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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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At least 19 records

Femtoscopic study of the proton-proton and proton-deuteron systems in heavy-ion collisions at the LHC

This work reports femtoscopic correlations of p – – p ($\overline{p}$ – – $\overline{p}$) and p – – d ($\overline{p}$ – – $\overline{d}$) pairs measured in Pb–Pb collisions at center-of-mass energy per nucleon $\sqrt{s_{NN}}$ = 5.02 TeV in the ALICE Collaboration. A fit to the measured proton-proton correlation functions allows one to extract the dependence of the nucleon femtoscopic radius of the particle-emitting source on the pair transverse mass (m T ) and on the average charge particle multiplicity $\langle$dN ch /dη$\rangle$ 1/3 for three centrality intervals (0–10%, 10 – – 30 %, 30 – – 50 %). In both cases, the expected power-law and linear scalings are observed, respectively. The measured p–d correlations can be described by both two- and three-body calculations, indicating that the femtoscopy observable is not sensitive to the short-distance features of the dynamics of the p-(p-n) system, due to the large inter-particle distances in Pb–Pb collisions at the LHC. Indeed, in this study, the minimum measured femtoscopic source sizes for protons and deuterons have a minimum value at 2.73$^{+0.05}_{–0.05}$ and 3.10$^{+1.04}_{–0.86}$ fm, respectively, for the 30–50% centrality collisions. Moreover, the m T -scaling obtained for the p–p and p–d systems is compatible within 1σ of the uncertainties. These findings provide new input for fundamental studies on the production of light (anti)nuclei under extreme conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Influence of multi-step heat treatments in creep age forming of 7075 aluminum alloy: Optimization for springback, strength and exfoliation corrosion

Multi-step heat treatments comprise of high temperature forming (150 Degree-Sign C/24 h plus 190 Degree-Sign C for several minutes) and subsequent low temperature forming (120 Degree-Sign C for 24 h) is developed in creep age forming of 7075 aluminum alloy to decrease springback and exfoliation corrosion susceptibility without reduction in tensile properties. The results show that the multi-step heat treatment gives the low springback and the best combination of exfoliation corrosion resistance and tensile strength. The lower springback is attributed to the dislocation recovery and more stress relaxation at higher temperature. Transmission electron microscopy observations show that corrosion resistance is improved due to the enlargement in the size and the inter-particle distance of the grain boundaries precipitates. Furthermore, the achievement of the high strength is related to the uniform distribution of ultrafine {eta} Prime precipitates within grains. - Highlights: Black-Right-Pointing-Pointer Creep age forming developed for manufacturing of aircraft wing panels by aluminum alloy. Black-Right-Pointing-Pointer A good combination of properties with minimal springback is required in this component. Black-Right-Pointing-Pointer This requirement can be improved through the appropriate heat treatments. Black-Right-Pointing-Pointer Multi-step cycles developed in creep age forming of AA7075 for improving of springback and properties. Black-Right-Pointing-Pointer Results indicate simultaneous enhancing the properties and shape accuracy (lower springback).

36 MATERIALS SCIENCE↗

Dynamic tensile deformation and damage of B 4 C-reinforced Al composites: Time-resolved imaging with synchrotron x-rays

Dynamic tensile experiments are conducted on 15% and 30% in weight percentage B 4 C/Al composites with a split Hopkinson tension bar, along with high-speed synchrotron x-ray digital image correlation (XDIC) to map strain fields at μ m and μ s scales. As manifested by bulk-scale stress – strain curves, a higher particle content leads to a higher yield strength but lower ductility. Strain field mapping by XDIC demonstrates that tension deformation and tensile fracture, as opposed to shear and shear failure, dominate deformation and failure of the composites. The fractographs of recovered samples show consistent features. The particle-matrix interfaces are nucleation sites for strain localizations, and their propagation and coalescence are diffused by the Al matrix. The reduced spacing between strain localization sites with increasing particle content, facilitates their coalescence and leads to decreased ductility. Furthermore, designing a particle-reinforced, metallic-matrix composite with balanced strength and ductility should consider optimizing the inter-particle distance as a key par

36 MATERIALS SCIENCE↗

Correlation of precipitate evolution with Vickers hardness in Haynes® 282® superalloy: In-situ high-energy SAXS/WAXS investigation

Here, the aim of this work is to characterise precipitation kinetics in Haynes® 282® superalloy using high-energy Small Angle X-ray Scattering (SAXS) together with Wide Angle X-ray Scattering (WAXS). The phases identified by WAXS include: γ (matrix), γ' (hardening precipitates), MC (metallic carbides), and M 23 C 6 /M 6 C (secondary metallic carbides). The γ'-precipitates are spheroids with a diameter of several nanometres, depending on temperature and aging time. From the SAXS data quantitative parameters such as volume fraction, number density and inter-particle distance were determined and correlated with Vickers microhardness measurements performed ex situ . The strengthening components associated with precipitates and solid solutions were separated using the measured Vickers microhardness and SAXS model parameters. A power law dependence between strengthening attributable to the precipitates and the product of volume fraction and mean precipitate radius was found. The solid solution strengthening component was found to be correlated with the repulsion/diffusion zone width around the precipitates.

