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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Rapid Solidification Effects in Additively Manufactured Si and SiGe Compositions

SiGe alloys have a proven track record as robust high-temperature thermoelectric materials, powering NASA missions like SNAP-10A, LES-9, and Voyager 1 and 2. Enhancing thermoelectric efficiency hinges on minimizing thermal conductivity while preserving electrical conductivity. Rapid solidification via LPBF can generate microstructural features such as subgrain cellular boundaries and twinning, which may help reduce thermal conductivity while preserving semiconducting behavior. Here, this study investigates the potential of laser powder bed fusion (LPBF) additive manufacturing to fabricate nanostructured Si and SiGe thermoelectric materials. High cooling rates (10 5 to 10 7 K/s) rates inherent to the LPBF process are conducive to forming such nanostructures. Moreover, this fabrication technique could also be suitable for fabricating complex geometries needed to achieve improved device level performance. Process mapping of commercial Si powder with irregular morphology was first performed to understand the LPBF processing behavior of this semiconductor material. Subsequent studies included in-house synthesized B-doped (p-type) Si7 8 Ge 22 spherical powder that was produced via ultrasonic atomization. Scan strategies involved multiple laser exposures to mitigate solidification cracking: a high density of >98% was achieved, but solidification cracking could not be fully eliminated. Subsequently, a high electrical resistivity (i.e., low conductivity) was observed, but the measured Seebeck coefficient, ∼230 μV/K @ 500 °C, proved that good semiconductor material was being fabricated. A subgrain cellular structure (5–10 μm) was observed as defined by Ge segregation to the intercellular boundaries. The remelting strategies helped lower the cooling rates in processing SiGe, but this still resulted in high residual stresses, which induced a remarkably high density of twins (78–95%) to accommodate the deformation. This unique grain structure offers an avenue for phonon scattering and potential improvements in thermoelectric performance.

figure of merit↗
DOE OSTI2020

Comparison of Numerical Methods for Modeling the Wave Field Effects Generated by Individual Wave Energy Converters and Multiple Converter Wave Farms

This numerical study compares the wave field generated by the spectral wave action balance code, SNL-SWAN, to the linear-wave boundary-element method (BEM) code, WAMIT. The objective of this study is to assess the performance of SNL-SWAN for modeling wave field effects produced by individual wave energy converters (WECs) and wave farms comprising multiple WECs by comparing results from SNL-SWAN with those produced by the BEM code WAMIT. BEM codes better model the physics of wave-body interactions and thus simulate a more accurate near-field wave field than spectral codes. In SNL-SWAN, the wave field’s energy extraction is modeled parametrically based on the WEC’s power curve. The comparison between SNL-SWAN and WAMIT is made over a range of incident wave conditions, including short-, medium-, and long-wavelength waves with various amounts of directional spreading, and for three WEC archetypes: a point absorber (PA), a pitching flap (PF) terminator, and a hinged raft (HR) attenuator. Individual WECs and wave farms of five WECs in various configuration were studied with qualitative comparisons made of wave height and spectra at specific locations, and quantitative comparisons of the wave fields over circular arcs around the WECs as a function of radial distance. Results from this numerical study demonstrate that in the near-field, the difference between SNL-SWAN and WAMIT is relatively large (between 20% and 50%), but in the far-field from the array the differences are minimal (between 1% and 5%). The resultant wave field generated by the two different numerical approaches is highly dependent on parameters such as: directional wave spreading, wave reflection or scattering, and the WEC’s power curve.

