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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Microstructural Characterization of Alloy 617 Crept into the Tertiary Regime

The microstructure of Alloy 617 was characterized following creep tests interrupted at total creep strains ranging from 2-20%. A range of creep temperatures (750-1000oC) and initial creep stresses (10-145 MPa) produced creep test durations ranging from 1 to 5800 hours. Image analysis of optical photomicrographs on longitudinal sections of the gage length was used to document the fraction of creep porosity as a function of creep parameters. Creep porosity was negligible below tertiary creep strains of 10% and increased with tertiary creep strain, thereafter. For a given temperature and total creep strain, creep porosity increased with decreasing creep stress. Creep porosity increased linearly with duration of the creep experiment. TEM performed on the gage sections did not reveal significant creep cavity formation on grain boundaries at the sub-micron level. It was concluded that the onset of tertiary creep did not result from creep cavitation and more likely arose due to the formation of low energy dislocation substructures with increasing tertiary strain.

Alloy 617↗
DOE OSTI2020

Accuracy limitations for composition analysis by XPS using relative peak intensities: LiF as an example

Although precision in XPS can be excellent, allowing small changes to be easily observed, obtaining accurate absolute elemental composition of a solid material from relative peak intensities is generally much more problematical, involving many factors: background removal; differing analysis depths at different photoelectron kinetic energies; possible angular distribution effects; calibration of the instrument transmission function, and variations of the distribution of the photoelectron intensity between “main” peaks (those usually used for analysis) and associated substructure following the main peak, as a function of the chemical bonding of the elements concerned. The last item, coupled with the use of photoionization cross-sections and/or relative sensitivity factors, is the major subject of this paper, though it is necessary to consider the other items also, using LiF as a test case. The results show that the above issues, which are relevant to differing degrees in most XPS analyses, present significant challenges to highly accurate XPS quantification.

Brundle, Christopher R.↗
DOE OSTI2012

A Bayesian nonrigid registration method to enhance intraoperative target definition in image-guided prostate procedures through uncertainty characterization

Purpose: This study introduces a probabilistic nonrigid registration method for use in image-guided prostate brachytherapy. Intraoperative imaging for prostate procedures, usually transrectal ultrasound (TRUS), is typically inferior to diagnostic-quality imaging of the pelvis such as endorectal magnetic resonance imaging (MRI). MR images contain superior detail of the prostate boundaries and provide substructure features not otherwise visible. Previous efforts to register diagnostic prostate images with the intraoperative coordinate system have been deterministic and did not offer a measure of the registration uncertainty. The authors developed a Bayesian registration method to estimate the posterior distribution on deformations and provide a case-specific measure of the associated registration uncertainty. Methods: The authors adapted a biomechanical-based probabilistic nonrigid method to register diagnostic to intraoperative images by aligning a physician's segmentations of the prostate in the two images. The posterior distribution was characterized with a Markov Chain Monte Carlo method; the maximum a posteriori deformation and the associated uncertainty were estimated from the collection of deformation samples drawn from the posterior distribution. The authors validated the registration method using a dataset created from ten patients with MRI-guided prostate biopsies who had both diagnostic and intraprocedural 3 Tesla MRI scans. The accuracy and precision of the estimated posterior distribution on deformations were evaluated from two predictive distance distributions: between the deformed central zone-peripheral zone (CZ-PZ) interface and the physician-labeled interface, and based on physician-defined landmarks. Geometric margins on the registration of the prostate's peripheral zone were determined from the posterior predictive distance to the CZ-PZ interface separately for the base, mid-gland, and apical regions of the prostate. Results: The authors observed variation in the shape and volume of the segmented prostate in diagnostic and intraprocedural images. The probabilistic method allowed us to convey registration results in terms of posterior distributions, with the dispersion providing a patient-specific estimate of the registration uncertainty. The median of the predictive distance distribution between the deformed prostate boundary and the segmented boundary was Less-Than-Or-Slanted-Equal-To 3 mm (95th percentiles within {+-}4 mm) for all ten patients. The accuracy and precision of the internal deformation was evaluated by comparing the posterior predictive distance distribution for the CZ-PZ interface for each patient, with the median distance ranging from -0.6 to 2.4 mm. Posterior predictive distances between naturally occurring landmarks showed registration errors of Less-Than-Or-Slanted-Equal-To 5 mm in any direction. The uncertainty was not a global measure, but instead was local and varied throughout the registration region. Registration uncertainties were largest in the apical region of the prostate. Conclusions: Using a Bayesian nonrigid registration method, the authors determined the posterior distribution on deformations between diagnostic and intraprocedural MR images and quantified the uncertainty in the registration results. The feasibility of this approach was tested and results were positive. The probabilistic framework allows us to evaluate both patient-specific and location-specific estimates of the uncertainty in the registration result. Although the framework was tested on MR-guided procedures, the preliminary results suggest that it may be applied to TRUS-guided procedures as well, where the addition of diagnostic MR information may have a larger impact on target definition and clinical guidance.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-405: Development of a Rapid Cardiac Contouring Tool Using Landmark-Driven Modeling

