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DOE OSTI2021

Comparing crystal structures with symmetry and geometry

Abstract Measuring the similarity between two arbitrary crystal structures is a common challenge in crystallography and materials science. Although there are an infinite number of ways to mathematically relate two crystal structures, only a few are physically meaningful. Here we introduce both a geometry-based and a symmetry-adapted similarity metric to compare crystal structures. Using crystal symmetry and combinatorial optimization we describe an algorithm to arrive at the structural relationship that minimizes these similarity metrics across all possible maps between any pair of crystal structures. The approach makes it possible to (i) identify pairs of crystal structures that are identical, (ii) quantitatively measure the similarity between crystal structures, and (iii) find and rank structural transformation pathways between any pair of crystal structures. We discuss the advantages of using the symmetry-adapted cost metric over the geometric cost. Finally, we show that all known structural transformation pathways between common crystal structures are recovered with the mapping algorithm. The methodology presented in this study will be of value to efforts that seek to catalogue crystal structures, identify structural transformation pathways or prune large first-principles datasets used to parameterize on-lattice Hamiltonians.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Planar Transformer With Asymmetric Integrated Leakage Inductance Using Horizontal Air Gap

This article presents a novel planar-based transformer winding and core structure with controllable leakage inductance generation for integrated magnetics applications. As a result of limitations in integrated magnetics from the literature, a new approach is proposed utilizing semi-interleaved windings and controllable leakage via a leakage flux core leg featuring a horizontal air gap. Here, the proposed transformer design is analyzed via detailed reluctance modeling to determine closed-form equations for the magnetizing and asymmetrically distributed leakage inductances. Next, a genetic-algorithm-based multiobjective design optimization problem is developed, seeking to minimize the core and winding losses of the proposed transformer subject to a set of parametric and geometric constraints in a dc-ac dual-active-bridge topology for microinverter applications. The optimization was extended to include other integrated magnetic structures from the literature, where it is determined that the proposed transformer is superior from the perspectives of efficiency, footprint area, and parasitic capacitance. Based on the results of the optimization analysis, two designs with theoretical transformer California Energy Commission (CEC) efficiency drops (i.e., CEC efficiency reduction specifically due to the transformer loss mechanisms) of 1.19% and 0.83% were fabricated and evaluated for electrical and thermal performance in the proposed 40 V, 400 W microinverter.

42 ENGINEERING↗

DOE OSTI2016

Geometry of the scalar sector

The S-matrix of a quantum field theory is unchanged by field redefinitions, and so it only depends on geometric quantities such as the curvature of field space. Whether the Higgs multiplet transforms linearly or non-linearly under electroweak symmetry is a subtle question since one can make a coordinate change to convert a field that transforms linearly into one that transforms non-linearly. Renormalizability of the Standard Model (SM) does not depend on the choice of scalar fields or whether the scalar fields transform linearly or non-linearly under the gauge group, but only on the geometric requirement that the scalar field manifold M is flat. Standard Model Effective Field Theory (SMEFT) and Higgs Effective Field Theory (HEFT) have curved M, since they parametrize deviations from the flat SM case. We show that the HEFT Lagrangian can be written in SMEFT form if and only ifMhas a SU(2) L U(1) Y invariant fixed point. Experimental observables in HEFT depend on local geometric invariants of M such as sectional curvatures, which are of order 1/Λ 2 , where Λ is the EFT scale. We give explicit expressions for these quantities in terms of the structure constants for a general G → H symmetry breaking pattern. The one-loop radiative correction in HEFT is determined using a covariant expansion which preserves manifest invariance of M under coordinate redefinitions. The formula for the radiative correction is simple when written in terms of the curvature of M and the gauge curvature field strengths. We also extend the CCWZ formalism to non-compact groups, and generalize the HEFT curvature computation to the case of multiple singlet scalar fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1975

Basic research and data analysis for the earth and ocean physics applications program and for the National Geodetic Satellite program

Data acquisition using single image and seven image data processing is used to provide a precise and accurate geometric description of the earth's surface. Transformation parameters and network distortions are determined, Sea slope along the continental boundaries of the U.S. and earth rotation are examined, along with close grid geodynamic satellite system. Data are derived for a mathematical description of the earth's gravitational field; time variations are determined for geometry of the ocean surface, the solid earth, gravity field, and other geophysical parameters.

Source record↗

NASA NTRS1993

Techniques and Applications of SAR interferometry for ERS-1: Topographic Mapping, Change Detection, and Slope Measurement

SAR (Synthetic Aperture Radar) interferometry allows the measurement of high resolution topography of terrain from repeat orbit SAR data sets obtained by the ERS-1 AMI (Active Microwave Instrument). The system parameters which affect the accuracy of the topographic maps are errors in determination of the interferometric baseline, non parallel orbit tracks, decorrelation caused by baseline length, thermal noise, and surface change. Surface change can be observed in the interferograms either through decorrelation of the interferometric phase, or coherent phase shifts caused by locally uniform surface displacements. Phase gradient maps can be derived directly from the complex interferograms and can be transformed into surface slopes mapped onto a geometrically corrected grid.

