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At least 505 records · Page 28

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DOE OSTI2024

Low and moderate x gluon contribution to exclusive Compton scattering processes

We revisit the high energy semi-classical description of the exclusive processes DVCS, TCS, and Double DVCS by explicitly keeping track of the Feynman x dependence in both the hard and the hadronic matrix elements. This is achieved by a modification of the standard shock wave approximation to derive the effective Feynman rules, which leads to a generic expression on which we then perform a partial twist expansion to get rid of quantities suppressed by the proper physical scales. We obtain a compact factorized master formula that can be used to investigate the Bjorken limit at leading twist. In particular, we recover the full one-loop result in the collinear limit for pure gluon exchange with the target. Finally, we discuss the subtleties in taking the simultaneous collinear and small x limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity

Here we characterize the role of coherent nanoscale B2 Ni 50 Al 50 precipitates on the temperature- and stress-induced martensitic phase transformation in nanocrystalline Ni 63 Al 37 shape memory alloys using multi-million-atoms molecular dynamics (MD) simulations. We studied two types of precipitates: one with single crystal precipitates (SXP) and a second where grain boundaries cut through precipitates (PXP). Simulations reveal that the presence of B2 precipitates stabilizes the cyclic flag-shaped stress-strain response, characteristic of superelasticity, and reduces remnant strain. In contrast, single-phase nanocrystalline Ni 63 Al 37 exhibits degradation of the reverse transformation during cyclic loading and, eventually, incomplete reversible transformation within a few cycles. This is consistent with previous experimental findings of ultra-low fatigue in Ni-Ti-Cu alloys with Ti 2 Cu precipitates. The simulations reveal that the presence of precipitates significantly improves the reversibility of the transformation by acting as elastic zones that partially shield the martensitic transformation and drive the reverse transformation. A detailed analysis of the MD trajectories reveals that the martensitic transformation of the matrix induces ultra-large elastic deformation in some of the B2 precipitates (approximately 12%) to the point of resulting in a martensite-like atomic structure.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Direct ink writing of shear exfoliated two-dimensional nanomaterial- elastomeric multifunctional nanocomposite

Direct ink writing (DIW) of polymer nanocomposites with high loadings of two-dimensional (2D) nanofillers (graphene and hexagonal boron nitride (hBN)) is challenging because of potential clogging, use of hazardous solvents, and agglomeration. Here, in this work, a shear exfoliation and sieving method to prepare DIW ink with high loading of nanofillers produced from low-cost bulk layered materials such as graphite and bulk hBN powder for successful DIW printing without the use of any solvents, binders, or plasticizers. The single-step exfoliation technique resulted in a composite with substantial layer reduction along the c-axis, as confirmed by SEM, TEM, XRD, and Raman analysis. Incorporating exfoliated graphene (40 wt%) increased viscosity by ∼6 orders of magnitude due to enhanced particle–matrix interactions, leading to pronounced yield stress behavior and a yield stress of approximately 1598 Pa, which enabled excellent shape retention during extrusion. Using the DIW technique, porous structures such as desalination membranes, self-sensing bone scaffolds, thermal management coating, and serpentine strain sensors were fabricated. When tested in a direct contact membrane distillation setup, the fabricated membrane demonstrated a promising permeate flux of 21.85 Lm −2 h −1 and a salt rejection of 74.3 %. The fabricated serpentine sensor exhibited stable signal variations under cyclic tensile loading, with a working range of 0–200 % strain and a maximum gauge factor of 43,735. A cell culture test using the printed bone scaffold demonstrated promising cell attachment and proliferation. The DIW printed hBN nanocomposite exhibited reversible shape change under heat, demonstrating potential 4D printing capability and efficient thermal management when exposed to high heat or flame.