36 MATERIALS SCIENCE↗

Unveiling the strong interaction among hadrons at the LHC

One of the key challenges for nuclear physics today is to understand from first principles the effective interaction between hadrons with different quark content. First successes have been achieved using techniques that solve the dynamics of quarks and gluons on discrete space-time lattices. Experimentally, the dynamics of the strong interaction have been studied by scattering hadrons off each other. Such scattering experiments are difficult or impossible for unstable hadrons and so high-quality measurements exist only for hadrons containing up and down quarks. Here we demonstrate that measuring correlations in the momentum space between hadron pairs produced in ultrarelativistic proton–proton collisions at the CERN Large Hadron Collider (LHC) provides a precise method with which to obtain the missing information on the interaction dynamics between any pair of unstable hadrons. Specifically, we discuss the case of the interaction of baryons containing strange quarks (hyperons). We demonstrate how, using precision measurements of proton–omega baryon correlations, the effect of the strong interaction for this hadron–hadron pair can be studied with precision similar to, and compared with, predictions from lattice calculations. The large number of hyperons identified in proton–proton collisions at the LHC, together with accurate modelling of the small (approximately one femtometre) inter-particle distance and exact predictions for the correlation functions, enables a detailed determination of the short-range part of the nucleon-hyperon interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Vortices of self-gravitating grains in dusty plasmas

Vortices are an attractive expression of the non-linear dynamics of fluids along with plasmas. In complex plasmas, Nebbat and Annou [Phys. Plasmas 17, 093702 (2010)] proposed a time dependent non-linear model that considers vortices as a consequence of an instability. The model is augmented hereafter by incorporating the gravitational grain-grain attraction, particle drift due to self-gravity field, self-consistent inter-particle distance, the permeability of grains along with the grain charge excess due to the non-linear dependence of the grain capacitance on its size. Effects of the latter parameters as well as the effect of grain mass to charge ratio on the characteristics of the vortex such as density are investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

General coalescence conditions for the exact wave functions: Higher-order relations for two-particle systems

We derived the necessary conditions that the non-relativistic time-independent exact wave functions for two-particle systems must satisfy at a coalescence (or cusp) point. Some of such necessary conditions are already known to be Kato's cusp condition (CC) and Rassolov and Chipman's CC. In the present study, we extended and generalized those conditions, calling them generalized coalescence conditions (GCCs). Kato's CC and Rassolov and Chipman's CC were shown to be specific cases included in the GCCs. The GCCs can be applied not only to Coulombic systems but also to any systems where the interaction between two particles is represented in a power series of the inter-particle distance. We confirmed the correctness of our derivation of these GCCs by applying the free complement wave functions of a hydrogen atom in ground and excited states, a harmonic oscillator, and a system with an interacting potential of V=r.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

General coalescence conditions for the exact wave functions. II. Higher-order relations for many-particle systems

We derived the necessary conditions that must be satisfied by the non-relativistic time-independent exact wave functions for many-particle systems at a two-particle coalescence (or cusp) point. Some simple conditions are known to be Kato's cusp condition (CC) and Rassolov and Chipman's CC. In a previous study, we derived an infinite number of necessary conditions that two-particle wave functions must satisfy at a coalescence point. In the present study, we extend these conditions to many-particle systems. They are called general coalescence conditions (GCCs), and Kato's CC and Rassolov and Chipman's CC are included as special conditions. GCCs can be applied not only to Coulombic systems but also to any system in which the interaction between two particles is represented in a power series of inter-particle distances. We confirmed the correctness of our derivation of the GCCs by applying the exact wave function of a harmonium in electron-electron and electron-nucleus coalescence situations. In addition, we applied the free complement (FC) wave functions of a helium atom to the GCCs to examine the accuracy of the FC wave function in the context of a coalescence situation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic interactions in γ-Fe{sub 2}O{sub 3}@SiO{sub 2} nanocomposites

Structural and magnetic properties of γ-Fe{sub 2}O{sub 3} nanoparticles of 4 nm diameter, dispersed into silica SiO{sub 2} matrix with a wide range value of volume fraction (0.05 to 1), were investigated. Produced γ-Fe{sub 2}O{sub 3}@SiO{sub 2} nanocomposites consist of an assembly of very small single domain magnetic object (<10 nm) with a random distribution of both inter-particle distance and direction of particle magnetic moment. We focused on the determination of a magnetic percolation threshold, defined as the magnetic particles concentration value above which the magnetic properties of isolated particles vanished in favor of a magnetic collective behavior induced by magnetic interactions. A percolation threshold value of 0.63 was obtained by a local probe technique such as {sup 57}Fe Mössbauer spectrometry and confirmed by global magnetic measurements through zero-field cooled, field-cooled, and ac susceptibility data. Below this threshold, dynamic ac magnetization measurements show a thermally activated Arrhenius dependence of the blocking temperature of superparamagnetic nanoparticles and above this critical value, one observes a slowing down of their dynamic properties, which lead toward the establishment of a spin-glass like state.