16 TIDAL AND WAVE POWER↗
DOE OSTI2019

Plasmonic Surface Lattice Resonances: Theory and Computation

In overview, plasmonic surface lattice resonances (Plasmonic SLRs) are mixed light-matter states emergent in a system of periodically arranged metallic nanoparticles (NPs) under the constraint that the array spacing is approximately equal to an integer multiple of the wavelength of optical frequency light divided by the index of refraction of the surrounding medium. The properties of SLRs derive from two separate physical effects; the electromagnetic (plasmonic) response of metal NPs, and the electromagnetic states (photonic cavity modes) associated with the array of NPs. Metal NPs, especially free electron metals such as silver, gold, aluminum and alkali metals, support optical-frequency electron density oscillations known as localized surface plasmons (LSPs). The high density of conduction-band electrons for these metals gives rise to plasmon excitations that strongly couple to light even for particles that are several orders of magnitude smaller than the wavelength of the excitation source. In this sense, LSPs have the remarkable ability to squeeze far-field light into intensely-localized near-electric-fields that can enhance the intensity of light by factors of ~ 10 3 or more. Moreover, due to advances in the synthesis and fabrication of NPs, the intrinsic dependence of LSPs on NP geometry, composition, and size can readily be exploited to design NPs with a wide range of optical properties. One drawback in using LSPs to enhance optical, electronic, or chemical processes is the losses introduced into the system by via dephasing and Ohmic damping - an effect which must either be tolerated or mitigated. Plasmonic SLRs enable the mitigation of loss effects through the coupling of LSPs to diffractive states that arise from arrays satisfying Bragg scattering conditions, also known as Rayleigh anomalies (RAs). Bragg modes are well known for arrays of dielectric NPs, where they funnel and trap incoming light into the plane of the lattice, defining a photonic cavity. The low losses and narrow linewidths associated with dielectric NPs produce Bragg modes that oscillate for ~ 10 3 - 10 4 cycles before decaying. These modes are of great interest to the meta-materials community but have relatively weak electric fields associated with dielectric NPs, and therefore are not used for applications where local field enhancements are needed. Plasmonic lattices, i.e., photonic crystals composed of metallic NPs, combine the characteristics from both LSPs and diffractive states, enabling both enhanced local fields and narrow linewidth excitations, in many respects providing the best advantages of both materials. Thus, by controlling the periodicity and global symmetry of the lattice, in addition to the material composition and shape of the constituent NPs, SLRs can be designed to simultaneously survive for up to 10 3 cycles while maintaining the electric field enhancements near the NP surface that have made the use of LSPs ubiquitous in nanoscience. Modern fabrication methods allow for cm 2 -scale patches of two-dimensional (2D) arrays that are composed of approximately one trillion NPs, making them effectively infinite at the nanoscale. Because of these advances, it is now possible to experimentally realize SLRs with properties that approach those predicted by idealized theoretical models. In this Account, we introduce the fundamental theory of both SLRs and SLR-mediated lasing, where the latter is one of the most important applications of plasmonic SLRs that has emerged to date. The focus of this article is on theoretical concepts for describing plasmonic SLRs and computational methods used for their study, but throughout we emphasize physical insights provided by the theory that aid in making applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Amplitude/operator basis in chiral perturbation theory

We establish a systematic construction of the on-shell amplitude/operator basis for Chiral Perturbation Theory (ChPT) in D = 4 spacetime dimensions and with an arbitrary number of flavors N f . For kinematic factors, we employ spinor-helicity variables to construct the soft blocks, which are local amplitudes satisfying the Adler’s zero condition, as well as to take into account the reduction in the kinematic basis due to the Gram determinant, which arises at O(p 10 ) when the number of multiplicity N in an amplitude becomes large: N > D. For flavor factors, we include group-theoretic relations at small N f , N f ≤ N, which decreases the flavor basis. The result is obtained by adapting the Young tensor method of constructing the operator basis for generic effective field theories to the case of non-linearly realized symmetries. Working in the massless quark limit, we present purely mesonic operators for both even- and odd-parity at O(p 6 ) and O(p 8 ) for N = 6 and arbitrary N f , and establish a direct correspondence between the amplitude basis and the operator basis. Furthermore, the redundancy due to the Gram determinant is studied at O(p 10 ) for N = 6, 8 and 10.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Role of orbital selectivity on crystal structures and electronic states in BiMnO 3 and LaMnO 3 perovskites

