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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Gluing. Part I. Integrals and symmetries

We review some aspects of the cutting and gluing law in local quantum field theory (QFT) and study it from a new point of view. In particular, we emphasize the description of gluing by a path integral over a space of polarized boundary conditions, which are given by leaves of some Lagrangian foliation in the phase space. We think of this path integral as a non-local (d – 1)-dimensional gluing theory associated to the parent local d-dimensional QFT. This is a novel point of view paving the way for applications of the standard QFT techniques (that do not rely on locality) to the gluing theory. We describe various properties of this procedure and spell out conditions under which symmetries of the parent theory lead to symmetries of the gluing theory. The purpose of this paper is to set up a playground for the companion paper where these techniques are applied to obtain new results in supersymmetric theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology

Semiempirical methods like density functional tight-binding (DFTB) allow extensive phase space sampling, making it possible to generate free energy surfaces of complex reactions in condensed-phase environments. Such a high efficiency often comes at the cost of reduced accuracy, which may be improved by developing a specific reaction parametrization (SRP) for the particular molecular system. Thiol–disulfide exchange is a nucleophilic substitution reaction that occurs in a large class of proteins. Its proper description requires a high-level ab initio method, while DFT-GAA and hybrid functionals were shown to be inadequate, and so is DFTB due to its DFT-GGA descent. We develop an SRP for thiol–disulfide exchange based on an artificial neural network (ANN) implementation in the DFTB+ software and compare its performance to that of a standard SRP approach applied to DFTB. Furthermore, as an application, we use both new DFTB-SRP as components of a QM/MM scheme to investigate thiol–disulfide exchange in two molecular complexes: a solvated model system and a blood protein. Demonstrating the strengths of the methodology, highly accurate free energy surfaces are generated at a low cost, as the augmentation of DFTB with an ANN only adds a small computational overhead.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Electrical control of topological 3Q state in intercalated van der Waals antiferromagnet Co x -TaS 2

Van der Waals (vdW) magnets have opened a new avenue of opportunities encompassing various interesting phases. Co 1/3 TaS 2 –an intercalated metallic vdW antiferromagnet–is one of the latest additions to this growing list of materials due to its unique topologically nontrivial triple-Q (3Q) ground state. This 3Q tetrahedral structure, which critically depends on the Co content, yields the highest-density Skyrmion lattice with scalar spin chirality, resulting in a noticeable anomalous Hall effect. In this work, we demonstrate control of this topological phase via ionic gating. Using four Co x TaS 2 devices with different Co compositions, we show that ionic gating can cover the entire 3Q topological phase and reveal the nature of the thermodynamically inaccessible phase space. Another striking finding in our data is the existence of an adiabatic discontinuity in the phase boundary between the 3Q and 1Q phases. Our work constitutes one of the first examples of electrical control of scalar spin chirality using an antiferromagnetic metal.

Magnetic properties and materials↗
DOE OSTI2021

Chiral kinetic theory of anomalous transport induced by torsion

In Weyl semimetals subjected to torsion, there are two different kinds of chirality: (i) The (coordinate-space) shape of the twisted crystal is chiral and (ii) the momentum space contains chiral quasiparticles. Here we construct a general kinetic theory of anomalous transport using the phase space (coordinate and momentum spaces combined) Berry curvature induced by torsion in Weyl systems. We describe how torsion generates the chiral chemical potential and thus leads to the chiral magnetic effect (CME) in the presence of a background magnetic field. We propose to measure the CME current induced by the torsion as a way to detect the anomalous coupling between the coordinate-space and momentum-space chiralities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Generation and Control of Self-Organized Nonlinear Kinetic Structures in High Energy Density Plasmas in the Presence of Intense Magnetic Fields and Ultrashort Laser Pulses

In the project we investigated mechanisms to sculpt phase space by controlling plasma instabilities. We found that linear theory, which applies in the initial growth phase of an instability, allows for initial conditions that can suppress instabilities. This provides a possible mechanism to release the energy available to an instability on demand. We developed various computational techniques that can reduce computational cost of simulations while maintaining or improving physical fidelity. We considered the Buneman instability in the presence of a ponderomotively driven plasma wave to examine the interplay between an instability and steady-state plasma response.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A Data-driven, Physics-based Transport Model of Solar Energetic Particles Accelerated by Coronal Mass Ejection Shocks Propagating through the Solar Coronal and Heliospheric Magnetic Fields

