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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1975

Validity of approximate methods in molecular scattering - Thermal HCl-He collisions

Accurate close coupling scattering calculations are presented for thermal energy HCl-He collisions. The interaction potential is obtained from the Gordon-Kim electron gas model, adjusted to have the correct long-range multipole form. A variety of phenomenological cross sections are computed from the close coupling S matrix, and these are compared with results from several commonly employed approximate methods. In particular, it is found that the total integral, total differential, and gas kinetic cross sections are accurately predicted by the central field approximation which retains just the spherical average of the interaction. Integral inelastic cross sections are represented quite accurately by the coupled states approximation of McGuire and Kouri, but only qualitatively by the effective potential method of Rabitz.

Green, S.↗

DOE OSTI2024

Composition Quantification of SiGeSn Alloys Through Time-of-Flight Secondary Ion Mass Spectrometry: Calibration Methodologies and Validation With Atom Probe Tomography

Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is a powerful technique for elemental compositional analysis and depth profiling of materials. However, it encounters the problem of matrix effects that hinder its application. In this work, we introduce a pioneering ToF-SIMS calibration method tailored for SixGeySnz ternary alloys. SixGe1-x and Ge1-zSnz binary alloys with known compositions are used as calibration reference samples. Through a systematic SIMS quantification study of SiGe and GeSn binary alloys, we unveil a linear correlation between secondary ion intensity ratio and composition ratio for both SiGe and GeSn binary alloys, effectively mitigating the matrix effects. Extracted relative sensitivity factor (RSF) value from SixGe1-x (0.07 < x < 0.83) and Ge1-zSnz (0.066 < z < 0.183) binary alloys are subsequently applied to those of SixGeySnz (0.011 < x < 0.113, 0.863 < y < 0.935 and 0.023 < z < 0.103) ternary alloys for elemental compositions quantification. These values are cross-checked by Atom Probe Tomography (APT) analysis, an indication of the great accuracy and reliability of as-developed ToF-SIMS calibration process. Furthermore, the proposed method and its reference sample selection strategy in this work provide a low-cost as well as simple-to-follow calibration route for SiGeSn composition analysis, thus driving the development of next-generation multifunctional SiGeSn-related semiconductor devices.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Bottomonium properties in the quark-gluon plasma from a lattice-QCD informed 𝑇-matrix approach

Recent computations of bottomonium correlation functions with extended sources in lattice-discretized quantum chromodynamics (lQCD) provide new insights into heavy-quark dynamics at distance scales which are of the order of the inverse temperature. We analyze these results employing the thermodynamic 𝑇-matrix framework, in a continued effort to interpret lQCD data for quarkonium correlation functions in a nonperturbative and self-consistently solved quantum-many-body approach to a strongly coupled quark-gluon plasma (QGP). Its key inputs are the in-medium driving kernel (potential) of the scattering equation and an interference function which implements 3-body effects in the quarkonium coupling to the thermal medium. A simultaneous description of lQCD results for the bottomonium correlators with extended operators and the previously analyzed Wilson line correlators only requires minor refinements of the potential but calls for stronger interference effects at larger separation of the bottom quark and antiquark. We then analyze the poles of the self-consistent 𝑇 matrices on the real axis to assess the survival of the various bound states. Here, we estimate the pertinent temperatures where the poles disappear for the various bottomonium states and discuss the relation to the corresponding peaks in the bottomonium spectral functions. We also recalculate the spatial diffusion coefficient of the QGP and find it to be similar to that in our previous study.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Designing Physicochemically‐Ordered Interphases for High‐Performance Composites

