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At least 1,459 records · Page 81

Less Common Topological Phenomena in Bulk Materials

"Prediction and subsequent discovery of topological insulators is considered to be one of the main results in condensed matter physics in the last decades. Not surprisingly, it has received major attention of both researchers and funding agencies. This attention is well-deserved; yet, one cannot but note that nearly all this research revolves about essentially the same concept: electronic excitations with linear dispersion, covering, of course, such diverse and intriguing phenomena as topological insulator, bulk Dirac states (or Weyl, if not spin degenerate), Mayorana fermions. In this project, we will address, mainly, other topological phenomena, such as topologically nontrivial magnetic patterns (as, for instance, topological Hall and related phenomena). Specifically, we propose three interrelated trusts: (1) Time-reversal symmetry breaking nonrelativistic antiferromagnets, called altermagnets. These are materials that break Kramers degeneracy of electronic bands, despite having zero net magnetization by symmetry and being fully collinear, and not necessarily non-centrosymmetric. The corresponding band structure is very similar to the band structure in non-centrosymmetric spin-orbital materials, but materials that we propose to study are distinctly different, first and foremost in the sense that despite sharing many aspects of their electronic properties with the latter, they break the time-reversal symmetry without either spin-orbit coupling or lack of inversion symmetry. (2) Topologically nontrivial magnetic spirals. The PI has been engaged with the experimental group of Dr. Ghimire at GMU investigating Dirac materials with helical magnetism, based on stacked magnetic Kagome layers, with a generic formula of RMn6Sn6. In particular, Y Mn6Sn6 demonstrates a component of the Hall effect that is naturally interpreted in terms of a topological spin texture, as well as linear magnetoresistance. Our calculation identify Dirac states that are robust with respect to the spiral formation, and let us derive an advance mean-field model explaining the observed phase diagram. This model predicted four distinct phases, with very distinct properties, which have now been seen in neutron experiments. The same compound is known to demonstrate topological Hall effect in a particular magnetic phase, and only at elevated temperature. Based on our understanding of the phase diagram, we have worked out a phenomenological theory of a chiral (skyrmionic) response to an external magnetic field, similar to the nematic response to external strain in Fe-based superconductors, which is possible in a centrosymmetric lattice and without interplanar Dzyaloshinskii-Moriya interaction. This phenomenological theory agrees quantitatively with the experiment. It is in our plans to research other similar materials for this effect. (3) Search for 3D analogues of Fe-based superconductors. We want to investigate materials that can be viewed as 3D analogues of FeSe. Specifically, we want materials that are good metals and host antiferromagnetism, which can be suppressed by pressure and generate an s-wave superconductivity, as in Fe-based superconductors. We have in mind some candidates already. This work will proceed in close collaboration with the experimental group of Prof. Nirmal Ghimire in the same department, whose expertise lies in sample making, magnetometry and transport measurements of materials with complex magnetic structures."

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effects of large deflection and transverse shear on response of rectangular symmetric composite laminates subjected to acoustic excitation

Nonlinear equations of motion of symmetrically laminated anisotropic plates are derived accounting for von Karman strains. The effect of transverse shear is included in the formulation. Using a single-mode Galerkin procedure, the nonlinear modal equation is obtained. The direct equivalent linearization method is employed for solution of this equation. The response to acoustic excitation of moderately thick composite panels is studied. Further, the effects of transverse shear on large deflection vibration of laminates under random excitation are studied. Mean-square deflections and mean-square inplane stresses are obtained for symmetric graphite-epoxy laminates. Using equilibrium equations and the continuity requirements, the mean-square transverse shear stresses are calculated. The results obtained will be useful in the sonic fatigue design of composite aircraft panels. The analysis is presented in detail for simply supported plates. The analogous equations for a clamped case are also obtained.

Mei, Chuh↗

Monolayer Sc 2 CF 2 as a Potential Selective and Sensitive NO 2 Sensor: Insight from First-Principles Calculations

Two-dimensional materials with excellent surface–volume ratios and massive reaction sites recently have been receiving attention for gas sensing. With first-principles calculations, we explored the performance of monolayer Sc 2 CF 2 as a gas sensor. We investigated how molecule adsorption affects its electronic structure and optical properties. It is found that a large charge transfer quantity happens between Sc 2 CF 2 and NO 2 , which results from the fact that the lowest unoccupied molecular orbital (LUMO) of NO 2 is below the valence band maximum (VBM) of Sc 2 CF 2 . Moreover, the MD simulation shows that NO 2 can adsorb on the Sc 2 CF 2 surface stably at room temperature. We explored the effect of biaxial strain on the adsorption energy and charge transfer quantity of each system, and the results show that the biaxial strain can enhance both the adsorption energy and charge transfer quantity of the NO 2 system and thus can improve the sensitivity of Sc 2 CF 2 in detecting the NO 2 molecule. Furthermore, we investigated the adsorption behavior and charge transfer of polar polyatomic molecules at the Sc 2 CF 2 surface with h-BN as a substrate, and the results demonstrate that the h-BN substrate can hardly modify the main results. Our result predicts that Sc 2 CF 2 can be a promising selective and sensitive sensor to detect the NO 2 molecule, and could also give a theoretical guide for other terminated MXenes used for gas sensors or detectors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Possible Kitaev Quantum Spin Liquid State in 2D Materials with S=3/2

