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At least 199 records · Page 11

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NASA NTRS2012

SAR Polarimetry

Radar Scattering includes: Surface Characteristics, Geometric Properties, Dielectric Properties, Rough Surface Scattering, Geometrical Optics and Small Perturbation Method Solutions, Integral Equation Method, Magellan Image of Pancake Domes on Venus, Dickinson Impact Crater on Venus (Magellan), Lakes on Titan (Cassini Radar, Longitudinal Dunes on Titan (Cassini Radar), Rough Surface Scattering: Effect of Dielectric Constant, Vegetation Scattering, Effect of Soil Moisture. Polarimetric Radar includes: Principles of Polarimetry: Field Descriptions, Wave Polarizations: Geometrical Representations, Definition of Ellipse Orientation Angles, Scatter as Polarization Transformer, Scattering Matrix, Coordinate Systems, Scattering Matrix, Covariance Matrix, Pauli Basis and Coherency Matrix, Polarization Synthesis, Polarimeter Implementation.

radar scattering↗

DOE OSTI2014

Analysis of geometric phase effects in the quantum-classical Liouville formalism

We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic states in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Phase transformation dynamics guided alloy development for additive manufacturing

Fusion-based additive manufacturing technologies enable the fabrication of geometrically and compositionally complex parts unachievable by conventional manufacturing methods. However, the non-uniform and far-from-equilibrium heating/cooling conditions pose a significant challenge to consistently obtaining desirable phases in the as-printed parts. Here, in this study, we report a martensite stainless steel development guided by phase transformation dynamics revealed by in-situ high-speed, high-energy, high-resolution X-ray diffraction. This developed stainless steel consistently forms desired fully martensitic structure across a wide range of cooling rates (10 2 –10 7 °C/s), which enables direct printing of parts with fully martensitic structure. The as-printed material exhibits a yield strength of 1157 ± 23 MPa, comparable to its wrought counterpart after precipitation-hardening heat-treatment. The as-printed property is attributed to the fully martensitic structure and the fine precipitates formed during the intrinsic heat treatment in additive manufacturing. The phase transformation dynamics guided alloy development strategy demonstrated here opens the path for developing reliable, high-performance alloys specific for additive manufacturing.

17–4 PH stainless steel↗

DOE OSTI2013

Isomorphism in Fluid Phase Diagrams: Kulinskii Transformations Related to the Acentric Factor

For a wide class of molecular fluids, the temperature-density phase diagrams exhibit two prominent generic properties: a nearly linear locus, termed the Zeno line, along which the compressibility factor, Z = P/rho RT = 1 (same as an ideal gas), and the widely arching border of the vapor-liquid coexistence region, termed the binodal curve, with gas and liquid branches meeting at the critical point. The Zeno and binodal loci have been known for more than a century, yet only during the past two decades were striking empirical correlations between them recognized. Recently, Kulinskii introduced a remarkably simple projective transformation, wherein the linearity of the Zeno line and its relation to the binodal curve are geometrical consequences of an approximate isomorphism of the fluid with a venerable theoretical model, the lattice gas (equivalent to the Ising spin model). Here we show the Kulinskii transformation is significantly improved in accuracy and scope by using as input, in place of the lattice gas, the original van der Waals equation or simulation results for the Lennard-Jones potential. Moreover, the key parameters in these transformations can be expressed in terms of the acentric factor, introduced by Pitzer to extend corresponding states.

Wei, Q↗

DOE OSTI2015

The Meshing Complexity of a Solid: An Introduction

This paper explores potential methods for characterizing the meshing complexity of solid geometry. While numerous metrics exist to measure the quality of the finite element, there are currently no metrics that measure the quality of a solid with respect to its meshing complexity. The meshing complexity of a solid is defined by how difficult it is to generate a valid finite element mesh for a given solid. There are many variables that affect meshing complexity. This paper seeks to discuss methods that are decoupled from more subjective variables such as user expertise and software maturity, and it will focus on methods that describe the topological and geometric aspects of a solid. It will present techniques based on: medial axis transformation, wavelets, curvature, proximity, intersection, heuristic topology search, and the measurement of space (volume/area/length) and will analyze their suitability as meshing complexity metrics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

TU-FG-209-05: Demonstration of the Line Focus Principle Using the Generalized Measured-Relative Object Detectability (GM-ROD) Metric