To enhance the mechanical properties of carbon fiber‐reinforced polymer composites, a physicochemical scaffold is designed incorporating microscopically architected chemically reactive nanofibers that act as a multiscale bridge between the carbon fibers and the matrix. Thermally activated nanofibers leverage their morphologically driven mechanochemical properties to form covalent bonds with adjacent polymer molecules, creating a co‐continuous network that dramatically enhances fiber‐matrix load transfer. By meticulously controlling the nanofiber architecture through variable surface area, functional group availability, and polymer chain alignment effects, the extent of covalent bonding between nanofibers and the matrix is manipulated ultimately resulting in improved carbon fiber‐matrix adhesion. Further, the concept was validated using polyacrylonitrile nanofibers within an acrylonitrile butadiene styrene matrix in a discontinuous carbon fiber‐reinforced composite system. Nanomechanical studies using atomic force microscopy and low‐field nuclear magnetic resonance spectroscopy confirmed immobilized, chemically transferred, and ordered nanostructures at the interphase. The resulting composites demonstrated ≈56% and ≈175% improvements in tensile strength and toughness, respectively, compared to composites without nanofiber. Comprehensive thermal, rheological, and X‐ray scattering analyses, along side all‐atomic molecular dynamics simulations, revealed the fundamental mechanisms behind these improvements in mechanical behavior. The versatility and efficacy of the approach have the potential to address longstanding interphase challenges in the composite industry.

36 MATERIALS SCIENCE↗

NASA NTRS1999

Liquid Methane/Oxygen Injector Study for Mars Ascent Engines

As a part of the advancing technology of the cryogenic propulsion system for the Mars exploration mission, this effort aims at evaluating propellant injection concepts for liquid methane/liquid oxygen (LOX) rocket engines. Split-triplet and unlike impinging injectors were selected for this study. A total of four injector configurations were tested under combustion conditions in a modular combustor test article (MCTA), equipped with optically accessible windows, at MSFC. A series of forty hot-fire tests, which covered a wide range of engine operating conditions with the chamber pressure ranging from 320 to 510 and the mixture ratio from 1.5 to 3.5, were conducted. The test matrix also included a variation in the combustion chamber length for the purpose of investigating its effects on the combustion performance and stability. Initial assessments of the test results showed that the injectors provided stable combustion and there were no injector face overheating problems under all operating conditions. The Raman scattering signal measurement method was successfully demonstrated for the hydrocarbon/oxygen reactive flow field. The near-injector face flow field was visually observed through the use of an infrared camera. Chamber wall temperature, high frequency chamber pressure, and average throat section heat flux were also recorded throughout the test series. Assessments of the injector performance are underway.

Trinh, Huu Phuoc↗

NASA NTRS1973

Unsteady, combined radiation and conduction in an absorbing, scattering, and emitting medium.

The transient cooldown of a gray, absorbing, isotropic scattering, emitting, and conducting medium bounded by gray, diffusely emitting and reflecting parallel plates is considered. Numerical solutions are obtained for the initial boundary-value problem with a discontinuous decrease in temperature at one boundary. The quasi-steady equation of radiative transfer is solved using Gaussian quadrature and a matrix eigenvector technique together with explicit numerical solution of the unsteady energy equation. Temperature and energy flux distributions are presented for variations of optical thickness, boundary emissivity, albedo, and conduction-radiation parameter.

Weston, K. C.↗

NASA NTRS1979

Semiclassical theory of electronically nonadiabatic transitions in molecular collision processes

An introductory account of the semiclassical theory of the S-matrix for molecular collision processes is presented, with special emphasis on electronically nonadiabatic transitions. This theory is based on the incorporation of classical mechanics with quantum superposition, and in practice makes use of the analytic continuation of classical mechanics into the complex space of time domain. The relevant concepts of molecular scattering theory and related dynamical models are described and the formalism is developed and illustrated with simple examples - collinear collision of the A+BC type. The theory is then extended to include the effects of laser-induced nonadiabatic transitions. Two bound continuum processes collisional ionization and collision-induced emission also amenable to the same general semiclassical treatment are discussed.

Lam, K. S.↗

NASA NTRS1984

Rapid extraction of relative topography from Viking orbiter images. 2: Application to irregular topographic features

The ratio and flat field photoclinometric methods for determining crater form topography are described. Both methods compensate for the effects of atmospheric scattering by subtracting a haze value from all brightness values. Algorithms were altered to derive relative topographic data for irregular features such as ejecta blankets, lava flows, graben and ridge scarps, dune forms, and stratified materials. After the elevations along the profiles are obtained by integration of the photometric function, a matrix transformation is applied to the image coordinates of each pixel within each profile, utilizing each pixel's integral height, to produce a projection of each profile line onto the surface. Pixel brightness values are then resampled along the projected track of each profile to determine a more correct height value for each pixel. Precision of the methods is discussed.