Quantum spin liquids (QSLs) form an extremely unusual magnetic state in which the spins are highly correlated and fluctuate coherently down to the lowest temperatures, but without symmetry breaking and without the formation of any static long-range-ordered magnetism. Such intriguing phenomena are not only of great fundamental relevance in themselves, but also hold promise for quantum computing and quantum information. Further, among different types of QSLs, the exactly solvable Kitaev model is attracting much attention, with most proposed candidate materials, e.g., RuCl 3 and Na 2 IrO 3 , having an effective $\textit{S}$ = 1/2 spin value. Here, via extensive first-principles-based simulations, we report the investigation of the Kitaev physics and possible Kitaev QSL state in epitaxially strained Cr-based monolayers, such as CrSiTe 3 , that rather possess a $\textit{S}$ = 3/2 spin value. Our study thus extends the playground of Kitaev physics and QSLs to 3$\textit{d}$ transition metal compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of large deflection and transverse shear on random response of rectangular symmetric composite laminates to acoustic loads

Nonlinear equations of motion of symmetrically laminated anisotropic plates are derived accounting for von Karman strains. The effect of transverse shear is included in the formulation and the rotatory inertia effect is ignored. Using a single-mode Galerkin procedure the nonlinear modal equation is obtained. Direct equivalent linearization is employed. The response of acoustic excitation on moderately thick composite panels is studied. Further, the effects of transverse shear on large deflection vibration of laminates under random excitation are studied. Mean-square deflection and mean-square inplane stresses are obtained for some symmetric graphite-epoxy laminates. Using equilibrium equations and the continuity requirements, the mean-square transverse shear stresses are calculated. The results obtained will be useful in the sonic fatigue design of composite aircraft panels. The analysis is presented in detail for simply supported plate. The analogous equations for a clamped case are given in the appendix.

Mei, Chuh↗

Engine cyclic durability by analysis and material testing

The problem of calculating turbine engine component durability is addressed. Nonlinear, finite-element structural analyses, cyclic constitutive behavior models, and an advanced creep-fatigue life prediction method called strainrange partitioning were assessed for their applicability to the solution of durability problems in hot-section components of gas turbine engines. Three different component or subcomponent geometries are examined: a stress concentration in a turbine disk; a louver lip of a half-scale combustor liner; and a squealer tip of a first-stage high-pressure turbine blade. Cyclic structural analyses were performed for all three problems. The computed strain-temperature histories at the critical locations of the combustor linear and turbine blade components were imposed on smooth specimens in uniaxial, strain-controlled, thermomechanical fatigue tests of evaluate the structural and life analysis methods.

Kaufman, A.↗

Engine cyclic durability by analysis and material testing

The problem of calculating turbine engine component durability is addressed. Nonlinear, finite-element structural analyses, cyclic constitutive behavior models, and an advanced creep-fatigue life prediction method called strainrange partitioning were assessed for their applicability to the solution of durability problems in hot-section components of gas turbine engines. Three different component or subcomponent geometries are examined: a stress concentration in a turbine disk; a louver lip of a half-scale combustor linear; and a squealer tip of a first-stage high-pressure turbine blade. Cyclic structural analyses were performed for all three problems. The computed strain-temperature histories at the critical locations of the combustor linear and turbine blade components were imposed on smooth specimens in uniaxial, strain-controlled, thermomechanical fatigue tests of evaluate the structural and life analysis methods.

Kaufman, A.↗

Quantitative assessment of the cataractogenic potential of very low doses of neutrons

We report on the prevalence and relative biological effectiveness (RBE) for various stages of lens opacification in rats induced by very low doses (2 to 250 mGy) of medium-energy (440 keV) neutrons, compared to those for X rays. Neutron doses were delivered either in a single fraction or in four separate fractions and the irradiated animals were followed for over 100 weeks. At the highest observed dose (250 mGy) and at early observation times, there was evidence of an inverse dose-rate effect; i.e., a fractionated exposure was more potent than a single exposure. Neutron RBEs relative to X rays were estimated using a non-parametric technique. The results were only weakly dependent on time postirradiation. At 30 weeks, for example, 80% confidence intervals for the RBE of acutely delivered neutrons relative to X rays were 8-16 at 250 mGy, 10-20 at 50 mGy, 50-100 at 10 mGy and 250-500 at 2 mGy. The results are consistent with the estimated neutron RBEs in Japanese A-bomb survivors, though broad confidence bounds are present in the Japanese results. Our findings are also consistent with data reported earlier for cataractogenesis induced by heavy ions in rats, mice, and rabbits. We conclude from these results that, at very low doses (<10 mGy), the RBE for neutron-induced cataractogenesis is considerably larger than the RBE of 20 commonly used, and use of a significantly larger value for calculating equivalent dose would be prudent.