Purpose: This study aims to develop a tool to rapidly delineate cardiac substructures for use in dosimetry for large-scale clinical trial or epidemiological investigations. The goal is to produce a system that can semi-automatically delineate nine cardiac structures to a reasonable accuracy within a couple of minutes. Methods: The cardiac contouring tool employs a Most Similar Atlas method, where a selection criterion is used to pre-select the most similar model to the patient from a library of pre-defined atlases. Sixty contrast-enhanced cardiac computed tomography angiography (CTA) scans (30 male and 30 female) were manually contoured to serve as the atlas library. For each CTA 12 structures were delineated. Kabsch algorithm was used to compute the optimum rotation and translation matrices between the patient and atlas. Minimum root mean squared distance between the patient and atlas after transformation was used to select the most-similar atlas. An initial study using 10 CTA sets was performed to assess system feasibility. Leave-one patient out method was performed, and fit criteria were calculated to evaluate the fit accuracy compared to manual contours. Results: For the pilot study, mean dice indices of .895 were achieved for the whole heart, .867 for the ventricles, and .802 for the atria. In addition, mean distance was measured via the chord length distribution (CLD) between ground truth and the atlas structures for the four coronary arteries. The mean CLD for all coronary arteries was below 14mm, with the left circumflex artery showing the best agreement (7.08mm). Conclusion: The cardiac contouring tool is able to delineate cardiac structures with reasonable accuracy in less than 90 seconds. Pilot data indicates that the system is able to delineate the whole heart and ventricles within a reasonable accuracy using even a limited library. We are extending the atlas sets to 60 adult males and females in total.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

New science in plain sight: Citizen scientists lead to the discovery of optical structure in the upper atmosphere

A glowing ribbon of purple light running east-west in the night sky has recently been observed by citizen scientists. This narrow, subauroral, visible structure, distinct from the traditional auroral oval, was largely undocumented in the scientific literature and little was known about its formation. Amateur photo sequences showed colors distinctly different from common types of aurora and occasionally indicated magnetic field–aligned substructures. Observations from the Swarm satellite as it crossed the arc have revealed an unusual level of electron temperature enhancement and density depletion, along with a strong westward ion flow, indicating that a pronounced subauroral ion drift (SAID) is associated with this structure. These early results suggest the arc is an optical manifestation of SAID, presenting new opportunities for investigation of the dynamic SAID signatures from the ground. On the basis of the measured ion properties and original citizen science name, we propose to identify this arc as a Strong Thermal Emission Velocity Enhancement (STEVE).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

iPTF16geu: A multiply imaged, gravitationally lensed type Ia supernova

We report the discovery of a multiply imaged, gravitationally lensed type Ia supernova, iPTF16geu (SN 2016geu), at redshift z = 0.409. This phenomenon was identified because the light from the stellar explosion was magnified more than 50 times by the curvature of space around matter in an intervening galaxy.We used high-spatial-resolution observations to resolve four images of the lensed supernova, approximately 0.3 arc seconds from the center of the foreground galaxy. The observations probe a physical scale of ~1 kiloparsec, smaller than is typical in other studies of extragalactic gravitational lensing. The large magnification and symmetric image configuration imply close alignment between the lines of sight to the supernova and to the lens. In conclusion, the relative magnifications of the four images provide evidence for substructures in the lensing galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

Cluster self-organization of intermetallic systems: Quasi-spherical nanocluster precursors with internal Friauf polyhedra (A-172) and icosahedra (B-137) in the Li{sub 19}Na{sub 8}Ba{sub 15} (hP842) crystal structure