Desalination↗

DOE OSTI2022

CRISPR-based engineering of phages for in situ bacterial base editing

Investigation of microbial gene function is essential to the elucidation of ecological roles and complex genetic interactions that take place in microbial communities. While microbiome studies have increased in prevalence, the lack of viable in situ editing strategies impedes experimental progress, rendering genetic knowledge and manipulation of microbial communities largely inaccessible. Here, we demonstrate the utility of phage-delivered CRISPR-Cas payloads to perform targeted genetic manipulation within a community context, deploying a fabricated ecosystem (EcoFAB) as an analog for the soil microbiome. First, we detail the engineering of two classical phages for community editing using recombination to replace nonessential genes through Cas9-based selection. We show efficient engineering of T7, then demonstrate the expression of antibiotic resistance and fluorescent genes from an engineered λ prophage within an Escherichia coli host. Next, we modify λ to express an APOBEC-1-based cytosine base editor (CBE), which we leverage to perform C-to-T point mutations guided by a modified Cas9 containing only a single active nucleolytic domain (nCas9). We strategically introduce these base substitutions to create premature stop codons in-frame, inactivating both chromosomal ( lacZ ) and plasmid-encoded genes (mCherry and ampicillin resistance) without perturbation of the surrounding genomic regions. Furthermore, using a multigenera synthetic soil community, we employ phage-assisted base editing to induce host-specific phenotypic alterations in a community context both in vitro and within the EcoFAB, observing editing efficiencies from 10 to 28% across the bacterial population. The concurrent use of a synthetic microbial community, soil matrix, and EcoFAB device provides a controlled and reproducible model to more closely approximate in situ editing of the soil microbiome.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Photoinduced anomalous Hall effect in two-dimensional transition metal dichalcogenides

A circularly polarized ac pump field illuminated near resonance on two-dimensional transition metal dichalcogenides (TMDs) produces an anomalous Hall effect in response to a dc bias field. In this work, we develop a theory for this photoinduced anomalous Hall effect in undoped TMDs irradiated by a strong coherent laser field. The strong field renormalizes the equilibrium bands and opens up a dynamical energy gap where single-photon resonance occurs. The resulting photon dressed states, or Floquet states, are treated within the rotating-wave approximation. A quantum kinetic equation approach is developed to study the nonequilibrium density matrix and time-averaged transport currents under the simultaneous influence of the strong ac pump field and the weak dc probe field. Dissipative effects are taken into account in the kinetic equation that captures relaxation and dephasing. The photoinduced longitudinal and Hall conductivities display notable resonant signatures when the pump field frequency reaches the spin-split interband transition energies. Rather than valley polarization, we find that the anomalous Hall current is mainly driven by the intraband response of photon-dressed electron populations near the dynamical gap at both valleys, accompanied by a smaller contribution due to the interband response. In conclusion, these findings highlight the importance of photon-dressed bands and nonequilibrium distribution functions in achieving a proper understanding of the photoinduced anomalous Hall effect in a strong pump field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Nanoscale elemental mapping reveals the effect of light and temperature on Gephyrocapsa huxleyi coccoliths

Coccolithophores produce vast quantities of stable calcium carbonate coccoliths, occupying the distinctive position as one of the most productive calcifying organisms on Earth. Gephyrocapsa huxleyi, the most abundant species of coccolithophores across modern oceans, plays an important role in the biological carbon pump and may serve as inspiration for nature-based carbon capture and sequestration technologies. Despite intensive study into G. huxleyi, the biological mechanisms of coccolith synthesis remain unclear. Here, we employ synchrotron X-ray fluorescence to quantitatively map elemental incorporation (calcium, Ca; strontium, Sr; sulfur, S; iron, Fe; and silicon, Si) into G. huxleyi coccoliths at 40-nanometer resolution. Trace elements play a role in determining the thermodynamic stability of coccolith carbonate sequestration and may provide insight into unknown mechanisms of coccolithogenesis. Although the coccolith Sr/Ca ratio has been widely applied as a paleoceanographic proxy, understanding of the Sr/Ca phenomena is limited. Our results confirm that Sr/Ca is temperature dependent but challenge the hypothesis that growth rate is a primary determinant. We find that increased light irradiance led to an ~30% decrease in calcium incorporated into the coccoliths. Surprisingly, X-ray fluorescence spectra and mapping revealed evidence of sulfur, at approximately three times the concentration of Sr, embedded in and around the calcite matrix, suggesting that G. huxleyi coccoliths may play an expanded role in the global sulfur cycle. Here, based on our elemental maps, we postulate that sulfur is active in the intracellular coccolith vesicle and plays a direct role in formation of G. huxleyi coccoliths.

