbow in which a sand-impelling sabot replaced the bolt-firing mechanism. Individual grains of sand could be fired at loose sand targets to observe ballistic effects unhindered by aerodynamic mobilization of the bed. Impact trajectories simulated the saltation process on dune surfaces. Impact craters were not elongated despite glancing (15 deg.) bed impact; the craters were very close to being circular. High-speed photography showed them to grow in both diameter and depth after the impactor had ricochetted from the crater site. The delayed response of the bed was "explosive" in nature, and created a miniature ejecta curtain spreading upward and outward for many centimeters for impact of 100-300 micron-diameter grains into similar material. This behavior is explained by deposition of elastic energy in the bed by the "percussive" grain. Impact creates a subsurface stress regime or "quasi-Boussinesq" compression field. Elastic recovery of the bed occurs by dilatancy; shear stresses suddenly convert the grains to open packing and they consequently become forcefully ejected from the site. Random jostling of the grains causes radial homogenization of stress vectors and a resulting circular crater. A stress model based on repercussive bed dilatancy and interparticle adhesive forces (for smaller grains) predicts, to first order, the observed crater volumes for various impact conditions. On earth, only a few grains are mobilized by a percussive saltating grain; some grains are "knudged" along the ground, and some are partly expelled on short trajectories. These motions constitute reptation transport. On Mars, saltation and reptation become indistinct: secondary or "repercussive" trajectories have sufficient vertical impulse to create a dense saltation population of many tens or hundreds of grains for each single high-speed saltation percussion of the bed. Impact cascading will lead to near-surface distortion of the boundary layer, and choked flow formed by a dense "slurry" of sand, with the majority of grains mobilized by repercussive forces rather than by aerodynamic lift. This proceeds until a fully-matured transport layer imposes self- limitations as grain-population density constrains the free-path motion of individual grains.

Marshall, John R.↗

The Three-Dimensional Combustion of Heterogeneous Propellants

A numerical framework is described which permits the calculation of the 3-D combustion field supported by a heterogeneous propellant, allowing for complete coupling between the condensed phase physics, the gas-phase physics, and the unsteady, uneven, regressing surface. A random packing algorithm is used to construct models of ammonium-perchlorate in hydroxyl-terminated-polybutadiene propellants which mimic experimental propellants designed by R. Miller, and these are numerically burnt. Mean burning rates are compared with experimental data for four packs, over a pressure range of 7-200atm.

Massa, L.↗

Single-Event Effects Test Report Lattice Semiconductor, LCMXO3D-9400HC-5BG484I Field Programmable Gate Array

The purpose of this test was to characterize single event effects (SEE) in the LCMXO3D-9400HC-5BG484I, a low power and low density field programmable gate array (FPGA). The SEE concerns for the device that were investigated in this testing are single event upsets (SEUs) in the configuration static random-access memory (SRAM), SEUs in the FPGA fabric, single event latch up (SEL), and single event functional interrupts (SEFIs). Testing was conducted at Lawrence Berkeley National Laboratory (LBNL) on August 26th, 2024 and August 28th, 2024.

Adia M Wood↗

Conditional Karhunen-Loève expansion for uncertainty quantification and active learning in partial differential equation models

We use a conditional Karhunen-Lo` eve (KL) model to quantify and reduce uncertainty in a stochastic partial differential equation (SPDE) problem with partially-known space-dependent coefficient, Y (x). We assume that a small number of Y (x) measurements are available and model Y (x) with a KL expansion. We achieve reduction in uncertainty by conditioning the KL expansion coefficients on measurements. We consider two approaches for conditioning the KL expansion: In Approach 1, we condition the KL model first and then truncate it. In Approach 2, we first truncate the KL expansion and then condition it. We employ the conditional KL expansion together with Monte Carlo and sparse grid collocation methods to compute the moments of the solution of the SPDE problem. Uncertainty of the problem is further reduced by adaptively selecting additional observation locations using two active learning methods. Method 1 minimizes the variance of the PDE coefficient, while Method 2 minimizes the variance of the solution of the PDE. We demonstrate that conditioning leads to dimension reduction of the KL representation of Y (x). For a linear diffusion SPDE with uncertain log-normal coefficient, we show that Approach 1 provides a more accurate approximation of the conditional log-normal coefficient and solution of the SPDE than Approach 2 for the same number of random dimensions in a conditional KL expansion. Furthermore, Approach 2 provides a good estimate for the number of terms of the truncated KL expansion of the conditional field of Approach 1. Finally, we demonstrate that active learning based on Method 2 is more efficient for uncertainty reduction in the SPDE’s states (i.e., it leads to a larger reduction of the variance) than active learning using Method 2.