Davis, P. A.↗

DOE OSTI2024

3D Heisenberg universality in the van der Waals antiferromagnet NiPS 3

Van der Waals (vdW) magnetic materials are comprised of layers of atomically thin sheets, making them ideal platforms for studying magnetism at the two-dimensional (2D) limit. These materials are at the center of a host of novel types of experiments, however, there are notably few pathways to directly probe their magnetic structure. We confirm the magnetic order within a single crystal of NiPS 3 and show it can be accessed with resonant elastic X-ray diffraction along the edge of the vdW planes in a carefully grown crystal by detecting structurally forbidden resonant magnetic X-ray scattering. We find the magnetic order parameter has a critical exponent of β ~ 0.36, indicating that the magnetism of these vdW crystals is more adequately characterized by the three-dimensional (3D) Heisenberg universality class. We verify these findings with first-principles density functional theory, Monte-Carlo simulations, and density matrix renormalization group calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2012

Momentum Flux Determination Using the Multi-beam Poker Flat Incoherent Scatter Radar

In this paper, we develop an estimator for the vertical flux of horizontal momentum with arbitrary beam pointing, applicable to the case of arbitrary but fixed beam pointing with systems such as the Poker Flat Incoherent Scatter Radar (PFISR). This method uses information from all available beams to resolve the variances of the wind field in addition to the vertical flux of both meridional and zonal momentum, targeted for high-frequency wave motions. The estimator utilises the full covariance of the distributed measurements, which provides a significant reduction in errors over the direct extension of previously developed techniques and allows for the calculation of an error covariance matrix of the estimated quantities. We find that for the PFISR experiment, we can construct an unbiased and robust estimator of the momentum flux if sufficient and proper beam orientations are chosen, which can in the future be optimized for the expected frequency distribution of momentum-containing scales. However, there is a potential trade-off between biases and standard errors introduced with the new approach, which must be taken into account when assessing the momentum fluxes. We apply the estimator to PFISR measurements on 23 April 2008 and 21 December 2007, from 60-85 km altitude, and show expected results as compared to mean winds and in relation to the measured vertical velocity variances.

Momentum flux↗

NASA NTRS2019

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation of a Perforated Plate Cooling Flow: Part 1

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better modeling approaches for these turbulent flow fields where accurate calculation of turbulent heat flux is important. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity as well as the mean temperature and root mean square (rms) temperatures in a film cooling flow field. In addition to off-body flow field measurements, infrared thermography (IR) and thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures (up to TR = 2.7) and Mach numbers (up to M0.9), across a 30.48 cm long plate equipped with three patches of 45 small (~1 mm) diameter cooling holes arranged in a staggered configuration. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 14 axial stations were collected in the same flows. Only a subset of the data collected in the test program is included in this Part I report and are available from the NASA STI office. The final portion of the data will be published in a future report, Part II, along with CFD predictions of the complex cooling film flow.

Raman Scattering↗

NASA NTRS1990

Scattering of impact wave by a crack in composite plate

The surface responses due to impact load on an infinite uniaxial graphite/epoxy plate with and without delamination cracks are investigated both in time and frequency domain by using a hybrid method combining the finite element discretization of the near-field with boundary integral representation of the field outside a contour enclosing completely the crack. This combined method leads to a set of linear unsymmetric complex matrix equations which are solved to obtain the response in the frequency domain by biconjugate gradient method. The time domain response is then obtained by using an FFT. In order to capture the time-domain characteristics accurately, high order finite elements have been used. Also, both the six node singular elements and eight node transition elements are used around the crack tips to model the crack-tip singularity. It is shown that from the numerical results for surface responses both depth and length of this crack can be identified.