Abstract In an effort to develop computational tools for predicting radiation hazards from solar energetic particles (SEPs), we have created a data-driven physics-based particle transport model to calculate the injection, acceleration, and propagation of SEPs from coronal mass ejection (CME) shocks traversing through the solar corona and interplanetary magnetic fields. The model runs on an input of corona and heliospheric plasma and magnetic field configuration from a magnetohydrodynamic model driven by solar photospheric magnetic field measurements superposed with observed CME shocks determined from coronagraph images. SEP source particles are injected at the shock using the result of diffusive shock acceleration formulation from a characteristic obliquity-dependent injection from a heated solar wind thermal tail population. With several advanced computation techniques involving stochastic simulation and integration, the model obtains the particle intensity at any location in interplanetary space through the rigorous solution to the time-dependent 5D focus transport equation in the phase space that includes perpendicular diffusion. We apply the model to the 2011 November 3 CME event. The calculation results reproduce multispacecraft SEP observations at Earth and STEREO-B reasonably well without normalization of particle flux. The observations at STEREO-A can be reproduced by rescaling particle energy or modified energy dependence of particle diffusion coefficients. This circumsolar SEP event seen by spacecraft at Earth, STEREO-A, and STEREO-B at widely separated longitudes can be explained by diffusive shock acceleration by a single CME shock with a moderate speed.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

On the topological stability of magnetostatic equilibria

The topological stability of MHD equilibria is investigated by exploring the formal analogy, in the ideal MHD limit, between the topology of magnetic lines of force in coordinate space and the topology of integral surfaces of one- and two-dimensional Hamiltonian systems in phase space. It is demonstrated that in an astrophysical setting, symmetric magnetostatic equilibria satisfying the ideal MHD equations are exceptional. The principal result of the study is that previous infinitesimal perturbation theory calculations can be generalized to include finite-amplitude and symmetry-breaking effects. The effect of the ergodicity of perturbed symmetric equilibria on heat dispersal in magnetically dominated plasmas is discussed.

Tsinganos, K. C.↗
NASA NTRS2007

Symmetry, Statistics and Structure in MHD Turbulence

Here, we examine homogeneous MHD turbulence in terms of truncated Fourier series. The ideal MHD equations and the associated statistical theory of absolute equilibrium ensembles are symmetric under P, C and T. However, the presence of invariant helicities, which are pseudoscalars under P and C, dynamically breaks this symmetry. This occurs because the surface of constant energy in phase space has disjoint parts, called components: while ensemble averages are taken over all components, a dynamical phase trajectory is confined to only one component. As the Birkhoff-Khinchin theorem tells us, ideal MHD turbulence is thus non-ergodic. This non-ergodicity manifests itself in low-wave number Fourier modes that have large mean values (while absolute ensemble theory predicts mean values of zero). Therefore, we have coherent structure in ideal MHD turbulence. The level of non-ergodicity and amount of energy contained in the associated coherent structure depends on the values of the helicities, as well as on the presence, or not, of a mean magnetic field and/or overall rotation. In addition to the well known cross and magnetic helicities, we also present a new invariant, which we call the parallel helicity, since it occurs when mean field and rotation axis are aligned. The question of applicability of these results to real (i.e., dissipative) MHD turbulence is also examined. Several long-time numerical simulations on a 64(exp 3) grid are given as examples. It is seen that coherent structure begins to form before decay dominates over nonlinearity. The connection of these results with inverse spectral cascades, selective decay, and magnetic dynamos is also discussed.

Shebalin, John V.↗
NASA NTRS2023

A Data-driven, Physics-based Transport Model of Solar Energetic Particles Accelerated by Coronal Mass Ejection Shocks Propagating through the Solar Coronal and Heliospheric Magnetic Fields

