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152 records · Page 9

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DOE OSTI2025

Nodal hybridization in a two-dimensional heavy-fermion material

Metals with partially filled core atomic shells can form quasiparticles at a low temperature arising from the hybridization of the core level and conduction electrons. The thermodynamic and spectroscopic properties of these metals can be understood as those of a simple metal, but with a significant mass enhancement over the free electron mass—commonly referred to as heavy fermions. In most heavy-fermion materials, the hybridization is approximately isotropic in position and momentum space. However, a combination of low dimensionality and symmetry properties of the core-level wavefunctions can give rise to highly anisotropic electronic interactions with the conduction electrons. Here, in this study, we demonstrate anisotropic hybridization that vanishes along specific directions in momentum space—referred to as nodes—in a lanthanide-based two-dimensional van der Waals heavy-fermion compound, CeSiI. Quasiparticle interference measurements reveal a set of discrete hotspots with high spectral intensity on the Fermi surface. Theoretical modelling and comparison with the quasiparticle interference pattern of the non-heavy-fermion isostructural analogue LaSiI suggest that these features arise from an unconventional electron interaction involving hybridization nodes unique to CeSiI. As a result, the effective mass of the quasiparticles varies by orders of magnitude depending on their direction in momentum space.

36 MATERIALS SCIENCE↗

NASA NTRS2012

The Exact Solution for Linear Thermoelastic Axisymmetric Deformations of Generally Laminated Circular Cylindrical Shells

A detailed exact solution is presented for laminated-composite circular cylinders with general wall construction and that undergo axisymmetric deformations. The overall solution is formulated in a general, systematic way and is based on the solution of a single fourth-order, nonhomogeneous ordinary differential equation with constant coefficients in which the radial displacement is the dependent variable. Moreover, the effects of general anisotropy are included and positive-definiteness of the strain energy is used to define uniquely the form of the basis functions spanning the solution space of the ordinary differential equation. Loading conditions are considered that include axisymmetric edge loads, surface tractions, and temperature fields. Likewise, all possible axisymmetric boundary conditions are considered. Results are presented for five examples that demonstrate a wide range of behavior for specially orthotropic and fully anisotropic cylinders.

Nemeth, Michael P.↗

NASA NTRS1995

Interstellar scattering toward Cygnus X-3: Measurements of anisotropy and of the inner scale

We present 18 cm wavelength Very Long Base Interferometry (VLBI) observations of Cyg X-3 obtained 1989 June 6 along with 18 and 20 cm Very Large Array (VLA) A-array data obtained 1985 February 8. In both data sets, the flux density was relatively high, and the intrinsic source size small compared to the scattering, ideal conditions for a detailed study of interstellar scattering. We find that the scattering disk is anisotropic, with an axial ratio 1.31 +/- 0.02 along position angle 52.0 deg +/- 1.5 deg. This is the first unambiguous measurement of anisotropic scattering in the interstellar medium. We also find a significant break in the phase structure function, the first measurement of a break in any source. The data exclude a steep turbulent spectrum, but are consistent with a shallow turbulent spectrum with an inner scale of 300 km, with a net uncertainty of approximately 50%. We tentatively identify the scattering plasma with the H II region DR 11, for which we estimate a visual extinction of 4 mag, and an emission measure toward Cyg X-3 of 6000 cm(exp -6)pc. We make the case that DR 11 is part of a shell of H II regions centered on the Cyg OB2 association (which is approximately 1.8 kpc distant) that is 2 deg (60 pc) in radius and expanding at 10 km/s. Our inner scale is consistent with that expected for an H II region, and the amount of scattering is consistent with the emission measure. We discuss how the anisotropy can be used to confirm the identification with DR 11 and to distinguish between different models of turbulence by comparison with measurements of the polarization of starlight along the line of sight.

Molnar, L. A.↗

DOE OSTI2022

Magnetic Ordering in a High‐Spin Donor–Acceptor Conjugated Polymer

Abstract The development of open‐shell organic molecules that magnetically order at room temperature,which can be practically applied, remains a grand challenge in chemistry, physics, and materials science. Despite the exploration of vast chemical space, design paradigms for organic paramagnetic centers generally result in unpaired electron spins that are unstable or isotropic. Here, a high‐spin conjugated polymer is demonstrated, which is composed of alternating cyclopentadithiophene and benzo[1,2‐ c ;4,5‐ c ′]bis[1,2,5]thiadiazole heterocycles, in which macromolecular structure and topology coalesce to promote the spin center generation and intermolecular exchange coupling. Electron paramagnetic resonance (EPR) spectroscopy is consistent with spatially localized spins, while magnetic susceptibility measurements show clear anisotropic spin ordering and exchange interactions that persist at room temperature. The application of long‐range π‐correlations for spin center generation promotes remarkable stability. This work offers a fundamentally new approach to the implementation of this long‐sought‐after physical phenomenon within organic materials and the integration of manifold properties within emerging technologies.

Steelman, Michael E.↗

NASA NTRS1983

Nonlinear equations of dynamics for spinning paraboloidal antennas

The nonlinear strain-displacement and velocity-displacement relations of spinning imperfect rotational paraboloidal thin shell antennas are derived for nonaxisymmetrical deformations. Using these relations with the admissible trial functions in the principle functional of dynamics, the nonlinear equations of stress inducing motion are expressed in the form of a set of quasi-linear ordinary differential equations of the undetermined functions by means of the Rayleigh-Ritz procedure. These equations include all nonlinear terms up to and including the third degree. Explicit expressions are given for the coefficient matrices appearing in these equations. Both translational and rotational off-sets of the axis of revolution (and also the apex point of the paraboloid) with respect to the spin axis are considered. Although the material of the antenna is assumed linearly elastic, it can be anisotropic.