36 MATERIALS SCIENCE↗

Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors

Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between the kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green’s function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4–16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A software library based on this algorithm has been implemented in C++11 and has been released.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insights on proximity effect and multiphoton induced luminescence from gold nanospheres in far field optical microscopy

Gold nanoparticles can be visualized in far-field multiphoton laser-scanning microscopy (MPM) based on the phenomena of multiphoton induced luminescence (MIL). This is of interest for biomedical applications, e.g., for cancer diagnostics, as MPM allows for working in the near-infrared (NIR) optical window of tissue. It is well known that the aggregation of particles causes a redshift of the plasmon resonance, but its implications for MIL applying far-field MPM should be further exploited. Here, we explore MIL from 10 nm gold nanospheres that are chemically deposited on glass substrates in controlled coverage gradients using MPM operating in NIR range. The substrates enable studies of MIL as a function of inter-particle distance and clustering. It was shown that MIL was only detected from areas on the substrates where the particle spacing was less than one particle diameter, or where the particles have aggregated. The results are interpreted in the context that the underlying physical phenomenon of MIL is a sequential two-photon absorption process, where the first event is driven by the plasmon resonance. It is evident that gold nanospheres in this size range have to be closely spaced or clustered to exhibit detectable MIL using far-field MPM operating in the NIR region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Monte Carlo simulations of ionization potential depression in dense plasmas

A particle-particle grand canonical Monte Carlo model with Coulomb pair potential interaction was used to simulate modification of ionization potentials by electrostatic microfields. The Barnes-Hut tree algorithm [J. Barnes and P. Hut, Nature 324, 446 (1986)] was used to speed up calculations of electric potential. Atomic levels were approximated to be independent of the microfields as was assumed in the original paper by Ecker and Kröll [Phys. Fluids 6, 62 (1963)]; however, the available levels were limited by the corresponding mean inter-particle distance. The code was tested on hydrogen and dense aluminum plasmas. The amount of depression was up to 50% higher in the Debye-Hückel regime for hydrogen plasmas, in the high density limit, reasonable agreement was found with the Ecker-Kröll model for hydrogen plasmas and with the Stewart-Pyatt model [J. Stewart and K. Pyatt, Jr., Astrophys. J. 144, 1203 (1966)] for aluminum plasmas. Our 3D code is an improvement over the spherically symmetric simplifications of the Ecker-Kröll and Stewart-Pyatt models and is also not limited to high atomic numbers as is the underlying Thomas-Fermi model used in the Stewart-Pyatt model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electromechanical control of polarization vortex ordering in an interacting ferroelectric-dielectric composite dimer

Using a free-energy based computational model, we have investigated the response of a system comprising two interacting ferroelectric nanospheres, embedded in a dielectric medium, to a static external electric field. The system response is hysteretic and tunable by changing the inter-particle distance and the orientation of the applied field, which strongly modulates the field-driven long-range elastic interactions between the particles that propagate through the dielectric matrix. At small separations, the sensitivity of the system behavior with respect to the electric field direction originates from drastically different configurations of the local vortex-like polarization states in ferroelectric particles. In conclusion, this suggests new routes for the design of composite metamaterials whose dielectric properties can be controlled and tuned by selecting the mutual arrangement of their ferroelectric components.

36 MATERIALS SCIENCE↗

Testing approximate predictions of displacements of cosmological dark matter halos