In an effort to develop computational tools for predicting radiation hazards from solar energetic particles (SEPs), we have created a data-driven physics-based particle transport model to calculate the injection, acceleration, and propagation of SEPs from coronal mass ejection (CME) shocks traversing through the solar corona and interplanetary magnetic fields. The model runs on an input of corona and heliospheric plasma and magnetic field configuration from a magnetohydrodynamic model driven by solar photospheric magnetic field measurements superposed with observed CME shocks determined from coronagraph images. SEP source particles are injected at the shock using the result of diffusive shock acceleration formulation from a characteristic obliquity-dependent injection from a heated solar wind thermal tail population. With several advanced computation techniques involving stochastic simulation and integration, the model obtains the particle intensity at any location in interplanetary space through the rigorous solution to the time-dependent 5D focus transport equation in the phase space that includes perpendicular diffusion. We apply the model to the 2011 November 3 CME event. The calculation results reproduce multispacecraft SEP observations at Earth and STEREO-B reasonably well without normalization of particle flux. The observations at STEREO-A can be reproduced by rescaling particle energy or modified energy dependence of particle diffusion coefficients. This circumsolar SEP event seen by spacecraft at Earth, STEREO-A, and STEREO-B at widely separated longitudes can be explained by diffusive shock acceleration by a single CME shock with a moderate speed.