Conditioned Karhunen-Lo` eve expanion, machine lea↗

THE TURBULENT ORIGIN OF OUTFLOW AND SPIN MISALIGNMENT IN MULTIPLE STAR SYSTEMS

The protostellar outflows of wide-separation forming binaries frequently appear misaligned. We use magneto-hydrodynamic simulations to investigate the alignment of protostellar spin and molecular outflows for forming binary pairs. We show that the protostellar pairs, which form from turbulent fragmentation within a single parent core, have randomly oriented angular momentum. Although the pairs migrate to closer separations, their spins remain partially misaligned. We produce {sup 12}CO(2-1) synthetic observations of the simulations and characterize the outflow orientation in the emission maps. The CO-identified outflows exhibit a similar random distribution and are also statistically consistent with the observed distribution of molecular outflows. We conclude that the observed misalignment provides a clear signature of binary formation via turbulent fragmentation. The persistence of misaligned outflows and stellar spins following dynamical evolution may provide a signature of binary origins for more evolved multiple star systems.

79 ASTRONOMY AND ASTROPHYSICS↗

The Random Ray Method for neutral particle transport

A new approach to solving partial differential equations (PDEs) based on the method of characteristics (MOC) is presented. The Random Ray Method (TRRM) uses a stochastic rather than deterministic discretization of characteristic tracks to integrate the phase space of a problem. TRRM is potentially applicable in a number of transport simulation fields where long characteristic methods are used, such as neutron transport and gamma ray transport in reactor physics as well as radiative transfer in astrophysics. In this study, TRRM is developed and then tested on a series of exemplar reactor physics benchmark problems. The results show extreme improvements in memory efficiency compared to deterministic MOC methods, while also reducing algorithmic complexity, allowing for a sparser computational grid to be used while maintaining accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evolution of Optical Diffraction Patterns on Disordered Woodpile Photonic Structures

Using three-dimensional direct laser writing, ordered and disordered photonic woodpile structures have been produced. An ideal woodpile is formed by layers of parallel “logs” turned through 90° with respect to logs of the previous layer. The disorder was specified by a random deviation in the angle with respect to their parallel arrangement in each layer of the woodpile. The quality of samples was tested by scanning electron microscopy. The optical diffraction patterns were studied experimentally on microsamples with different degrees of disorder and structure periods. With an increase in the degree of the disorder, the diffraction patterns changed qualitatively with the preservation of the zero diffraction order and formation of a speckle field pattern by higher diffraction orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strong pinning and slow flux creep relaxation in Co-doped CaFe 2 As 2 single crystals

In this paper we report on measurements of critical current densities J c and flux creep rates S of freestanding Ca(Fe 1–x Co x ) 2 As 2 (x ≈ 0.033) single crystals with T c ≈ 15.7 K by performing magnetization measurements. The magnetic field dependences of J c at low temperature display features related to strong pinning. In addition, we find that the system displays small flux creep rates. The characteristic glassy exponent, μ, and the pinning energy, U 0 , display exceptional high values for pristine crystals. We find that for magnetic fields between 0.3 T and 1 T, μ decreases from ≈ 2.8 to ≈ 2 and U 0 remains ≈ 300 K. Analysis of the pinning force indicates that the mechanism is similar to the observed in polycrystalline systems in which grain boundaries and random disorder produce the vortex pinning. Considering the large U 0 observed in the single crystal, we attempt to improve the pinning by adding random point disorder by 3 MeV proton irradiation with a fluence of 2 × 10 16 proton/cm 2 . The results show that, unlike other iron-based superconductors, the superconducting fraction is sharply reduced by irradiation. This fact indicates that the superconductivity in the system is extremely fragile to an increment in the disorder. The superconducting volume fraction in the irradiated crystal systematically recovers after removal disorder by thermal annealing, which evidences as to the observation of critical state in curves of magnetization versus magnetic field. No features related to a reentrant antiferromagnetic transition are observed for the irradiated sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Non-random distribution of DNA double-strand breaks induced by particle irradiation