We present a test to quantify how well some approximate methods, designed to reproduce the mildly non-linear evolution of perturbations, are able to reproduce the clustering of DM halos once the grouping of particles into halos is defined and kept fixed. The following methods have been considered: Lagrangian Perturbation Theory (LPT) up to third order, Truncated LPT, Augmented LPT, MUSCLE and COLA. The test runs as follows: halos are defined by applying a friends-of-friends (FoF) halo finder to the output of an N-body simulation. The approximate methods are then applied to the same initial conditions of the simulation, producing for all particles displacements from their starting position and velocities. The position and velocity of each halo are computed by averaging over the particles that belong to that halo, according to the FoF halo finder. This procedure allows us to perform a well-posed test of how clustering of the matter density and halo density fields are recovered, without asking to the approximate method an accurate reconstruction of halos. We have considered the results at z =0,0.5,1, and we have analysed power spectrum in real and redshift space, object-by-object difference in position and velocity, density Probability Distribution Function (PDF) and its moments, phase difference of Fourier modes. We find that higher LPT orders are generally able to better reproduce the clustering of halos, while little or no improvement is found for the matter density field when going to 2LPT and 3LPT. Augmentation provides some improvement when coupled with 2LPT, while its effect is limited when coupled with 3LPT. Little improvement is brought by MUSCLE with respect to Augmentation. The more expensive particle-mesh code COLA outperforms all LPT methods, and this is true even for mesh sizes as large as the inter-particle distance. This test sets an upper limit on the ability of these methods to reproduce the clustering of halos, for the cases when these objects are reconstructed at the object-by-object level.

79 ASTRONOMY AND ASTROPHYSICS↗

Bi-continuous Multi-component Nanocrystal Superlattices for Solar Energy Conversion

Our SISGR program studied an emerging class of nanomaterials wherein different combinations of semiconductor or semiconductor and plasmonic nanocrystals (NCs) are self-assembled into three-dimensional multi-component superlattices. The NC assemblies were designed to form bicontinuous semiconductor NC sublattices with type-II energy offsets to drive charge separation onto electron and hole transporting sublattices for collection and introduce plasmonic NCs to increase solar absorption and charge separation. Our group is expert in synthesizing and assembling an extraordinary variety of artificial systems by tailoring the NC building blocks and the superlattice unit cell geometry. Under this DOE BES Materials Chemistry program, we introduced chemical methods to control inter-particle distance and to dope NC assemblies, which enabled our demonstration of strong electronic communication between NCs and the use of NC thin films as electronic materials. We synthesized, assembled and structurally, spectroscopically, and electrically probed NC superlattices to understand and manipulate the flow of energy and charge toward discovering the design rules and optimizing these complex architectures to create materials that efficiently convert solar radiation into electricity.

14 SOLAR ENERGY↗

Particle rotations and energy dissipation during mechanical compression of granular materials

Here, we present new in-situ measurements of particle rotations and energy dissipation during compression of 3D packings of stiff, frictional particles. Two confined, uniaxial compression tests with different degrees of lateral confinement are discussed. X-ray computed tomography and 3D X-ray diffraction were combined to provide inter-particle forces, slip and roll distances, twist angles, and energy dissipation at all inter-particle contacts. Each of these measured quantities followed exponential distributions above their respective mean values and power-law distributions below their mean values in both experiments. Changes in these distributions during experiments suggest that the quantities generally became more homogeneous with increasing overall sample stress. Contact roll and slip distances, twist angles, and energy dissipation were all more heterogeneous than inter-particle normal force magnitudes in both experiments. Energy dissipation due to inter-particle slipping accounted for 95% of the total energy dissipated in both experiments. Dissipation mechanisms at inter-particle contacts bearing more than the mean normal force were responsible for approximately 70% of each sample’s dissipated energy at each load step, even though these contacts constituted approximately 40% of the total number of contacts.

36 MATERIALS SCIENCE↗

Statistical thermodynamics for a self-gravitating fluid of rotating particles

Systems with long-range interactions (those which decay at large distances as r{sup -l}, with l≥d, where d is the dimensionality of the considered space), like gravitational or charged ones, present difficulties when treated by conventional statistical mechanics perturbation methods. In this work a self-gravitating fluid of rotating spherical particles is considered. The corresponding inter-particle potential model is a long-ranged one and was obtained from the application of the Newtonian limit to the Kerr metric. This potential has been expressed as a finite sum of hard-core Yukawa potentials. This new potential mimics the original long-ranged one and can be treated with conventional statistical mechanics methods. The first-order mean spherical approximation is applied to this potential to obtain the thermodynamic response functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Dispersion potential between three-bodies with arbitrary electric multipole polarizabilities: Molecular QED theory

Molecular quantum electrodynamics is used to obtain an expression for the retarded dispersion energy shift between three arbitrarily electrically polarizable atoms or molecules. A generalized Craig-Power Hamiltonian that depends quadratically on the electric displacement field is employed together with third-order diagrammatic perturbation theory. This approach simplifies the calculation relative to the use of the usual multipolar coupling Hamiltonian that is linear in the displacement field. Specific higher multipole non-additive contributions are then extracted. These include dipole-dipole-quadrupole, dipole-quadrupole-quadrupole, and dipole-dipole-octupole potentials valid for oriented and isotropic species with arbitrary separation distances between particles, extending recent work in which these energy shifts were given for equilateral triangle and collinear geometries. Near-zone limiting forms are found to agree with earlier works in which static inter-particle couplings were used.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