Solar energetic particles↗
DOE OSTI2018

An Experimental Investigation of Fuel Staging In A Model Gas Turbine Combustor

Modern gas turbine engines are typically operated in a lean-premixed configuration in order to meet emissions requirements. Lean operation makes gas turbines more susceptible to combustion instability, which can cause catastrophic hardware failure if left unchecked. The spatially uneven distribution of fuel in a gas turbine combustor, known as fuel staging, is an effective way of suppressing instabilities. This dissertation examines the effect of both steady-state and transient fuel-staging in a model gas turbine combustor. First, the steady-state effect of fuel staging on nominally unstable operating conditions is examined. At 200 degrees Celsius and a bulk flow velocity of 26 m/s, the combustor undergoes self-excited instabilities when the equivalence ratio is between φ = 0.70 and φ = 0.74 when all nozzles are fueled equally. These instabilities are suppressed when the center nozzle equivalence ratio is increased to φ Staging = 0.85 and the outer nozzle equivalence ratio maintained at φ = 0.70 or when the global equivalence ratio is maintained at φ = 0.70 by increasing the center nozzle equivalence ratio to φ Staging = 0.74 and decreasing the outer nozzle equivalence ratio to φ Staging = 0.69. The staged p' RMS amplitudes are found to decrease with increasing equivalence ratio and the damping rates found to increase with increasing equivalence ratio. Next, axisymmetric fuel staging transients are conducted valve opening/closing timescales of 1, 16, 58, 4,000, and 10,000 ms, and equivalence ratios of φ staging = 0.75, 0.80, 0.85. It should be noted that these valve opening/closing timescales, referred to as τ Transient , differ from the actual fuel convection timescale that are summarized in Table 5.2. It is found that the combustor pressure fluctuation at the end of the transient strongly depends on staging equivalence ratio but not on τ Transient . Increasing the staging equivalence ratio decreased the staged- stable combustor pressure amplitude, similarly to the steady-state results. The staged-stable damping rate trends are insensitive to to τ Transient and increased with increasing staging equivalence ratio. The timescale of the transition, τ, is found to be sensitive to both τ Transient and the staging equivalence ratio. For a Modern gas turbine engines are typically operated in a lean-premixed configuration in order to meet emissions requirements. Lean operation makes gas turbines more susceptible to combustion instability, which can cause catastrophic hardware failure if left unchecked. The spatially uneven distribution of fuel in a gas turbine combustor, known as fuel staging, is an effective way of suppressing instabilities. This dissertation examines the effect of both steady-state and transient fuel-staging in a model gas turbine combustor. First, the steady-state effect of fuel staging on nominally unstable operating conditions is examined. At 200 degrees Celsius and a bulk flow velocity of 26 m/s, the combustor undergoes self-excited instabilities when the equivalence ratio is between φ = 0.70 and φ = 0.74 when all nozzles are fueled equally. These instabilities are suppressed when the center nozzle equivalence ratio is increased to φ Staging = 0.85 and the outer nozzle equivalence ratio maintained at φ = 0.70 or when the global equivalence ratio is maintained at φ = 0.70 by increasing the center nozzle equivalence ratio to φ Staging = 0.74 and decreasing the outer nozzle equivalence ratio to φ Staging = 0.69. The staged p' RMS amplitudes are found to decrease with increasing equivalence ratio and the damping rates found to increase with increasing equivalence ratio. Next, axisymmetric fuel staging transients are conducted valve opening/closing timescales of 1, 16, 58, 4,000, and 10,000 ms, and equivalence ratios of φ staging = 0.75, 0.80, 0.85. It should be noted that these valve opening/closing timescales, referred to as τ Transient , differ from the actual fuel convection timescale that are summarized in Table 5.2. It is found that the combustor pressure fluctuation at the end of the transient strongly depends on staging equivalence ratio but not on τ Transient . Increasing the staging equivalence ratio decreased the staged-stable combustor pressure amplitude, similarly to the steady-state results. The staged-stable damping rate trends are insensitive to to τ Transient and increased with increasing staging equivalence ratio. The timescale of the transition, τ, is found to be sensitive to both τ Transient and the staging equivalence ratio. For a Modern gas turbine engines are typically operated in a lean-premixed configuration in order to meet emissions requirements. Lean operation makes gas turbines more susceptible to combustion instability, which can cause catastrophic hardware failure if left unchecked. The spatially uneven distribution of fuel in a gas turbine combustor, known as fuel staging, is an effective way of suppressing instabilities. This dissertation examines the effect of both steady-state and transient fuel-staging in a model gas turbine combustor. First, the steady-state effect of fuel staging on nominally unstable operating conditions is examined. At 200 degrees Celsius and a bulk flow velocity of 26 m/s, the combustor undergoes self-excited instabilities when the equivalence ratio is between φ = 0.70 and φ = 0.74 when all nozzles are fueled equally. These instabilities are suppressed when the center nozzle equivalence ratio is increased to φ Staging = 0.85 and the outer nozzle equivalence ratio maintained at φ = 0.70 or when the global equivalence ratio is maintained at φ = 0.70 by increasing the center nozzle equivalence ratio to φ Staging = 0.74 and decreasing the outer nozzle equivalence ratio to φ Staging = 0.69. The staged p' RMS amplitudes are found to decrease with increasing equivalence ratio and the damping rates found to increase with increasing equivalence ratio. Next, axisymmetric fuel staging transients are conducted valve opening/closing timescales of 1, 16, 58, 4,000, and 10,000 ms, and equivalence ratios of φ staging = 0.75, 0.80, 0.85. It should be noted that these valve opening/closing timescales, referred to as τ Transient , differ from the actual fuel convection timescale that are summarized in Table 5.2. It is found that the combustor pressure fluctuation at the end of the transient strongly depends on staging equivalence ratio but not on τ Transient . Increasing the staging equivalence ratio decreased the staged- stable combustor pressure amplitude, similarly to the steady-state results. The staged-stable damping rate trends are insensitive to to τT Transient and increased with increasing staging equivalence ratio. The timescale of the transition, τ, is found to be sensitive to both τ Transient and the staging equivalence ratio. For a given τ Transient , the decay timescale decreased with increasing staging equivalence ratio. For 1, 16, and 58 ms transients, τ does not depend on τ Transient , though it does strongly depend on direction, where instability onset cases have longer and more variable τ than instability decay cases. The same dependence of τ on direction is seen for the 4,000 and 10,000 ms transients. However, unlike the short duration transients, τ does depend on τ Transient as would be expected. Phase space reconstruction shows the instability is a harmonic limit cycle with a single frequency. The instantaneous phase images shows the center region of the combustor goes out-of-phase first followed by the rest of the combustor. Finally, asymmetric fuel staging tests are conducted. It is found that non-axisymmetric staging can be as effective as axisymmetric staging, although small hardware variations between nozzles can affect the the minimum staging equivalence ratio that consistently suppresses the instability. These changes in the bifurcation equivalence ratio can make staging configurations appear less effective; however, both axisymmetric and non-axisymmetric staging configurations exhibit similar staged-stable p' RMS , damping rates, and instability transition times for equivalence ratios greater than the bifurcation equivalence ratio. Instantaneous phase images show similar instantaneous phase relationship structures in the staged nozzle (center or outer), suggesting that the instability suppression mechanism is similar in each case. This result is surprising given that the time-averaged flame shapes are very different between axisymmetric and non-axisymmetric staging configurations. The similar effectiveness of axisymmetric and non-axisymmetric staging in this geometry is attributed to the fact that the instability mode is a nominally axisymmetric plane wave. It is hypothesized that non-axisymmetric staging configurations will likely be more effective than axisymmetric staging configurations when the instability mode shape is asymmetric (such as a circumferential wave).