Correlated oxides, such as BiMnO 3 and LaMnO 3 , show a complex interplay of electronic correlations and crystal structure exhibiting multiple first-order phase transitions, some without a clear order parameter. The quantitative theoretical description of this temperature-dependent electronic-structural interplay in the vicinity of a Mott transition is still a challenge. Here we address this issue by simultaneously considering both structural and electronic degrees of freedom, within a self-consistent density functional theory with embedded dynamical mean field theory. Our results show the existence of novel electronic states characterized by the coexistence of insulating, semimetallic, and metallic orbitals. This state is in agreement with resonant x-ray scattering. Here we also show that electronic entropy plays a decisive role in both electronic and structural phase transitions. By self-consistent determination of both the electronic state and the corresponding crystal structure, we show that the temperature evolution of these phases can be quantitatively explained from first principles, thus demonstrating the predictive power of the theoretical method for both the structural and the electronic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Gold-gold luminosity increase in RHIC for a beam energy scan with colliding beam energies extending below the nominal injection energy

The Beam Energy Scan phase II (BES-II), performed in the Relativistic Heavy Ion Collider (RHIC) from 2019 to 2021, explored the phase transition between quark-gluon plasma and hadronic gas. BES-II exceeded the goal of a fourfold increase in the average luminosity over that achieved during Beam Energy Scan phase I (BES-I), at five gold beam energies: 9.8, 7.3, 5.75, 4.59, and 3.85 GeV / nucleon. This was accomplished by addressing several beam dynamics effects, including intrabeam scattering, beam-beam, space charge, beam instability, and field errors induced by superconducting magnet persistent currents. Some of these effects are especially detrimental at low energies. BES-II achievements are presented, and the measures taken to improve RHIC performance are described. These measures span the whole RHIC complex, including ion beam sources, injectors, beam lifetime improvements in RHIC, and operation with the world’s first bunched beam Low Energy RHIC electron Cooler (LEReC).

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

One-loop matrix elements of effective superstring interactions: α' -expanding loop integrands

In the low-energy effective action of string theories, non-abelian gauge interactions and supergravity are augmented by infinite towers of higher-mass-dimension operators. We propose a new method to construct one-loop matrix elements with insertions of operators D 2k F n and D 2k R n in the tree-level effective action of type-I and type-II superstrings. Inspired by ambitwistor string theories, our method is based on forward limits of moduli-space integrals using string tree-level amplitudes with two extra points, expanded in powers of the inverse string tension α'. Similar to one-loop ambitwistor computations, intermediate steps feature non-standard linearized Feynman propagators which eventually recombine to conventional quadratic propagators. With linearized propagators the loop integrand of the matrix elements obey one-loop versions of the monodromy and KLT relations. We express a variety of four- and five-point examples in terms of quadratic propagators and formulate a criterion on the underlying genus-one correlation functions that should make this recombination possible at all orders in α'. The ultraviolet divergences of the one-loop matrix elements are crosschecked against the non-separating degeneration of genus-one integrals in string amplitudes. Conversely, our results can be used as a constructive method to determine degenerations of elliptic multiple zeta values and modular graph forms at arbitrary weight.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Global bases for nonplanar loop integrands, generalized unitarity, and the double copy to all loop orders

We introduce a constructive method for defining a global loop-integrand basis for scattering amplitudes, encompassing both planar and nonplanar contributions. Our approach utilizes a graph-based framework to establish a well-defined, non-redundant basis of integrands. This basis, constructed from a chosen set of non-redundant graphs together with a selection of irreducible scalar products, provides clear insights into various physical properties of scattering amplitudes and proves useful in multiple contexts, such as on-shell Ward identities and manifesting gauge-choice independence. A key advantage of our integrand basis is its ability to streamline the generalized unitarity method. Specifically, we can directly read off the coefficients of basis elements without resorting to ansätze or solving linear equations. This novel approach allows us to lift generalized unitarity cuts — expressed as products of tree amplitudes — to loop-level integrands, facilitating the use of the tree-level double copy to generate complete gravitational integrands at any loop order. This method circumvents the difficulties in identifying complete higher-loop-order gauge-theory integrands that adhere to the color-kinematics duality. Additionally, our cut-based organization is well-suited for expansion in hard or soft limits, aiding in the exploration of ultraviolet or classical limits of scattering amplitudes.