Utku, S.↗

DOE OSTI2020

Heat-driven acoustic phonons in lamellar nanoplatelet assemblies

Colloidal CdSe nanoplatelets, with the electronic structure of quantum wells, self-assemble into lamellar stacks due to large co-facial van der Waals attractions. These lamellar stacks are shown to display coherent acoustic phonons that are detected from oscillatory changes in the absorption spectrum observed in infrared pump, electronic probe measurements. Rather than direct electronic excitation of the nanocrystals using a femtosecond laser, impulsive transfer of heat from the organic ligand shell, excited at C–H stretching vibrational resonances, to the inorganic core of individual nanoplatelets occurs on a time-scale of <100 ps. This heat transfer drives in-phase longitudinal acoustic phonons of the nanoplatelet lamellae, which are accompanied by subtle deformations along the nanoplatelet short axes. The frequencies of the oscillations vary from 0.7 to 2 GHz (3–8 μeV and 0.5–1 ns oscillation period) depending on the thickness of the nanoplatelets—but not their lateral areas—and the temperature of the sample. Temperaturedependence of the acoustic phonon frequency conveys a substantial stiffening of the organic ligand bonds between nanoplatelets with reduced temperature. Overall, these results demonstrate a potential for acoustic modulation of the excitonic structure of nanocrystal assemblies in self-assembled anisotropic semiconductor systems at temperatures at or above 300 K.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Improved Plate and Beam Models for Thermoviscoelastic Constitutive Modeling of Composites

The effective properties of composites are influenced by the time-dependent behavior of polymer matrices very sensitive to changes in temperature. Improved plate and beam models are required to efficiently design, and simulate composite structures when the long-term performance of large anisotropic composite structures is the matter of interest. In this work, mechanics of structure genome (MSG) is used to con-struct linear thermoviscoelastic plate and beam models that can homogenize three-dimensional heterogeneous materials made of constituents with time- and temperature-dependent behavior. The formulation derives the transient strain energy based on integral formulation for thermorheologically simple materials subject to finite temperature changes with the restriction that the strain is small. The reduced time parameter is introduced to relate the time-temperature dependency of the anisotropic material by means of master curves at reference conditions. The new formulation has been implemented in SwiftCompTM, a general-purpose multiscale constitutive modeling code based on MSG. Experimental data and three-dimensional direct numerical simulations of thin-ply high-strain composites (TP-HSC) using a commercial finite element analysis (FEA) package are conducted to verify the accuracy of SwiftCompTM results. The paper also analyzes the relationship between the shift factor of the polymer matrix and the temperature dependencies of the effective beam properties.

Finite element analysis↗

DOE OSTI2025

The impact of capillary heterogeneity on CO 2 flow and trapping across scales

Capillary heterogeneity has been identified over the last decade as a key control on subsurface CO 2 flow behavior during geological CO 2 sequestration. These heterogeneities can be formed in all sedimentary rocks, ranging from slight variations in the sand grain sizes to extensive sequences of interbedded sands, shales, and limestones. Capillary heterogeneity has been largely, although not entirely, overlooked in subsurface flow modeling because it is assumed to only directly influence fluid redistribution over scales of centimeters to meters. However, even small-scale fluid movements can result in dramatic impacts on the mobility and trapping of the CO 2 over kilometers. Therefore, neglecting capillary heterogeneity at multiple scales could potentially lead to errors in modeling and predicting field-scale plume migration. In this review paper, we aim to provide a consistent overview to (1) establish that capillary heterogeneity can have a major impact on CO 2 plume migration, (2) establish the respective length scales at which capillary heterogeneity matters, and (3) provide guidance for numerical modeling. This review covers pertinent literature and extracts key observations from the core to the field scales. Experimental studies have shown that millimeter-decimeter scale capillary heterogeneity can cause the so-called capillary heterogeneity trapping in addition to pore-scale residual trapping. Even at such a small scale, capillary heterogeneity can already lead to complex upscaled constitutive relationships, such as flow-rate dependent and anisotropic relative permeability, which affects field-scale CO 2 migration even when field-scale heterogeneities are present. Under gravity-dominated flow regimes, centimeter-meter scale capillary heterogeneity can entrap a significant amount of CO 2 at field scale, not just after imbibition but also during drainage. In certain cases, the presence of capillary heterogeneity can even completely stop the vertical movement of the CO 2 plume, hence greatly reducing leakage risks. At meter-kilometer scale, the influence of capillary heterogeneity is more pronounced and can hinder or redirect CO 2 migration in both lateral and vertical directions. The impact of capillary heterogeneity across multiple spatial scales poses a great challenge in modeling CO 2 migration at field scale, because it is practically impossible to build a field-scale earth model with grid blocks at millimeter scale. We recommend a hierarchical modeling approach to address this challenge. At field scale, earth models are built to capture geological features and heterogeneities in high but still practical grid resolutions. For each facies or rock type of the field-scale model, high- resolution meter-scale “conceptual” models are built with millimeter-scale grid blocks to capture representative fine-scale bedding geometries and heterogeneities in various environments of deposition, bridging the gap from subcore scale to the size of a field-scale simulation grid block. Upscaling is then used to preserve the smaller-scale flow dynamics of various rock types in field-scale simulations. Here, future work is needed to (1) refine, improve, and validate the hierarchical modeling approach; (2) build libraries of fine-scale bedding models for facies in various environments of deposition; (3) quantify multiscale capillary heterogeneity effects under subsurface uncertainties; (4) gain learning from different storage formations; and (5) establish best practices that balance accuracy and computational speed.

Capillary heterogeneity↗