Culler, Wyatt↗
DOE OSTI2025

Isochronous and period-doubling diagrams for symplectic maps of the plane

Symplectic mappings of the plane serve as key models for exploring the fundamental nature of complex behavior in nonlinear systems. Central to this exploration is the effective visualization of stability regimes, which enables the interpretation of how systems evolve under varying conditions. While the area-preserving quadratic Hénon map has received significant theoretical attention, a comprehensive description of its mixed parameter-space dynamics remain lacking. This limitation arises from early attempts to reduce the full two-dimensional phase space to a one-dimensional projection, a simplification that resulted in the loss of important dynamical features. Consequently, there is a clear need for a more thorough understanding of the underlying qualitative aspects. This paper aims to address this gap by revisiting the foundational concepts of reversibility and associated symmetries, first explored in the early works of G.D. Birkhoff. We extend the original framework proposed by Hénon by adding a period-doubling diagram to his isochronous diagram, which allows to represents the system’s bifurcations and the groups of symmetric periodic orbits that emerge in typical bifurcations of the fixed point. A qualitative and quantitative explanation of the main features of the region of parameters with bounded motion is provided, along with the application of this technique to other symplectic mappings, including cases of multiple reversibility. Modern chaos indicators, such as the Reversibility Error Method (REM) and the Generalized Alignment Index (GALI), are employed to distinguish between various dynamical regimes in the mixed space of variables and parameters. These tools prove effective in differentiating regular and chaotic dynamics, as well as in identifying twistless orbits and their associated bifurcations. Additionally, we discuss the application of these methods to real-world problems, such as visualizing dynamic aperture in accelerator physics, where our findings have direct relevance.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Pro‐ L * ‐ A Probabilistic L * Mapping Tool for Ground Observations

Abstract Both ground and space observations are used extensively in the modeling of space weather processes within the Earth’s magnetosphere. In radiation belt physics modeling, one of the key phase‐space coordinates is L *, which indicates the location of the drift paths of energetic electrons. Global magnetic field models allow a subset of locations on the ground (mainly subauroral) to be mapped along field lines to a location in space and transformed into L *, provided that the initial ground location maps to a closed drift path. This allows observations from ground, or low‐altitude space‐based platforms to be mapped into space in order to inform radiation belt modeling. Many data‐based magnetic field models exist; however, these models can significantly disagree on mapped L * values for a single point on the ground, during both quiet times and storms. We present a state of the art probabilistic L * mapping tool, Pro‐ L *, which produces probability distributions for L * corresponding to a given ground location. Pro‐ L * has been calculated for a high resolution magnetic latitude by magnetic local time grid in the Earth’s Northern Hemisphere. We have developed the probabilistic model using 11 years of L * calculations for seven widely used magnetic field models. Usage of the tool is highlighted for both event studies and statistical models, and we demonstrate a number of potential applications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Comparison of the high-pressure behavior of the cerium oxides C e 2 O 3 and Ce O 2

We studied the high-pressure behavior of Ce 2 O 3 using angle-dispersive x-ray diffraction to 70 GPa and compared with that of CeO 2 . Up to the highest pressure Ce 2 O 3 remains in the hexagonal phase (space group 164, P ¯32/m1) typical for the lanthanide sesquioxides. We did not observe a theoretically predicted phase instability for 30 GPa. The isothermal bulk modulus and its pressure derivative for the quasihydrostatic case are B 0 = 111 ± 2 GPa, B' 0 = 4.7 ± 0.3, and for the case without pressure-transmitting medium B 0 = 104 ±4 GPa, B' 0 = 6.5 ± 0.4. Starting from ambient-pressure magnetic susceptibility measurements for both oxides in highly purified form,we find that the Ce atom in Ce 2 O 3 behaves like a trivalent Ce 3+ ion (2.57μB per Ce atom) in contrast to previously published data. Since x-ray emission spectroscopy of the Lγ (4d 3/2 → 2p 1/2 ) transition is sensitive to the 4f -electron occupancy, we also followed the high-pressure dependence of this line for both oxides up to 50 GPa. We observed no change of the respective line shape, indicating that the 4f -electron configuration is stable for both materials. We posit from this data that the 4f electrons do not drive the volume collapse of CeO 2 from the high-symmetry, low-pressure fluorite structure to the lower-symmetry orthorhombic phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Analysis of Allison Scanner Phase Portraits Using Action-Phase Coordinates