Effective Field Theories↗
DOE OSTI2023

Tunable Laser-Plasma Amplifier (Final Report)

Exploration at the laser intensity frontier has always offered new avenues for physics and reaching beyond this frontier is a grand challenge. Present-day petawatt-class lasers provide focused intensities on target of 10 22 W/cm 2 , corresponding to electric fields of 200 TV/m, while laser-plasma amplification opens a route for focused intensities well above 10 23 W/cm 2 . Intensities in this range provide the ability to test quantum electrodynamics in the unexplored low-energy, strong-field regime where signatures for new physics may arise. The behavior of matter under such extraordinary conditions is a rich and fascinating subject, not only in its own right in fundamental plasma physics, but for the many potential applications that promise to enrich the natural sciences in the future, including compact electron-beam, ion-beam particle accelerators, and ultra-bright X-ray sources. Although laser systems are now under construction internationally to access intensities of 10 23 W/cm 2 , the current technologies used appear to be fundamentally limited to these intensities. The realization of intensities beyond 10 23 W/cm 2 using parametric amplification in plasmas promises a breakthrough in high-energy density physics. Parametric amplification using Raman scattering in a plasma could provide the enabling technology for the generation of ultra-high-power laser pulses, but a more complete understanding of the nonlinear optics of plasmas is required. There is a significant gap in well-diagnosed laser-plasma instability studies of nonlinear plasma-wave phenomena, which are critical to understand for future laser-plasma devices. To achieve an efficient laser-plasma amplifier, plasma waves must be driven to large amplitude where significant energy can be rapidly transferred from the pump to the seed over the pulse duration of the seed. Simulations suggest that this nonlinear pump depletion regime can be achieved in the “pi-pulse” amplification regime. While simulations show this optimal regime with efficient amplification, it has remained elusive in experiments and there is a growing consensus within the community that thermal effects and pump beam limitations prevent laser-plasma amplifiers from progressing through the linear regime into the nonlinear pump depletion regime. Previous experiments have been significantly limited by the laser power available at the necessary wavelengths for the seed laser; therefore, the amplification is required to start in the linear regime where it is sensitive to many deleterious effects. The enabling technology (currently unique to plasma-wave amplification in the world) at the University of Rochester is the ability to provide a seed pulse with sufficient power (4 mJ/100 fs seed) to immediately drive nonlinear plasma waves into the pi-pulse regime and to tune its wavelength to optimize the efficiency of energy transfer. This in combination with the state-of-the-art OMEGA heater beams providing multiple kilojoules in a nanosecond to sufficiently heat the plasma make this system distinct from previous studies. These heater beams will provide, for the first time in Raman amplification studies, a homogeneous electron temperature high enough to prevent pump beam propagation issues that have plagued previous experiments. These systems will provide a platform for driving electron-plasma waves into the nonlinear regime where pump depletion and pulse shortening are predicted to lead to high amplification efficiencies (>30%). The Team has made significant progress through prior support from DOE Fusion Energy Sciences [DOE Office of Science Award Number DE-SC0016253 (2016-2022)]. This includes twenty-two peer-reviewed manuscripts, one patent, ten contributed talks presented at international conferences, and research that was highlighted as invited talks at fifteen international conferences. The broader impacts of this research are evident in the support of early career scientists, two Ph.D. theses, four current graduate students, a Masters Project, two undergraduate researchers, and an underrepresented minority student hired through the California Alliance for Minority Participation who now works as a Research Engineer in the group. This research met all of the funded research objectives and the highlights from primary Raman amplification thrust of this work are discussed below and form the foundation for the proposed research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

In situ x-ray studies of growth of complex oxides on graphene by molecular beam epitaxy