Purpose: Demonstrate and quantify the augmented resolution due to focalspot size decrease in images acquired on the anode side of the field, for both small and medium (0.3 and 0.6mm) focal-spot sizes using the experimental task-based GM-ROD metric. Theoretical calculations have shown that a medium focal-spot can achieve the resolution of a small focal-spot if acquired with a tilted anode, effectively providing a higher-output small focal-spot. Methods: The MAF-CMOS (micro-angiographic fluoroscopic complementary-metal-oxide semiconductor) detector (75µm pixel pitch) imaged two copper wire segments of different diameter and a pipeline stent at the central axis and on the anode side of the beam, achieved by tilting the x-ray C-arm (Toshiba Infinix) to 6° and realigning the detector with the perpendicular ray to correct for x-ray obliquity. The relative gain in resolution was determined using the GM-ROD metric, which compares images on the basis of the Fourier transform of the image and the measured NNPS. To emphasize the geometric unsharpness, images were acquired at a magnification of two. Results: Images acquired on the anode side were compared to those acquired on the central axis with the same target-area focal-spot to consider the effect of an angled tube, and for all three objects the advantage of the smaller effective focal-spot was clear, showing a maximum improvement of 36% in GM-ROD. The images obtained with the small focal-spot at the central axis were compared to those of the medium focal-spot at the anode side and, for all objects, the relative performance was comparable. Conclusion: For three objects, the GM-ROD demonstrated the advantage of the anode side focal-spot. The comparable performance of the medium focal-spot on the anode side will allow for a high-output small focal-spot; a necessity in endovascular image-guided interventions. Partial support from an NIH grant R01EB002873 and an equipment grant from Toshiba Medical Systems Corp.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1993

A Novel Optical/digital Processing System for Pattern Recognition

This paper describes two processing algorithms that can be implemented optically: the Radon transform and angular correlation. These two algorithms can be combined in one optical processor to extract all the basic geometric and amplitude features from objects embedded in video imagery. We show that the internal amplitude structure of objects is recovered by the Radon transform, which is a well-known result, but, in addition, we show simulation results that calculate angular correlation, a simple but unique algorithm that extracts object boundaries from suitably threshold images from which length, width, area, aspect ratio, and orientation can be derived. In addition to circumventing scale and rotation distortions, these simulations indicate that the features derived from the angular correlation algorithm are relatively insensitive to tracking shifts and image noise. Some optical architecture concepts, including one based on micro-optical lenslet arrays, have been developed to implement these algorithms. Simulation test and evaluation using simple synthetic object data will be described, including results of a study that uses object boundaries (derivable from angular correlation) to classify simple objects using a neural network.

Boone, Bradley G.↗

NASA NTRS2002

Three-Dimensional Postbuckling Analysis of Curved Beams

Presented here is a method of solving highly flexible curved beam undergoing huge static or quasi-static deformations. A geometrically exact beam theory based on the use of Jaumann stresses and strains and exact coordinate transformation is presented in terms of 17 first-order ordinary differential equations, and a multiple shooting method is used to solve the corresponding nonlinear two-point boundary value problems. The geometrically exact beam theory accounts far large rotations, large displacements, initial curvatures, extensionality, and transverse shear strains. Four examples are used to demonstrate this method, including a rotating clamped-free beam under the influence of gravity and centrifugal forces, an L-frame subjected to an in-plane tip load, a circular arch subjected to a concentrated load, and a clamped-hinged helical spring subjected to an axial displacement. Results show that the combination of the multiple shooting method and the geometrically exact beam theory works very well. Moreover, the obtained numerically exact solutions can be used to verify the accuracy of nonlinear finite element codes for nonlinear analysis of complex structures.

Pai, P. Frank↗

DOE OSTI2018

A hybrid of fractal image coding and fractal dimension for an efficient retrieval method

Fractal image coding (FIC) based on the inverse problem of an iterated function system plays an essential role in several areas of computer graphics and in many other interesting applications. Through FIC, an image can be transformed to compressed representative parameters and be expressed in a simple geometric way. Dealing with digital images requires storing a large number of images in databases, where searching such databases is time consuming. Therefore, finding a new technique that facilitates this task is a challenge that has received increasing attention from many researchers. In this study, a new method that combines fractal dimension (FD) which is an indicator of image complexity with the FIC scheme is proposed. Classifying images in databases according to their texture by using FD helps reduce the retrieval time of query images. The validity of the proposed method is evaluated using geosciences images. Result shows that the method is computationally attractive.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Mechanochemical spinodal decomposition: a phenomenological theory of phase transformations in multi-component, crystalline solids