36 MATERIALS SCIENCE↗

NASA NTRS1977

A distorted-wave methodology for electron-ion impact excitation - Calculation for two-electron ions

A distorted-wave program is being developed for calculating the excitation of few-electron ions by electron impact. It uses the exchange approximation to represent the exact initial-state wavefunction in the T-matrix expression for the excitation amplitude. The program has been implemented for excitation of the 2/1,3/(S,P) states of two-electron ions. Some of the astrophysical applications of these cross sections as well as the motivation and requirements of the calculational methodology are discussed.

Bhatia, A. K.↗

NASA NTRS1982

Structural tailoring of engine blades (STAEBL)

A mathematical optimization procedure was developed for the structural tailoring of engine blades and was used to structurally tailor two engine fan blades constructed of composite materials without midspan shrouds. The first was a solid blade made from superhybrid composites, and the second was a hollow blade with metal matrix composite inlays. Three major computerized functions were needed to complete the procedure: approximate analysis with the established input variables, optimization of an objective function, and refined analysis for design verification.

Platt, C. E.↗

NASA NTRS1984

Composite interlaminar fracture - Effect of matrix fracture energy

A major result of the use of the double cantilever beam test to provide a measure of the interlaminar fracture energy in composites subjected to simple Mode I-type loading is the observation that increasing the toughness of the matrix resin by as much as a factor of 20 produced a major (approximately four-fold) increase in interlaminar fracture energy. The data presently analyzed show that, with brittle polymers, resin toughness is fully transferred to the composite, while in the case of tougher polymers the resin toughness is only partially transferred due to the fibers' restriction of the crack tip deformation zone in the polymer, together with their changing of local stress field details. Factors which tend to increase interlaminar toughness are fiber nesting and bridging, as well as fiber breakage and pull-out during crack growth.

Hunston, D. L.↗

NASA NTRS1985

Superconducting magnet

Extensive computer based engineering design effort resulted in optimization of a superconducting magnet design with an average bulk current density of approximately 12KA/cm(2). Twisted, stranded 0.0045 inch diameter NbTi superconductor in a copper matrix was selected. Winding the coil from this bundle facilitated uniform winding of the small diameter wire. Test coils were wound using a first lot of the wire. The actual packing density was measured from these. Interwinding voltage break down tests on the test coils indicated the need for adjustment of the wire insulation on the lot of wire subsequently ordered for construction of the delivered superconducting magnet. Using the actual packing densities from the test coils, a final magnet design, with the required enhancement and field profile, was generated. All mechanical and thermal design parameters were then also fixed. The superconducting magnet was then fabricated and tested. The first test was made with the magnet immersed in liquid helium at 4.2K. The second test was conducted at 2K in vacuum. In the latter test, the magnet was conduction cooled from the mounting flange end.

Source record↗

NASA NTRS1985

Solution algorithms for nonlinear transient heat conduction analysis employing element-by-element iterative strategies

The particular problems investigated in the present study arise from nonlinear transient heat conduction. One of two types of nonlinearities considered is related to a material temperature dependence which is frequently needed to accurately model behavior over the range of temperature of engineering interest. The second nonlinearity is introduced by radiation boundary conditions. The finite element equations arising from the solution of nonlinear transient heat conduction problems are formulated. The finite element matrix equations are temporally discretized, and a nonlinear iterative solution algorithm is proposed. Algorithms for solving the linear problem are discussed, taking into account the form of the matrix equations, Gaussian elimination, cost, and iterative techniques. Attention is also given to approximate factorization, implementational aspects, and numerical results.