Future technologies are likely to exploit flexible heterostructures exhibiting multifunctional properties constructed from multiple materials. One technique for the synthesis of such systems relies on remote epitaxy, a method employing graphene as a sacrificial layer between a crystalline substrate and an epitaxial film. The technique can be used to create single crystal heterostructures comprised of stacked epitaxial films, their properties optimized by minimizing incompatibilities between the different materials. Details regarding nucleation and growth via remote epitaxy remain unknown, however, due to the many difficulties in studying synthesis in the growth environment with atomic-scale resolution. Here, we describe an in situ synchrotron x-ray investigation of complex oxide thin film growth on graphene by molecular beam epitaxy. Phase retrieval methods were used to reconstruct the electron density profiles from x-ray crystal truncation rods measured under different growth conditions. Our in situ observations combined with post-growth spectroscopy provide a number of key insights regarding graphene in the synthesis environment and the resulting effects on the complex oxide/graphene heterostructure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A global study of hygroscopicity-driven light-scattering enhancement in the context of other in situ aerosol optical properties

The scattering and backscattering enhancement factors (ƒ(RH) and ƒ b (RH)) describe how aerosol particle light scattering and backscattering, respectively, change with relative humidity (RH). They are important parameters in estimating direct aerosol radiative forcing (DARF). In this study we use the dataset presented in Burgos et al. (2019) that compiles ƒ(RH) and ƒ b (RH) measurements at three wavelengths (i.e., 450, 550 and 700 nm) performed with tandem nephelometer systems at multiple sites around the world. We present an overview of ƒ(RH) and ƒ b (RH) based on both long-term and campaign observations from 23 sites representing a range of aerosol types. The scattering enhancement shows a strong variability from site to site, with no clear pattern with respect to the total scattering coefficient. In general, higher ƒ(RH) is observed at Arctic and marine sites, while lower values are found at urban and desert sites, although a consistent pattern as a function of site type is not observed. The backscattering enhancement ƒ b (RH) is consistently lower than ƒ(RH) at all sites, with the difference between ƒ(RH) and ƒ b (RH) increasing for aerosol with higher ƒ(RH). This is consistent with Mie theory, which predicts higher enhancement of the light scattering in the forward than in the backward direction as the particle takes up water. Our results show that the scattering enhancement is higher for PM 1 than PM 10 at most sites, which is also supported by theory due to the change in scattering efficiency with the size parameter that relates particle size and the wavelength of incident light. At marine-influenced sites this difference is enhanced when coarse particles (likely sea salt) predominate. For most sites, ƒ(RH) is observed to increase with increasing wavelength, except at sites with a known dust influence where the spectral dependence of ƒ(RH) is found to be low or even exhibit the opposite pattern. The impact of RH on aerosol properties used to calculate radiative forcing (e.g., single-scattering albedo, ω 0 , and backscattered fraction, b) is evaluated. The single-scattering albedo generally increases with RH, while b decreases. The net effect of aerosol hygroscopicity on radiative forcing efficiency (RFE) is an increase in the absolute forcing effect (negative sign) by a factor of up to 4 at RH = 90 % compared to dry conditions (RH < 40 %). Because of the scarcity of scattering enhancement measurements, an attempt was made to use other more commonly available aerosol parameters (i.e., ω 0 and scattering Ångström exponent, α sp ) to parameterize ƒ(RH). The majority of sites (75 %) showed a consistent trend with ω 0 (higher ƒ(RH = 85 %) for higher ω 0 ), while no clear pattern was observed between ƒ(RH = 85 %) and αsp. This suggests that aerosol ω 0 is more promising than α sp as a surrogate for the scattering enhancement factor, although neither parameter is ideal. Nonetheless, the qualitative relationship observed between ω 0 and ƒ(RH) could serve as a constraint on global model simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Estimating the color lifetime of energetic quarks