A combinatorial and topological analysis of Li{sub 19}Na{sub 8}Ba{sub 15} (hP842, a = 20 A, c = 93 A, V = 33552 A{sup 3}, P3-bar) has been performed using computer methods (the TOPOS program package). Two types of crystal-forming quasi-spherical nanoclusters about 20 A in diameter with internal Friauf polyhedra (A-172) and icosahedra (B-137) have been established by the complete decomposition of the 3D factor graph of the structure into cluster substructures. Each type of nanoclusters forms close-packed 2D layers 3{sup 6}, which alternate along the c axis. The B-137 and A-172 nanoclusters are composed of three layers and have shell compositions (1 + 12 + 32 + 92) and (1 + 16 + 59 + 103) with local symmetries 3 and 3-bar, respectively; they were revealed for the first time in crystal structures as cluster precursors. The icosahedral B-137 nanocluster contains a 104-atom quasicrystal approximant (Samson cluster).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2010

New method for computer analysis of complex intermetallic compounds and nanocluster model of the samson phase Cd{sub 3}Cu{sub 4}

A new method is proposed for the computer analysis of crystal structures of complex intermetallic compounds (with more than 1000 atoms per unit cell) using a developed algorithm of the complete decomposition of the 3D graph of the structure into nanocluster substructures. This method has been implemented in the TOPOS software package and approved successfully in an analysis of the complex Cu{sub 3}Cd{sub 4} structure (Samson phase). Cu{sub 3}Cd{sub 4} structure models were used to establish a structural relationship between nanoclusters in this intermetallic compound and nanoclusters in other complex crystal structures: ZrZn{sub 22}, Ru{sub 7}Mg{sub 44}, NaCd{sub 2}, and Mg{sub 2}Al{sub 3}.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Computer modeling of self-assembly of the crystal structure of zeolite Na{sub 384}[Al{sub 384}Si{sub 384}O{sub 1536}] (H{sub 2}O){sub 422} (LTN, cF4080) from suprapolyhedral cluster precursors AB{sub 2} (A-K{sub 48}, B-K{sub 24})

Combinatorial and topological analyses and a simulation of the self-assembly of zeolite crystal structure Na{sub 384}Al{sub 384}Si{sub 384}O{sub 1536} {center_dot} 422H{sub 2}O (LTN, sp. gr. Fd3 bar) have been performed using computer methods (TOPOS program package). A cubic cell with the parameters a = 36.95 Angstrom-Sign and V = 50 449 Angstrom-Sign {sup 3} contains 768 framework-forming AlO{sub 4}- and SiO{sub 4} tetrahedra (T tetrahedra). The method of complete expansion of a 3D factor graph in nonintersecting cluster substructures in the tetrahedral T framework was used to reveal nanocluster precursors: A composed of 48 T tetrahedra (A-K{sub 48}) and B composed of 24 T tetrahedra (B-K{sub 24}). The nanocluster precursors A and B correspond to the polyhedral T clusters (tiles) 48T-grc and 24T-toc; they are involved in the matrix self-assembly of the crystal structure within the supracluster AB{sub 2}. The centers of clusters A and B occupy the positions of Mg and Cu atoms in the Laves net AB{sub 2} = MgCu{sub 2}; i.e., the zeolite structure is a suprapolyhedral analog of an intermetallic compound. The self-assembly code of a 3D structure from complementary bound nanocluster precursors is completely reconstuctured in the following form: supracluster {yields} primary chain {yields} microlayer {yields} microframework {yields} ...framework. The localization of the Na{sup +} template cations in the 6T- and 8T rings of nanocluster precursors A and B and Na{sup +} spacer cations in the 28T-ltn tile with the formation of tetrahedral configuration and in the center of 6-ring, which arises as a result of bonding two B nanoclusters, is established.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Features of bicrystal growth during the directional crystallization of metal melts

The factors responsible for the formation of different configurations of boundaries between adjacent crystallites during their growth from melt by Bridgman and Czochralski methods have been considered by an of example Fe–20 wt % Ga alloy and Ni bicrystals. It is found that the configuration of intercrystallite boundary is related to the features of crystallite growth, caused by the strained state of intercrystallite and interphase (crystal–melt) boundaries, the difference in the linear thermal expansion coefficients of the crystallite boundaries and bulk, and the shape (geometry) of the bicrystal cross section. It is suggested that the strained state of boundaries and the formation of substructure in crystallites during directional crystallization from metal melt are significantly affected by their deformation under the melt weight.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Transition micromagnetic structures in asymmetric vortexlike domain walls (Static solutions and dynamic reconstructions)