Charles L Werner↗

NASA NTRS2004

Position Sensor Integral with a Linear Actuator

A noncontact position sensor has been designed for use with a specific two-dimensional linear electromagnetic actuator. To minimize the bulk and weight added by the sensor, the sensor has been made an integral part of the actuator: that is to say, parts of the actuator structure and circuitry are used for sensing as well as for varying position. The actuator (see Figure 1) includes a C-shaped permanent magnet and an armature that is approximately centered in the magnet gap. The intended function of the actuator is to cause the permanent magnet to translate to, and/or remain at, commanded x and y coordinates, relative to the armature. In addition, some incidental relative motion along the z axis is tolerated but not controlled. The sensor is required to measure the x and y displacements from a nominal central position and to be relatively insensitive to z displacement. The armature contains two sets of electromagnet windings oriented perpendicularly to each other and electrically excited in such a manner as to generate forces in the x,y plane to produce the required motion. Small sensor excitation coils are mounted on the pole tips of the permanent magnet. These coils are excited with a sine wave at a frequency of 20 kHz. This excitation is transformer-coupled to the armature windings. The geometric arrangement of the excitation coils and armature windings is such that the amplitudes of the 20-kHz voltages induced in the armature windings vary nearly linearly with x and y displacements and do not vary significantly with small z displacements. Because the frequency of 20 kHz is much greater than the maximum frequency characteristic of the actuation signals applied to the armature windings, there is no appreciable interference between actuator and sensor functions of the armature windings.

Howard, David E.↗

NASA NTRS2012

Computational Optimization of a Natural Laminar Flow Experimental Wing Glove

Computational optimization of a natural laminar flow experimental wing glove that is mounted on a business jet is presented and discussed. The process of designing a laminar flow wing glove starts with creating a two-dimensional optimized airfoil and then lofting it into a three-dimensional wing glove section. The airfoil design process does not consider the three dimensional flow effects such as cross flow due wing sweep as well as engine and body interference. Therefore, once an initial glove geometry is created from the airfoil, the three dimensional wing glove has to be optimized to ensure that the desired extent of laminar flow is maintained over the entire glove. TRANAIR, a non-linear full potential solver with a coupled boundary layer code was used as the main tool in the design and optimization process of the three-dimensional glove shape. The optimization process uses the Class-Shape-Transformation method to perturb the geometry with geometric constraints that allow for a 2-in clearance from the main wing. The three-dimensional glove shape was optimized with the objective of having a spanwise uniform pressure distribution that matches the optimized two-dimensional pressure distribution as closely as possible. Results show that with the appropriate inputs, the optimizer is able to match the two dimensional pressure distributions practically across the entire span of the wing glove. This allows for the experiment to have a much higher probability of having a large extent of natural laminar flow in flight.

Hartshom, Fletcher↗

DOE OSTI2019

Manipulation of magnetostructural transition and realization of prominent multifunctional magnetoresponsive properties in NiCoMnIn alloys

Promising multifunctional magnetoresponsive effects such as magnetoresistance, magnetostrain, and the magnetocaloric effect have recently been extensively studied in Ni-Mn-based metamagnetic shape memory alloys, but large reversible magnetoresponsive effects are usually obtained under high magnetic fields, which is an obstacle for practical applications. In this work, through manipulating magnetostructural transition, we achieved large reversible magnetoresponsive effects under a relatively low magnetic field of 3 T in a Ni-Co-Mn-In alloy. By systematically tuning the Mn/In ratio and Co substitution, an optimum composition Ni 49 Co 3 Mn 34 In 14 with a low thermal hysteresis (8 K), a narrow transformation interval (7 K) and a high sensitivity of transformation temperature to field change (6KT -1 ), was obtained. Good geometric compatibility between austenite and martensite was revealed by in situ synchrotron high-energy x-ray diffraction experiment, which accounts for the low hysteresis and narrow transformation interval. A reversible transformation between pure austenite and pure martensite is induced by a relatively low field of 3 T, which was directly evidenced by in situ neutron diffraction experiments. As a result, a large reversible magnetocaloric effect with entropy change of 16.5Jkg -1 K -1 , a large reversible magnetostrain of 0.26%, and a large reversible magnetoresistance of 60%, under a relatively low field of 3 T, were simultaneously achieved. These reversible magnetoresponsive effects are comparable to the maximum reversible values obtained under high fields in other Ni-Mn-based alloys, but the magnetic field we applied is much lower. This research may guide the design of metamagnetic shape memory alloys with low-field-induced magnetoresponsive properties for magnetic refrigeration, magnetic sensing, and magnetic recording applications.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Time domain version of the uniform GTD

The uniform geometrical theory of diffraction (UTD) solutions can be inversely transformed analytically to obtain a time-domain version of the UTD. The time-domain solutions are valid in the early time period where an observation time t is close to the time after the arrival of the first diffracted wavefront. Comparisons with GTD (geometrical theory of diffraction) and also with available rigorous results reveal that the UTD solutions are accurate for substantial early time periods while the GTD results are valid for very early time periods.