Allison scanners provide detailed information on the beam transverse phase space. An effective way for analyzing the beam distribution from these measurements is to use action-phase coordinates, where beam propagation in a linear lattice is reduced to advancing the phase. This report presents such analysis for measurements performed with a 2.1 MeV, 5 mA H⁻ beam in the MEBT of the PIP2IT test accelerator at Fermilab. In part, with the choice of calculating the Twiss parameters over the high intensity portion of the beam, the beam core is found to be phase-independent with intensity decreasing exponentially with action, while the beam tails exhibit a clear phase dependence that is stable over the beam line.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Electron Cooling Experiment for Proton Beams with Intense Space-Charge in IOTA

Electron cooling as a method of creating intense ion beams has a practical upper limit when it comes to the peak phase space density of ion beams which can be achieved in practice. We describe a new experiment to study electron cooling of 2.5 MeV protons at the intensity limit using the Integrable Optics Test Accelerator (IOTA), which is a storage ring dedicated to beam physics research at Fermilab. This system will enable the study of magnetized electron cooling of a proton beam with transverse incoherent tune shifts approaching -0.5 due to the presence of intense space-charge forces. We present an overview of the hardware design, simulations and specific experiments planned for this project.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Symplectic machine learning model for fast simulation of space-charge effects

Symplectic simulation of space-charge effects is crucial for the design and operation of high-intensity particle accelerators. Traditional methods for simulating these effects are often computationally expensive, resulting in significant overhead. In this work, we introduce a generative model based on a U-Net architecture within a generative adversarial network framework to efficiently simulate space-charge effects. The model is trained to predict the transverse multiparticle space-charge Hamiltonian, which can be physically computed using a gridless spectral method. The one-step symplectic transverse transfer map for the particles is then obtained by differentiating the predicted Hamiltonian. Benchmarking results demonstrate that this generative model achieves an order of magnitude higher computational efficiency compared to the spectral method, providing a highly efficient alternative for simulating space-charge effects with a large number of particles. By maintaining symplecticity, the model effectively preserves the phase-space structure and mitigates nonphysical errors in long-term simulations. This model has been integrated into jutrack, a novel autodifferentiable accelerator modeling code developed in the julia programming language.

Beam code development & simulation techniques↗
DOE OSTI2019

Topological Semimetal features in the Multiferroic Hexagonal Manganites

Using first-principles calculations we investigate the band structures of ferromagnetic hexagonal manganites $\mathrm{YXO_3}$ (X=V, Cr, Mn, Fe and Co) in the nonpolar nonsymmorphic $P6_3/mmc$ space group. For $\mathrm{YVO_3}$ and $\mathrm{YCrO_3}$ we find a band inversion near the Fermi energy that generates a nodal ring in the $k_z=0$ mirror plane. We perform a more detailed analysis for these compounds and predict the existence of the topological "drumhead" surface states. Finally, we briefly discuss the low-symmetry polar phases (space group $P6_3cm$) of these systems, and show they can undergo a $P6_3/mmc \rightarrow P6_3cm$ transition by condensation of soft $K_3$ and $\Gamma_2^-$ phonons. Based on our results, stabilizing these compnds in the hexagonal phase could offer a promising platform for studying the interplay of topology and multiferroicity, and the coexistence of real-space and reciprocal-space topological protection in the same phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Selective determination of grain size in the electrodeposition of nanocrystalline nickel foils

There are many synthesis methods through phase space to produce nanostructures in metals. Condensation methods with rapid solidification are extensively explored from the gas or liquid phase. In particular, electrodeposition using pulsed currents favors continuous nucleation in the processing of structures to produce free-standing sheets as well as protective coatings for surfaces. An analysis approach used to develop the method for refining the structure and surface finish for nanocrystalline gold-copper alloy coatings relates the energy in each deposition pulse to the constituent grain size that forms during growth. Application is now pursued to evaluate a select determination of the grain size for nanocrystalline nickel foils synthesized by pulsed electrodeposition. The mechanical behaviors of hardness and rate-sensitivity of strength are assessed as function of grain size.

36 MATERIALS SCIENCE↗