The possible types of transition structures with a three-dimensional magnetization distribution over regions in the vortex asymmetric domain walls that exist in magnetically uniaxial soft magnetic films with in-plane anisotropy are studied by computer simulation in terms of a micromagnetic approach. It is shown that the possible structure types include both the type of vertical Bloch lines that was discussed earlier in other works and new types, namely, singular (Bloch) points and clusters consisting of vertical Bloch lines and Bloch points. The spatial configurations of the transition structures are calculated and their topological properties are found. The numerical simulation of the dynamics of closely spaced substructure regions reveals various scenarios of their interaction, including annihilation accompanied by energy release and the excitation of nonlinear waves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Resummation with Wilson lines off the light cone

I review the resummation formalism for organizing large logarithms in perturbative expansion of collinear subprocesses through the variation of Wilson lines off the light cone. A master equation is derived, which involves the evolution kernel resulting from this variation. It is then demonstrated that all the known single- and double-logarithm summations for a parton distribution function or a transverse-momentum-dependent parton distribution can be reproduced from the master equation by applying appropriate soft-gluon approximations to the evolution kernel. Moreover, jet substructures, information which is crucial for particle identification at the Large Hadron Collider and usually acquired from event generators, can also be calculated in this formalism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Controlled Growth of one-dimensional zinc oxide nanostructures in the pulsed electrodeposition mode

Zinc oxide nanostructures are objects of study in the field of optoelectronics, solar power engineering, nanosensorics, and catalysis. For the purpose of the controlled growth of one-dimensional submicrometer zinc oxide structures in the pulsed electrodeposition mode, the effect of the pulse electrolysis parameters on the morphology of ZnO layers, their optical properties, and structural and substructural characteristics is determined using X-ray diffraction, optical spectrophotometry, and atomic-force microscopy. The possibility of fabricating arrays of ZnO nanowires with different geometrical shapes, perpendicular to the substrate surface, by varying the frequency of cathode-substrate potential pulses is shown.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Stacking faults and mechanisms strain-induced transformations of hcp metals (Ti, Mg) during mechanical activation in liquid hydrocarbons

The evolution of the structure and substructure of metals Ti and Mg with hexagonal close-packed (hcp) lattice is studied during their mechanical activation in a planetary ball mill in liquid hydrocarbons (toluene, n-heptane) and with additions of carbon materials (graphite, fullerite, nanotubes) by X-ray diffraction, scanning electron microscopy, and chemical analysis. The temperature behavior and hydrogen-accumulating properties of mechanocomposites are studied. During mechanical activation of Ti and Mg, liquid hydrocarbons decay, metastable nanocrystalline titanium carbohydride Ti(C,H){sub x} and magnesium hydride β-MgH{sub 2} are formed, respectively. The Ti(C,H){sub x} and MgH{sub 2} formation mechanisms during mechanical activation are deformation ones and are associated with stacking faults accumulation, and the formation of face-centered cubic (fcc) packing of atoms. Metastable Ti(C,H)x decays at a temperature of 550°C, the partial reverse transformation fcc → hcp occurs. The crystalline defect accumulation (nanograin boundaries, stacking faults), hydrocarbon destruction, and mechanocomposite formation leads to the enhancement of subsequent magnesium hydrogenation in the Sieverts reactor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Crystallographic Features of the α-Phase Structure in Hafnium and Hafnium–Titanium Alloys

The structure of a hafnium crystal undergoing β → α (bcc → hcp) polymorphic transformation upon gradual cooling and the structure of Hf{sub 55}Ti{sub 45} and Hf{sub 30}Ti{sub 70} alloys formed under various kinetic conditions of polymorphic transformation are studied. The structure of the α phase in cast hafnium is shown to consist of lath crystals grouped into packets. The misorientations between separate laths in a packet are less than 1°. The Hf–Ti alloys in the cast state exhibit a mixed structure consisting of α-phase crystals of several morphological types. A structure of packet martensite is observed in the Hf–Ti alloys after quenching. Each packet includes laths of several crystallographic orientations. There is no regular alternation of differently orientated laths in the packet. The same set of α-phase orientations within an initial β-phase grain is observed independently of the cooling rate of the Hf–Ti alloys upon β → α polymorphic transformation. The misorientation of substructural elements within an α-phase crystal in the Hf–Ti alloys is ~5° for the cast state and ~2.2° after quenching.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Models of $J/\varPsi$ photo-production reactions on the nucleon