Induction of DNA double-strand breaks (dsbs) in mammalian cells is dependent on the spatial distribution of energy deposition from the ionizing radiation. For high LET particle radiations the primary ionization sites occur in a correlated manner along the track of the particles, while for X-rays these sites are much more randomly distributed throughout the volume of the cell. It can therefore be expected that the distribution of dsbs linearly along the DNA molecule also varies with the type of radiation and the ionization density. Using pulsed-field gel and conventional gel techniques, we measured the size distribution of DNA molecules from irradiated human fibroblasts in the total range of 0.1 kbp-10 Mbp for X-rays and high LET particles (N ions, 97 keV/microns and Fe ions, 150 keV/microns). On a mega base pair scale we applied conventional pulsed-field gel electrophoresis techniques such as measurement of the fraction of DNA released from the well (FAR) and measurement of breakage within a specific NotI restriction fragment (hybridization assay). The induction rate for widely spaced breaks was found to decrease with LET. However, when the entire distribution of radiation-induced fragments was analysed, we detected an excess of fragments with sizes below about 200 kbp for the particles compared with X-irradiation. X-rays are thus more effective than high LET radiations in producing large DNA fragments but less effective in the production of smaller fragments. We determined the total induction rate of dsbs for the three radiations based on a quantitative analysis of all the measured radiation-induced fragments and found that the high LET particles were more efficient than X-rays at inducing dsbs, indicating an increasing total efficiency with LET. Conventional assays that are based only on the measurement of large fragments are therefore misleading when determining total dsb induction rates of high LET particles. The possible biological significance of this non-randomness for dsb induction is discussed.

NASA Discipline Radiation Health↗

4D ML reconstruction as a tool for volumetric PET-based treatment verification in ion beam radiotherapy

Purpose: An innovative strategy to improve the sensitivity of positron emission tomography (PET)-based treatment verification in ion beam radiotherapy is proposed. Methods: Low counting statistics PET images acquired during or shortly after the treatment (Measured PET) and a Monte Carlo estimate of the same PET images derived from the treatment plan (Expected PET) are considered as two frames of a 4D dataset. A 4D maximum likelihood reconstruction strategy was adapted to iteratively estimate the annihilation events distribution in a reference frame and the deformation motion fields that map it in the Expected PET and Measured PET frames. The outputs generated by the proposed strategy are as follows: (1) an estimate of the Measured PET with an image quality comparable to the Expected PET and (2) an estimate of the motion field mapping Expected PET to Measured PET. The details of the algorithm are presented and the strategy is preliminarily tested on analytically simulated datasets. Results: The algorithm demonstrates (1) robustness against noise, even in the worst conditions where 1.5 × 10{sup 4} true coincidences and a random fraction of 73% are simulated; (2) a proper sensitivity to different kind and grade of mismatches ranging between 1 and 10 mm; (3) robustness against bias due to incorrect washout modeling in the Monte Carlo simulation up to 1/3 of the original signal amplitude; and (4) an ability to describe the mismatch even in presence of complex annihilation distributions such as those induced by two perpendicular superimposed ion fields. Conclusions: The promising results obtained in this work suggest the applicability of the method as a quantification tool for PET-based treatment verification in ion beam radiotherapy. An extensive assessment of the proposed strategy on real treatment verification data is planned.