Here, we present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes diffusional phase transformations that are accompanied by symmetry-breaking structural changes of the crystal unit cell and reveals the importance of a mechanochemical spinodal, defined as the region in strain-composition space, where the free-energy density function is non-convex. The approach is relevant to phase transformations wherein the structural order parameters can be expressed as linear combinations of strains relative to a high-symmetry reference crystal. The governing equations describing mechanochemical spinodal decomposition are variationally derived from a free-energy density function that accounts for interfacial energy via gradients of the rapidly varying strain and composition fields. A robust computational framework for treating the coupled, higher-order diffusion and nonlinear strain gradient elasticity problems is presented. Because the local strains in an inhomogeneous, transforming microstructure can be finite, the elasticity problem must account for geometric nonlinearity. An evaluation of available experimental phase diagrams and first-principles free energies suggests that mechanochemical spinodal decomposition should occur in metal hydrides such as ZrH 2-2c . The rich physics that ensues is explored in several numerical examples in two and three dimensions, and the relevance of the mechanism is discussed in the context of important electrode materials for Li-ion batteries and high-temperature ceramics.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Experimental verification of a bridge-shaped, nonlinear vibration energy harvester

This paper reports a comprehensive modeling and experimental characterization of a bridge shaped nonlinear energy harvester. A doubly clamped beam at large deflection requires stretching strain in addition to the bending strain to be geometrically compatible, which stiffens the beam as the beam deflects and transforms the dynamics to a nonlinear regime. The Duffing mode non-linear resonance widens the frequency bandwidth significantly at higher frequencies than the linear resonant frequency. The modeling includes a nonlinear measure of strain coupled with piezoelectric constitutive equations which end up in nonlinear coupling terms in the equations of motion. The main result supports that the power generation is bounded by the mechanical damping for both linear and nonlinear harvesters. Modeling also shows the power generation is over a wider bandwidth in the nonlinear case. A prototype is manufactured and tested to measure the power generation at different load resistances and acceleration amplitudes. The prototype shows a nonlinear behavior with well-matched experimental data to the modeling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Protein folds vs. protein folding: Differing questions, different challenges

We report protein fold prediction using deep-learning artificial intelligence (AI) has transformed the field of protein structure prediction. By combining physical and geometric constraints—and especially patterns extracted from the Protein Data Bank —these machine learning algorithms can predict protein structures at or near atomic resolution and do so in seconds. Today, these computational methods have now solved more than 200 million protein structures, which are accessible from the AlphaFold Protein Structure Database. This accomplishment seems all the more remarkable because few thought it possible or saw it coming. Deservedly, deep-learning AI was named Science magazine’s 2021 “breakthrough of the year”. Clearly, deep-learning AI represents a major advance in protein fold prediction.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1980

Mesh generation using algebraic techniques

The solution of partial differential equations which describe physical phenomena by the use of coordinate transformations is described. The constraints of the problems are stated in geometric terms and include boundary constraints, uniformity constraints, and internal constraints. Algebraic mesh generations are very satisfactory for these constraints.

Eiseman, P. R.↗

NASA NTRS2018

Modified Geometric Truncation of the Scattering Phase Function

Phase function of light scattering on large atmospheric particles has very strong peak in forward direction constituting a challenge for accurate numerical calculations of radiance required in remote sensing problems. Scaling transformation replaces original phase function with a sum of the delta function and a new regular smooth phase function. Geometric truncation is one of the ways to construct such a smooth function. The replacement phase function coincides with the original one outside the forward cone and preserves the asymmetry parameter. It has discontinuity at the cone. Another simple functional form of the replacement phase function within the cone is suggested. It enables continuity and allows for a number of modifications. Three of them are considered in this study: preserving asymmetry parameter, providing continuity of the 1st derivative of the phase function, and preserving mean scattering angle. Yet another problem addressed in this study is objective selection of the width of the forward cone. That angle affects truncation fraction and values of the phase function within the cone. A heuristic approach providing unambiguous criterion of selection of the truncation angle is proposed. The approach has easy numerical implementation. Suggested modifications were tested on cloud phase function using discrete ordinates and Monte Carlo methods. It was shown that the modifications provide better accuracy of the radiance computation compare to the original geometric truncation with discrete ordinates while continuous derivative approach provides significant gain in computer time with Monte Carlo simulations.