Ju, T. H.↗

NASA NTRS2019

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation of a Perforated Plate Cooling Flow: Part I

IR camera Measurments↗

DOE OSTI2025

Alpha-decay width of a near proton-threshold resonance in the 7 Li( α, α ) channel

We investigate the alpha-decay width of a near proton-threshold resonance in 11 B by the excitation functions of 7 Li(α, α) and 7 Li(α, α’) reactions. This resonance is an example of loosely bound atomic nuclei, understood as small open quantum systems, that exhibit properties significantly influenced by their coupling to the continuum. The present experiment focuses on the formation of a specific state in 11 B at excitation energy in the region near 11.4 MeV by bombarding a 7 Li target with a 4 He beam at energies ranging from 3.92 to 4.56 MeV in the laboratory frame. The study provides data complementary to previous observations of the proton emission in the β-decay of the neutron-rich halo nucleus 11 Be. An R-matrix fit to the data provides resonance energy and partial widths consistent with J π =1/2 + for a narrow near-threshold state in 11 B at 11.400(20) MeV, that is 171(20) keV above the proton emission threshold, with partial α-decay width Γ α =2.5$^{+3.5}_{–1.5}$ keV in elastic scattering and Γ α' =15.8$^{+1.9}_{–0.4}$ keV in inelastic scattering. These findings contribute to the understanding of the structure of this open quantum system resonance.

11B↗

NASA NTRS1982

Radiative transfer in realistic planetary atmospheres

Some 40 publications that appeared in scientific journals from 1973 to 1981 as well as 45 scientific reports issued during the grant period are listed by title. Topics cover the development of a matrix operator theory of radiative transfer which made possible the exact model calculations of the radiance as a function of height in planetary atmospheres; calculation of the Mie phase matrix for various types of particles as well as for radiance and polarization in planetary atmospheres; analysis of high dispersion spectroscopic observations of Venus; calculation of curves of growth for Venus; the development of a theory for calculating radiative transfer in spherical shell atmospheres; investigations of zonal winds on Venus; and examination of Rayleigh scattering.

Plass, G. N.↗

NASA NTRS1989

Comment on linewidths and shifts in the Stokes-Raman Q branch of D2 in He

Collision-induced widths and shifts for Raman Q-branch transitions of D2 in He were calculated from S matrices obtained with converged close coupling scattering calculations on an accurate theoretical interaction potential. Results agree well with experimental values. Discrepancies between experimental line shifts and theoretical values from an earlier study (Blackmore et al., 1988) are traced to a computational error in that work. The effects of vibrational inelasticity and of centrifugal distortion on energy levels and on potential matrix elements, all of which were ignored in the earlier study, are explicitly considered here and found to be small.

Green, Sheldon↗

NASA NTRS1990

Reaction zone microstructure in a Ti3Al + Nb/SiC composite

A composite of Ti-25Al-13Nb (atomic percent) matrix with a continuous SiC fiber (SCS-6) reinforcement was fabricated by hot pressing powder cloths and mats of fiber. The fiber/matrix reaction zone was studied using scanning electron microscopy (SEM) and transmission electron microscopy/analytical electron microscopy (TEM/AEM) techniques. The extent of reaction was determined, phases were identified, and solute partitioning among the phases was determined. It was found that the matrix had reacted only with a portion of the carbon-rich outer layer of the SCS-6 fiber. The reaction zone contained two concentric zones which are distinguished by the presence of different carbide phases. Both zones contained a hexagonal Si-bearing phase, and one of the zones also contained some fine scattered porosity. The results are discussed with reference to available phase equilibria data.

Baumann, S. F.↗

NASA NTRS1996

A Least-Squares Finite Element Method for Electromagnetic Scattering Problems

The least-squares finite element method (LSFEM) is applied to electromagnetic scattering and radar cross section (RCS) calculations. In contrast to most existing numerical approaches, in which divergence-free constraints are omitted, the LSFF-M directly incorporates two divergence equations in the discretization process. The importance of including the divergence equations is demonstrated by showing that otherwise spurious solutions with large divergence occur near the scatterers. The LSFEM is based on unstructured grids and possesses full flexibility in handling complex geometry and local refinement Moreover, the LSFEM does not require any special handling, such as upwinding, staggered grids, artificial dissipation, flux-differencing, etc. Implicit time discretization is used and the scheme is unconditionally stable. By using a matrix-free iterative method, the computational cost and memory requirement for the present scheme is competitive with other approaches. The accuracy of the LSFEM is verified by several benchmark test problems.

Wu, Jie↗