Using a simple geometric framework with a realistic nuclear density distribution, we fit published HERMES data to determine fundamental properties of hadronization using the nuclear medium as a spatial analyzer. Our approach uses a fit to the transverse momentum broadening observable and the hadronic multiplicity ratio; the simultaneous fit to two different observables strongly constrains the outcome. Using the known sizes of the target nuclei, we extract the color lifetime, finding a z h -dependent range of values from 2 to 8 fm/c for these data. We also extract estimates for the qˆ transport coefficient characterizing the strength of the interaction between the quark and the cold nuclear medium, finding an average value of 0.035±0.011 GeV 2 /fm. With a three-parameter model we obtain satisfactory fits to the data with a goodness-of-fit parameter χ 2 /dof of 1.1 or less. In a secondary fit of the results from that model we independently find a value for the Lund String Model string tension of 1.00±0.05 GeV/fm. We evaluated the sensitivity for extracting quark energy loss and effective in-medium hadronic cross sections using four-parameter variants of the model, finding large uncertainties in both cases. Our results suggest that hadronic interaction of forming hadrons in the nuclear medium is the primary dynamical cause of meson attenuation in the HERMES data, with quark energy loss playing a more minor role.

Electron-ion collider↗
DOE OSTI2022

Incommensurate magnetic orders and topological Hall effect in the square-net centrosymmetric EuGa 2 Al 2 system

Neutron diffraction on the centrosymmetric square-net magnet EuGa 2 Al 2 reveals multiple incommensurate magnetic states (AFM1, 2, 3) in zero field. In applied field, a new magnetic phase (A) is identified from magnetization and transport measurements, bounded by two of the μ 0 H=0 incommensurate magnetic phases (AFM1, helical, and AFM3, cycloidal) with different moment orientations. Moreover, magnetotransport measurements indicate the presence of a topological Hall effect, with maximum values centered in the A phase. Together, these results render EuGa 2 Al 2 a material with noncoplanar or topological spin texture in applied field. X-ray diffraction reveals an out-of-plane (OOP) charge density wave (CDW) below T CDW ~50 K while the magnetic propagation vector lies in plane below T N =19.5 K. Together these data point to a new route to realizing in-plane noncollinear spin textures through an OOP CDW. In turn, these noncollinear spin textures may be unstable against the formation of topological spin textures in an applied field.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Application of sulfur SAD to small crystals with a large asymmetric unit and anomalous substructure

The application of sulfur single-wavelength anomalous dispersion (S-SAD) to determine the crystal structures of macromolecules can be challenging if the asymmetric unit is large, the crystals are small, the size of the anomalously scattering sulfur structure is large and the resolution at which the anomalous signals can be accurately measured is modest. Here, as a study of such a case, approaches to the SAD phasing of orthorhombic Ric-8A crystals are described. The structure of Ric-8A was published with only a brief description of the phasing process [Zeng et al. (2019), Structure , 27 , 1137–1141]. Here, alternative approaches to determining the 40-atom sulfur substructure of the 103 kDa Ric-8A dimer that composes the asymmetric unit are explored. At the data-collection wavelength of 1.77 Å measured at the Frontier micro-focusing Macromolecular Crystallography (FMX) beamline at National Synchrotron Light Source II, the sulfur anomalous signal strength, |Δ ano |/σΔ ano ( d ′′/sig), approaches 1.4 at 3.4 Å resolution. The highly redundant, 11 000 000-reflection data set measured from 18 crystals was segmented into isomorphous clusters using BLEND in the CCP 4 program suite. Data sets within clusters or sets of clusters were scaled and merged using AIMLESS from CCP 4 or, alternatively, the phenix.scale_and_merge tool from the Phenix suite. The latter proved to be the more effective in extracting anomalous signals. The HySS tool in Phenix , SHELXC / D and PRASA as implemented in the CRANK 2 program suite were each employed to determine the sulfur substructure. All of these approaches were effective, although HySS , as a component of the phenix.autosol tool, required data from all crystals to find the positions of the sulfur atoms. Critical contributors in this case study to successful phase determination by SAD included (i) the high-flux FMX beamline, featuring helical-mode data collection and a helium-filled beam path, (ii) as recognized by many authors, a very highly redundant, multiple-crystal data set and (iii) the inclusion within that data set of data from crystals that were scanned over large ω ranges, yielding highly isomorphous and highly redundant intensity measurements.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Phonon spectrum in the spin-Peierls phase of CuGeO 3