Alexander Radkevich↗

DOE OSTI2017

Geometric scalings for the electrostatically driven helical plasma state

A new plasma state has been investigated [Akcay et al., Phys. Plasmas 24, 052503 (2017)], with a uniform applied axial magnetic field in a periodic cylinder of length $L=2πR$, driven by helical electrodes. The drive is single helicity, depending on $mθ+kz=mθ-nζ$, where $ζ=z/R$ and $k=-n/R$. For strong $(m,n)=(1,1)$ drive, the state was found to have a strong axial mean current density, with a mean-field safety factor $q_0(r)$ just above the pitch of the electrodes $m/n=1$ in the interior. This state has possible applications to DC electrical transformers and tailoring of the current profile in tokamaks. Here, we study two geometric issues of interest for these applications: (i) scaling of properties with the plasma length or aspect ratio and (ii) behavior for different helicities, specifically $(m,n)=(1,n)$ for n > and $(m,n)=(2,1)$.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Elucidating the geometric and electronic structure of a fully sulfided analog of an Anderson polyoxomolybdate cluster

The catalytic activity of transition metal sulfide (TMS) clusters in small molecule activation, redox transformations, and charge transfer has inspired the design of novel TMS-based materials for energy-related catalysis and chemical applications. Polyoxometalates (POMs), known for their structural diversity, can in principle be transformed into TMS clusters; however, fully sulfided analogs are rarely isolated, likely due to the strong tendency of uncapped TMS clusters to agglomerate. Here, we report the geometric and electronic structure of a capping ligand-free fully sulfided analog of heptamolybdate Anderson POM [Mo VI 7 O 24 ] 6− , synthesized through the sulfidation of a nanoconfined POM secured within a porous Zr-metal organic framework (NU-1000). A combined computational and experimental analysis indicates that the sulfided counterpart of the Anderson POM is geometrically and electronically more sophisticated than the parent POM. Comparison of experimental pair distribution function (PDF) data with computational simulations confirms that, unlike the oxygen-only [Mo VI 7 O 24 ] 6− cluster, the [Mo IV 7 (μ 3 -S) 6 (μ 2 -SH) 6 (S 2 ) 6 ] 2− polythiometalate (PTM) exhibits diverse sulfur anions (S 2− , HS − , S 2 2− ). DFT calculations indicate that H 2 S acts as a reducing agent, and together with terminal disulfide (S 2 2− ) ligands in the PTM structure, facilitates the complete reduction of all seven Mo VI centers in the parent POM to Mo IV . These findings are supported by X-ray photoelectron spectroscopy (XPS), which confirms exclusive Mo IV , and elemental analysis, which shows quantitative sulfur incorporation. Difference envelope density (DED) mapping further reveals that the PTM clusters are spatially confined within the MOF pores, preventing agglomeration and preserving molecular integrity.

Rabbani, S. M. Gulam [The Ohio State University, C↗

DOE OSTI2014

Quantum structure emerging from the transformation design of the Dirac equation

It is shown that a quantum structure can be created by a set of chosen constraint conditions that emerge from the transformation design of the Dirac equation in general relativity. As an explanation, the constraints that cause novel bound states with the quantization rule of a 2D Coulomb system are presented. The discussion in this paper provides a systematic way to look for constraints that generate a required quantization rule. -- Highlights: •We perform the transformation design of space and time for spin-1/2 matter waves. •A quantum rule could naturally emerge as constraints imposed on the Dirac equation itself. •New fermion states share the quantum spectrum of a 2D Coulomb system. •Transformation design uncovers a new exact solvable model. •A quantum spectrum can be created by a geometric structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Probing the meta-stability of oxide core/shell nanoparticle systems at atomic resolution

Hybrid nanoparticles allow exploiting the interplay of confinement, proximity between different materials and interfacial effects. However, to harness their properties an in-depth understanding of their (meta)stability and interfacial characteristics is crucial. This is especially the case of nanosystems based on functional oxides working under reducing conditions, which may severely impact their properties. Here, the in-situ electron-induced selective reduction of Mn 3 O 4 to MnO is studied in magnetic Fe 3 O 4 /Mn 3 O 4 and Mn 3 O 4 /Fe 3 O 4 core/shell nanoparticles by means of high-resolution scanning transmission electron microscopy combined with electron energy-loss spectroscopy. Such in-situ transformation allows mimicking the actual processes in operando environments. A multi-stage image analysis using geometric phase analysis combined with particle image velocity enables direct monitoring of the relationship between structure, chemical composition and strain relaxation during the Mn 3 O 4 reduction. In the case of Fe 3 O 4 /Mn 3 O 4 core/shell the transformation occurs smoothly without the formation of defects. However, for the inverse Mn 3 O 4 /Fe 3 O 4 core/shell configuration the electron beam-induced transformation occurs in different stages that include redox reactions and void formation followed by strain field relaxation via formation of defects. This study highlights the relevance of understanding the local dynamics responsible for changes in the particle composition in order to control stability and, ultimately, macroscopic functionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