Veruttipong, Thavath Watt↗

NASA NTRS1982

Evaluation of SLAR and simulated thematic mapper MSS data for forest cover mapping using computer-aided analysis techniques

Kershaw County, South Carolina was selected as the study site for analyzing simulated thematic mapper MSS data and dual-polarized X-band synthetic aperture radar (SAR) data. The impact of the improved spatial and spectral characteristics of the LANDSAT D thematic mapper data on computer aided analysis for forest cover type mapping was examined as well as the value of synthetic aperture radar data for differentiating forest and other cover types. The utility of pattern recognition techniques for analyzing SAR data was assessed. Topics covered include: (1) collection and of TMS and reference data; (2) reformatting, geometric and radiometric rectification, and spatial resolution degradation of TMS data; (3) development of training statistics and test data sets; (4) evaluation of different numbers and combinations of wavelength bands on classification performance; (5) comparison among three classification algorithms; and (6) the effectiveness of the principal component transformation in data analysis. The collection, digitization, reformatting, and geometric adjustment of SAR data are also discussed. Image interpretation results and classification results are presented.

Hoffer, R. M.↗

DOE OSTI2022

Strain-tuning of transport gaps and semiconductor-to-conductor phase transition in twinned graphene

We show, through the use of the Landauer-Büttiker (LB) formalism and a tight-binding (TB) model, that the transport gap of twinned graphene can be tuned through the application of a uniaxial strain in the direction normal to the twin band. Remarkably, we find that the transport gap E gap bears a square-root dependence on the control parameter ϵ x – ϵ c , where ϵ x is the applied uniaxial strain and ϵ c ~ 19% is a critical strain. We interpret this dependence as evidence of criticality underlying a continuous phase transition, with ϵ x – ϵ c playing the role of control parameter and the transport gap E gap playing the role of order parameter. For ϵ x < ϵ c , the transport gap is non-zero and the material is semiconductor, whereas for ϵ x < ϵ c the transport gap closes to zero and the material becomes conductor, which evinces a semiconductor-to-conductor phase transition. The computed critical exponent of 1/2 places the transition in the meanfield universality class, which enables far-reaching analogies with other systems in the same class.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Phase transitions in high-purity zirconium under dynamic compression

In this work, we present results from ramp compression experiments on high-purity Zr that show the α → ω, ω → β, as well as reverse β → ω phase transitions. Simulations with a multi-phase equation of state and phenomenological kinetic model match the experimental wave profiles well. While the dynamic α ! ! transition occurs ~ 9 GPa above the equilibrium phase boundary, the ω → β transition occurs within 0.9 GPa of equilibrium. We estimate that the dynamic compression path intersects the equilibrium ω – β line at P = 29:2 GPa, and T = 490 K. The thermodynamic path in the interior of the sample lies ~ 100 K above the isentrope at the point of the ω → β transition. Approximately half of this dissipative temperature rise is due to plastic work, and half is due to the non-equilibrium α → ω transition. The inferred rate of the α → ω transition is several orders of magnitude higher than that measured in dynamic diamond anvil cell (DDAC) experiments in an overlapping pressure range. We discuss a model for the influence of shear stress on the nucleation rate. We find that the shear stress s ji has the same effect on the nucleation rate as a pressure increase δP = cϵ ij s ji /(ΔV/V); where c is a geometric constant ~ 1 and, ϵ ij are the transformation shear strains. The small fractional volume change ΔV/V ≈ 0:1 at the α → ω transition amplifies the effect of shear stress, and we estimate that for this case δP is in the range of several GPa. Correcting our transition rate to a hydrostatic rate brings it approximately into line with the DDAC results, suggesting that shear stress plays a significant role in the transformation rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Exploiting the Shape of CAN Data for In-Vehicle Intrusion Detection

Modern vehicles rely on scores of electronic control units (ECUs) broadcasting messages over a few controller area networks (CANs). Bereft of security features, in-vehicle CANs are exposed to cyber manipulation and multiple researches have proved viable, life-threatening cyber attacks. Complicating the issue, CAN messages lack a common mapping of functions to commands, so packets are observable but not easily decipherable. We present a transformational approach to CAN IDS that exploits the geometric properties of CAN data to inform two novel detectors - one based on distance from a learned, lower dimensional manifold and the other on discontinuities of the manifold over time. Proof-of-concept tests are presented by implementing a potential attack approach on a driving vehicle. The initial results suggest that (1) the first detector requires additional refinement but does hold promise; (2) the second detector gives a clear, strong indicator of the attack; and (3) the algorithms keep pace with high-speed CAN messages. As our approach is data-driven it provides a vehicle-agnostic IDS that eliminates the need to reverse engineer CAN messages and can be ported to an after-market plugin.