Winget, J. M.↗

NASA NTRS1992

Prediction of thermal cycling induced matrix cracking

Thermal fatigue has been observed to cause matrix cracking in laminated composite materials. A method is presented to predict transverse matrix cracks in composite laminates subjected to cyclic thermal load. Shear lag stress approximations and a simple energy-based fracture criteria are used to predict crack densities as a function of temperature. Prediction of crack densities as a function of thermal cycling is accomplished by assuming that fatigue degrades the material's inherent resistance to cracking. The method is implemented as a computer program. A simple experiment provides data on progressive cracking of a laminate with decreasing temperature. Existing data on thermal fatigue is also used. Correlations of the analytical predictions to the data are very good. A parametric study using the analytical method is presented which provides insight into material behavior under cyclical thermal loads.

Mcmanus, Hugh L.↗

NASA NTRS1996

Algebraic Multigrid by Smoothed Aggregation for Second and Fourth Order Elliptic Problems

Multigrid methods are very efficient iterative solvers for system of algebraic equations arising from finite element and finite difference discretization of elliptic boundary value problems. The main principle of multigrid methods is to complement the local exchange of information in point-wise iterative methods by a global one utilizing several related systems, called coarse levels, with a smaller number of variables. The coarse levels are often obtained as a hierarchy of discretizations with different characteristic meshsizes, but this requires that the discretization is controlled by the iterative method. To solve linear systems produced by existing finite element software, one needs to create an artificial hierarchy of coarse problems. The principal issue is then to obtain computational complexity and approximation properties similar to those for nested meshes, using only information in the matrix of the system and as little extra information as possible. Such algebraic multigrid method that uses the system matrix only was developed by Ruge. The prolongations were based on the matrix of the system by partial solution from given values at selected coarse points. The coarse grid points were selected so that each point would be interpolated to via so-called strong connections. Our approach is based on smoothed aggregation introduced recently by Vanek. First the set of nodes is decomposed into small mutually disjoint subsets. A tentative piecewise constant interpolation (in the discrete sense) is then defined on those subsets as piecewise constant for second order problems, and piecewise linear for fourth order problems. The prolongation operator is then obtained by smoothing the output of the tentative prolongation and coarse level operators are defined variationally.

Vanek, Petr↗

NASA NTRS2019

Principal Component Analysis of Up-The-Ramp Sampled Infrared Array Data

We describe the results of principal component analysis (PCA) of up-the-ramp sampled infrared (IR) array data from the Hubble Space Telescope wide field camera 3 (WFC3 IR), James Webb Space Telescope NIRSpec, and prototype Wide Field Infrared Survey Telescope’s wide field instrument detectors. These systems use, respectively, Teledyne H1R, H2RG, and H4RG-10 near-IR detector arrays with a variety of IR array controllers. The PCA shows that the Legendre polynomials approximate the principal components of these systems (i.e., they roughly diagonalize the covariance matrix). In contrast to the monomial basis that is widely used for polynomial fitting and linearization today, the Legendre polynomials are an orthonormal basis. They provide a quantifiable, compact, and (nearly) linearly uncorrelated representation of the information content of the data. By fitting a few Legendre polynomials, nearly all of the meaningful information in representative WFC3 astronomical datacubes can be condensed from 15 up-the-ramp samples down to 6 compressible Legendre coefficients per pixel. The higher order coefficients contain time domain information that is lost when one projects up-the-ramp sampled datacubes onto two-dimensional images by fitting a straight line, even if the data are linearized before fitting the line. Going forward, we believe that this time domain information is potentially important for disentangling the various nonlinearities that can affect IR array observations, i.e., inherent pixel nonlinearity, persistence, burn in, brighter-fatter effect, (potentially) nonlinear interpixel capacitance, and perhaps others.