The J/Ψ photo-production reactions on the nucleon can provide information on the roles of gluons in determining the J/Ψ-nucleon (J/Ψ-N) interactions and the structure of the nucleon. The information on the J/Ψ-N interactions is needed to test lattice QCD (LQCD) calculations and to understand the nucleon resonances such as N*(P c ) recently reported by the LHCb Collaboration. In addition, it is also needed to investigate the production of nuclei with hidden charms and to extract the gluon distributions in nuclei. The main purpose of this article is to review six models of the γ+p→J/Ψ+p reaction which have been and can be applied to analyze the data from Thomas Jefferson National Accelerator Facility (JLab). Here, the formulae for each model are given and used to obtain the results to show the extent to which the available data can be described. The models presented include the Pomeron-exchange model of Donnachie and Landshoff (Pom-DL) and its extensions to include J/Ψ-N potentials extracted from LQCD (Pom-pot) and to also use the constituent quark model (CQM) to account for the quark substructure of J/Ψ (Pom-CQM). The other three models are developed from applying the perturbative QCD approach to calculate the two-gluon exchange using the generalized parton distribution (GPD) of the nucleon (GPD-based), two- and three-gluon exchanges using the parton distribution of the nucleon (2g+3g), and the exchanges of scalar (0 ++ ) and tensor (2 ++ ) glueballs within the holographic formulation (holog). The results of investigating the excitation of the nucleon resonances N*(P c ) in the γ+p→J/Ψ+p reactions are also given. We demonstrate that the differences between these six models can be unambiguously distinguished and the N* can be better studied by using the forthcoming JLab data at large |t| and at energies very near the J/Ψ production threshold. Possible improvements of the considered models are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Relativistic Hartree–Fock chiral Lagrangians with confinement, nucleon finite size and short-range effects

A relativistic Hartree–Fock Lagrangian including a chiral potential and nucleon polarisation is investigated in hopes of providing a better description of dense nuclear matter. Here, we fully consider the contribution of the exchange Fock term to the energy and the self-energies, and in addition we investigate the nucleon’s compositeness and finite size effects (confinement and form factors) and short range correlations modeled by a Jastrow ansatz. These effects are added step by step, such that their impact on the dense matter properties can be analysed in details. The parameters of the model are adjusted to reproduce fundamental properties related to the QCD theory at low energy, such as the chiral symmetry breaking, nucleon’s quark substructure and Lattice-QCD predictions, as well as two empirical properties at saturation: the binding energy and the density. All other empirical parameters, e.g., symmetry energy and its slope, incompressibility modulus, effective mass, as well as spin–isospin Landau–Midgal parameter are predictions of the models and can be used to evaluate the gain of the different approximation schemes in describing nuclear properties. Bayesian statistics is employed in order to propagate parameter uncertainties into predictions for the nuclear matter properties. We show that the splitting of the effective Landau mass is largely influenced by the value of the ρ T coupling, and we show that the fit to the symmetry energy, which induces an increase of the coupling constant g ρ by about 20–25% compared to the case where it is fixed by the quark model, provides a very good EoS compatible with the present nuclear physics knowledge.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

A study of nuclear structure of light nuclei at the electron–ion collider

Understanding the substructure of atomic nuclei, particularly the clustering of nucleons inside them, is essential for comprehending nuclear dynamics. Various cluster configurations can emerge depending on excitation energy, the number and types of core clusters, and the presence of excess neutrons. Despite the prevalence of tightly bound cluster formations in low-lying states, understanding the correlation between clusters and their formation mechanisms remains incomplete. This exploring study investigates nuclear clustering at the electron–ion collider (EIC) using simulations based on the modified BeAGLE model. By simulating collisions involving e+ 9 Be, e+ 12 C, and e+ 16 O nuclei, we find that the average energy of particles and the system size ratios of particles at forward rapidity exhibit sensitivity to alpha clustering and its various configurations. These findings offer valuable insights into the dynamics of nuclear clustering and its implications for future studies at the EIC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