Tyree, Zachariah↗

DOE OSTI2021

Shear Pleasure: The Structure, Formation, and Thermodynamics of Crystallographic Shear Phases

A renaissance of interest in crystallographic shear structures and our recent work in this remarkable class of materials inspired this review. We first summarize the geometrical aspects of shear plane formation and possible transformations in ReO 3 , rutile, and perovskite-based structures. Then we provide a mechanistic overview of crystallographic shear formation, plane ordering, and propagation. Next we describe the energetics of planar defect formation and interaction, equilibria between point and extended defect structures, and thermodynamic stability of shear compounds. Finally, we emphasize the remaining challenges and propose future directions in this exciting area.

Materials Science↗

NASA NTRS1984

Secondary pattern computation of an arbitrarily shaped main reflector

The secondary pattern of a perfectly conducting offset main reflector being illuminated by a point feed at an arbitrary location was studied. The method of analysis is based upon the application of the Fast Fourier Transform (FFT) to the aperture fields obtained using geometrical optics (GO) and geometrical theory of diffraction (GTD). Key features of the reflector surface is completely arbitrary, the incident field from the feed is most general with arbitrary polarization and location, and the edge diffraction is calculated by either UAT or by UTD. Comparison of this technique for an offset parabolic reflector with the Jacobi-Bessel and Fourier-Bessel techniques shows good agreement. Near field, far field, and scan data of a large reflector are presented.

Lam, P. T. C.↗

NASA NTRS1985

Secondary pattern computation of an arbitrarily shaped main reflector

The secondary pattern of a perfectly conducting offset main reflector being illuminated by a point feed at an arbitrary location is studied. The method of analysis is based upon the application of the Fast Fourier Transform (FFT) to the aperture fields obtained using geometrical optics (GO) and geometrical theory of diffraction (GTD). Key features of the present work are (1) the reflector surface is completely arbitrary, (2) the incident field from the feed is most general with arbitrary polarization and location, and (3) the edge diffraction is calculated by either UAT or by UTD. Comparison of this technique for an offset parabolic reflector with the Jacobi-Bessel and Fourier-Bessel techniques shows good agreement. Near field, far field, and scan data of a large refelctor are presented.

Lee, S. W.↗

NASA NTRS1985

Secondary pattern computation of an offset reflector antenna

Reflector antennas are widely used in communications satellite systems because they provide high gain at low cost. In analyzing reflector antennas the computation of the secondary pattern is the main concern. A computer program for calculating the secondary pattern of an offset reflector has been developed and implemented at the NASA Lewis Research Center. The theoretical foundation for this program is based on the use of geometrical optics to describe the fields from the feed to the reflector surface and to the aperture plane. The resulting aperture field distribution is then transformed to the far-field zone by the fast Fourier transform algorithm. Comparing this technique with other well-known techniques (the geometrical theory of diffraction, physical optics (Jacobi-Bessel), etc.) shows good agreement for large (diameter of 100 lambda or greater) reflector antennas.

Acosta, R. J.↗

DOE OSTI2022

Topological monopole's gauge field‐induced anomalous Hall effect in artificial honeycomb lattice

Abstract Vortex magnetic structure in artificial honeycomb lattice provides a unique platform to explore emergent properties due to the additional Berry phase curvature imparted by chiral magnetization to circulating electrons via direct interaction. We argue that while the perpendicularly aligned magnetic component leads to the quantized flux of monopole at the center of the Berry sphere, the in‐plane vortex circulation of magnetization gives rise to unexpected nontrivial topological Berry phase due to the gauge field transformation. The unprecedented effect signifies the importance of vector potential in multiply connected geometrical systems. Experimental confirmations to proposed hypotheses are obtained from Hall resistance measurements on permalloy honeycomb lattice. Investigation of the topological gauge transformation due to the in‐plane chirality reveals anomalous quasi‐oscillatory behavior in Hall resistance as a function of perpendicular field. The oscillatory nature of is owed to the fluctuation in equilibrium current as a function of Fermi wave‐vector , envisaged under the proposed new formulation in this article. Our synergistic approach suggests that artificially tunable nanostructured material provides new vista to the exploration of topological phenomena of strong fundamental importance. Key Points Demonstration of gauge field flux due to vortex magnetism. Anomalous Hall effect in magnetic honeycomb lattice. Topological monopole‐induced magnetic flux.

Guo, Jiasen↗