61 RADIATION PROTECTION AND DOSIMETRY↗

Modeling quasielastic interactions of monoenergetic kaon decay-at-rest neutrinos

Monoenergetic muon neutrinos at 236 MeV are readily produced in intense medium-energy proton facilities (≳2–3GeV) when a positive kaon decays at rest (KDAR; K + →μ + ν μ ). These neutrinos provide a unique opportunity to both study the neutrino interaction and probe the nucleus with a monoenergetic weak-interaction-only tool. We present cross-section calculations for quasielastic scattering of these 236-MeV neutrinos off 12 C and 40 Ar, paying special attention to low-energy aspects of the scattering process. Our model takes the description of the nucleus in a mean-field approach as the starting point, where we solve Hartree-Fock equations using a Skyrme type nucleon-nucleon interaction. Thereby, we introduce long-range nuclear correlations by means of a continuum random-phase approximation (CRPA) framework where we solve the CRPA equations using a Green's function method. The model successfully describes (e,e') data on 12 C and 40 Ca in the kinematic region that overlaps with the KDAR ν μ phase space. In addition to these results, we present future prospects for precision KDAR cross-section measurements and applications of our calculations in current and future experiments that will utilize these neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Entropy Analysis of FPGA Interconnect and Switch Matrices for Physical Unclonable Functions

Random variations in microelectronic circuit structures represent the source of entropy for physical unclonable functions (PUFs). In this paper, we investigate delay variations that occur through the routing network and switch matrices of a field-programmable gate array (FPGA). The delay variations are isolated from other components of the programmable logic, e.g., look-up tables (LUTs), flip-flops (FFs), etc., using a feature of Xilinx FPGAs called dynamic partial reconfiguration (DPR). A set of partial designs is created to fix the placement of a time-to-digital converter (TDC) and supporting infrastructure to enable the path delays through the target interconnect and switch matrices to be extracted by subtracting out common-mode delay components. Delay variations are analyzed in the different levels of routing resources available within FPGAs, i.e., local routing and across-chip routing. Data are collected from a set of Xilinx Zynq 7010 devices, and a statistical analysis of within-die variations in delay through a set of the randomly-generated and hand-crafted interconnects is presented.

97 MATHEMATICS AND COMPUTING↗

A review of crack propagation under unsteady loading

The theories and research current available on crack propagation under unsteady loadings, especially those of acoustic origin, are reviewed. Since the original theories on fatigue failure did not account for random loading conditions, modified theories which provide statistical methods for evaluating the random loading have emerged. The impact of acoustic fatigue in the aerospace industry, basic principles such as fatigue crack initiation and propagation and load interactions, and testing procedures are discussed. Attention is also given to metal and metal alloy structures, fiber-reinforced composites and nonmetallic structures, short crack growth, and the effects of temperature, moisture, and corrosion on structures. Suggestions for future research in this field are presented, namely, studies on the effect of 'snap-through' response and associated crack growth patterns, studies in microcrack and 'small crack'; propagation under unsteady loading conditions, and the development of an accurate analytical model to predict acceleration and retardation effects in fatigue crack growth under random loading conditions.

Bryan, H. H.↗

Creep anisotropy modeling and uncertainty quantification of an additively manufactured Ni-based superalloy

The advantages offered by additive manufacturing over traditional processes has driven a great deal of industrial and academic interest in recent years. However, the process is relatively new and requires additional investigation to become sufficiently mature for wide scale industrial adoption. Electron beam melting powder bed fusion is one technology that has shown promise for fabricating high temperature resistant materials such as nickel based superalloys. The resulting microstructures typically exhibit a strong fiber texture in the build direction giving rise to anisotropic time-dependent deformation behavior. In order to accelerate the qualification of these materials for industrial adoption accurate numerical models are needed for simulating their behavior. In this work a crystal plasticity model including non-Schmid effects is presented for capturing creep anisotropy observed in additively manufactured IN738LC. The model is calibrated via a probabilistic framework where model parameters are treated as random variables. An iterative sequential design strategy is utilized to efficiently identify the probability density of the unknown model parameters. As a case study the model is utilized to investigate the behavior of randomly oriented equiaxed grain clusters sometimes observed embedded in the additively manufactured columnar structure. A synthetic realization is simulated and uncertainty is propagated through to the full-field response. Results indicate that these features are the source of significant creep relaxation and strain accumulation which partially explains observed grain boundary decohesion at these locations.

36 MATERIALS SCIENCE↗