CuGeO 3 has long been studied as a prototypical example of the spin-Peierls transition in a 𝑆 = 1/2 Heisenberg chain. Despite intensive investigation of this quasi-one-dimensional material, systematic measurements and calculations of the phonon excitations in the dimerized phase have not to date been possible, leaving certain aspects of the spin-Peierls phenomenon unresolved. We perform state-of-the-art density functional theory (DFT) calculations to compute the electronic structure and phonon dynamics in the low-temperature dimerized phase. We also perform high-resolution neutron spectroscopy to measure the full phonon spectrum over multiple Brillouin zones. We find excellent agreement between our numerical and experimental results that extend to all measurement temperatures. Notable features of our phonon spectra include a number of steeply dispersive modes, nonmonotonic dispersion features, and specific phonon anticrossings, which we relate to the mode eigenvectors. By calculating the magnetic interactions within DFT and studying the effects of different phonon modes on the superexchange paths, we discuss the possibility of observing spin-phonon hybridization effects in experiments performed both in and out of equilibrium.

density functional theory↗
DOE OSTI2025

Low-mode nonuniformity in direct-drive ICF implosions due to laser smoothing techniques employed on OMEGA

For successful laser-direct-drive inertial confinement fusion implosions, the laser irradiation must be highly uniform over the target surface. On OMEGA, multiple laser beams are used to illuminate targets quasi-uniformly. High-mode-number nonuniformities due to laser speckle on each individual beam are reduced by splitting each beam into two orthogonal polarizations (i.e., polarization smoothing, or PS) and a range of wavelengths (i.e., smoothing by spectral dispersion) that are dispersed at the target plane. However, cross-beam energy transfer (CBET) is sensitive to both the polarizations and wavelengths of the interacting beams, so the interplay between CBET and the laser-smoothing schemes results in unique intensity variation across each beam profile, which is a systematic source of low-mode drive nonuniformity on OMEGA. Here, we model these effects and find that the predicted ℓ = 1 mode in the laser-absorption distribution is consistent with the systematic core-flow direction that has been determined from the OMEGA implosion database. We also observe good agreement with the measured core-flow directions for two specific sets of implosions (one with PS, the other without PS) when we also account for the measured beam mispointing and the beam power imbalance.

Crossed beam scattering↗
DOE OSTI2019

Electronic, magnetic, and thermodynamic properties of the kagome layer compound FeSn

Single crystals of the single Kagome layer compound FeSn are investigated using xray and neutron scattering, magnetic susceptibility and magnetization, heat capacity, resistivity, Hall, Seebeck, thermal expansion, thermal conductivity measurements and density functional theory (DFT). FeSn is a planar antiferromagnet below T N = 365 K and exhibits ferromagnetic magnetic order within each Kagome layer. The in-plane magnetic susceptibility is sensitive to synthesis conditions. Resistivity, Hall and Seebeck results indicate multiple bands near the Fermi energy. The resistivity of FeSn is ≈ 3 times lower for current along the stacking direction than in the plane, suggesting that transport and the bulk electronic structure of FeSn is not quasi 2D. FeSn is an excellent metal with ρ(300K)/ρ(2K) values ≈100 in both directions. While the ordered state is antiferromagnetic, high temperature susceptibility measurements indicate a ferromagnetic Curie-Weiss temperature of 173 K, reflecting the strong in-plane ferromagnetic interactions. DFT calculations show a 3D electronic structure with the Dirac nodal lines along the K-H directions in the magnetic Brillouin zone about 0.3 eV below the Fermi energy, with the Dirac dispersions at the K points gapped by spin-orbit coupling except at the H point. The magnetism, however, is highly 2D with J in-plane /J out-of-plane ≈ 10. In conclusion, the predicted spin-wave spectrum is presented.

36 MATERIALS SCIENCE↗