Rauscher, Bernard J.↗

NASA NTRS2020

An Overview of the Null-Field Method. I. Formulation and Basic Results

In this paper we revisit the fundamentals of the null-field method with discrete sources. We prove the unique solvability of the null-field equations for the total field inside the particle and the internal field outside the particle, at all wavenumbers. For this purpose, we use the equivalence between the null-field and surface integral equations methods. Furthermore, we discuss the completeness property of different systems of discrete sources for a surface field approximation, and derive an infinite set of integral equations for the surface fields in a variety of discrete sources. Finally, we formulate the null-field scheme as an approach aiming to construct an approximate solution to the scattering problem. The way in which we introduce the matrix of a particle is different from the standard approach relying on the assumption that the system of regular vector spherical wave functions for the interior problem is a basis.

Null-field method↗

DOE OSTI2023

Advancing the Theory of Nuclear Data Evaluations [Abstract]

We present recent advances in the R-matrix formalism as well as the Bayesian evaluation framework for improved nuclear data evaluations. The advances in the R matrix formalism include: 1) direct processes, 2) doorway, as well as multistep, processes, and 3) various forms of the Reich-Moore approximation for eliminated capture channels. Furthermore, to address unreasonably small posterior uncertainties often encountered in nuclear data evaluations of large data sets using the conventional form of the Bayes’ theorem, we introduce imperfections (of the data or the model) as a formal evaluation tool for taming the evaluated uncertainties in harmony with Bayes’ theorem. These theoretical advances were motivated by the nuclear data evaluations of differential resolved resonance cross section data using the code SAMMY, as well as the integral benchmark experiments using the SCALE code system, being performed at Oak Ridge National Laboratory for the Nuclear Criticality Safety Program. Some pedagogical applications of the new formalism, as well as a snapshot of the SAMMY modernization efforts, will be presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

R-matrix calculations for opacities: I. Methodology and computations

Abstract An extended version of the R -matrix methodology is presented for calculation of radiative parameters for improved plasma opacities. Contrast and comparisons with existing methods primarily relying on the distorted wave approximation are discussed to verify accuracy and resolve outstanding issues, particularly with reference to the opacity project (OP). Among the improvements incorporated are: (i) large-scale Breit–Pauli R -matrix calculations for complex atomic systems including fine structure, (ii) convergent close coupling wave function expansions for the ( e + ion) system to compute oscillator strengths and photoionization cross sections, (iii) open and closed shell iron ions of interest in astrophysics and experiments, (iv) a treatment for plasma broadening of autoionizing resonances as function of energy-temperature-density dependent cross sections, (v) a ‘top-up’ procedure to compare convergence with R -matrix calculations for highly excited levels, and (vi) spectroscopic identification of resonances and bound ( e + ion) levels. The present R -matrix monochromatic opacity spectra are fundamentally different from OP and lead to enhanced Rosseland and Planck mean opacities. An outline of the work reported in other papers in this series and those in progress is presented. Based on the present re-examination of the OP work, opacities of heavy elements might require revisions in high temperature-density plasma sources.

Pradhan, A. K. (ORCID:0000000187753643)↗

NASA NTRS2001

Crystallization of bFGF-DNA Aptamer Complexes Using a Sparse Matrix Designed for Protein-Nucleic Acid Complexes

The Sparse Matrix approach for obtaining lead crystallization conditions has proven to be very fruitful for the crystallization of proteins and nucleic acids. Here we report a Sparse Matrix developed specifically for the crystallization of protein-DNA complexes. This method is rapid and economical, typically requiring 2.5 mg of complex to test 48 conditions. The method was originally developed to crystallize basic fibroblast growth factor (bFGF) complexed with DNA sequences identified through in vitro selection, or SELEX, methods. Two DNA aptamers that bind with approximately nanomolar affinity and inhibit the angiogenic properties of bFGF were selected for co-crystallization. The Sparse Matrix produced lead crystallization conditions for both bFGF-DNA complexes.

Cannone, Jaime J.↗