NASA Discipline Radiation Health↗

A continuum model of continental deformation above subduction zones - Application to the Andes and the Aegean

A continuum model of continental deformation above subduction zones was developed that combines the viscous sheet and the corner flow models; the continental lithosphere is described by a two-dimensional sheet model that considers basal drag resulting from the viscous asthenosphere flow underneath, and a corner flow model with a deforming overlying plate and a rigid subducting plate is used to calculate the shear traction that acts on the base of the lithosphere above a subduction zone. The continuum model is applied to the Andes and the Aegean deformations, which represent, respectively, compressional and extensional tectonic environments above subduction zones. The models predict that, in a compressional environment, a broad region of uplifted topography will tend to develop above a more steeply dippping slab, rather than above a shallower slab, in agreement with observations in the various segments of the central Andes. For an extensional environment, the model predicts that a zone of compression can develop near the trench, and that extensional strain rate can increase with distance from the trench, as is observed in the Aegean.

Wdowinski, Shimon↗

Straintronic Effect on Phonon-Mediated Superconductivity of Nb 2 CT 2 (T = O, S, Se, or Te) MXenes

Here, the electronic structures, phonon dispersions, and electron–phonon coupling of Nb 2 CT 2 (T = O, S, Se, or Te) MXenes were investigated via first-principles calculations. Different models of Nb 2 CT 2 were constructed, and the results show that the low-energy models of Nb 2 CT 2 are intrinsic phonon-mediated superconductors. Of the four Nb 2 CT 2 MXenes, Nb 2 CO 2 MXene exhibits the largest superconducting critical temperature ($T_c$) of 14.43 K. The existence of soft modes induced by Kohn anomalies and the contribution of Nb atoms to the Fermi level lead to strong electron–phonon coupling (λ = 0.92) in Nb 2 CO 2 MXene. The $T_c$ of Nb 2 CO 2 is further enhanced by biaxial tensile strain and reaches up to 18.28 K under 4% tensile strain. The predicted $T_c$ of Nb 2 CS 2 is 4.5 K, which is comparable with experimental data. These findings will further stimulate the search for superconducting MXenes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elevated temperature compressive steady state deformation and failure in the oxide dispersion strengthened alloy MA 6000E

The compressive flow strength-strain rate behavior of the oxide-dispersion-strengthened alloy MA 6000E has been studied in the temperature range 1144-1366 K, with strain rates ranging from 2.1 x 10 to the -5th to 2.1 x 10 to the -7th per s. It is found that the inherent strength of the alloy is essentially the same in all test directions and that the low strength observed in tensile tests results from the inability of grain boundaries to support high tensile stresses. The failure of MA 6000E under high-temperature, slow plastic flow conditions is shown to be the result of concentrated slip. Slow plastic deformation in MA 6000E can be described by a threshold stress model of creep where threshold stresses are calculated from relatively fast testing procedures and the effective stress exponent for creep is assumed to be 3.5.

Whittenberger, J. D.↗

Controllable Curved Mirrors Made from Single-Layer EAP Films

A document proposes that lightweight, deployable, large-aperture, controllable curved mirrors made of reflectively coated thin electroactive-polymer (EAP) films be developed for use in spaceborne microwave and optical systems. In these mirrors, the EAP films would serve as both structures and actuators. EAPs that are potentially suitable for such use include piezoelectric, electrostrictive, ferroelectric, and dielectric polymers. These materials exhibit strains proportional to the squares of applied electric fields. Utilizing this phenomenon, a curved mirror according to the proposal could be made from a flat film, upon which a nonuniform electrostatic potential (decreasing from the center toward the edge) would be imposed to obtain a required curvature. The effect would be analogous to that of an old-fashioned metalworking practice in which a flat metal sheet is made into a bowl by hammering it repeatedly, the frequency of hammer blows decreasing with distance from the center. In operation, the nonuniform electrostatic potential could be imposed by use of an electron gun. Calculations have shown that by use of a single- layer film made of a currently available EAP, it would be possible to control the focal length of a 2-m-diameter mirror from infinity to 1.25 m.

Bao, Xiaoqi↗

Unraveling Strain Gradient Induced Electromechanical Coupling in Twisted Double Bilayer Graphene Moiré Superlattices

Moiré superlattices of 2D materials with a small twist angle are thought to exhibit appreciable flexoelectric effect, though unambiguous confirmation of their flexoelectricity is challenging due to artifacts associated with commonly used piezoresponse force microscopy (PFM). For example, unexpectedly small phase contrast (≈8°) between opposite flexoelectric polarizations is reported in twisted bilayer graphene (tBG), though theoretically predicted value is 180°. We report a methodology is developed to extract intrinsic moiré flexoelectricity using twisted double bilayer graphene (tDBG) as a model system, probed by lateral PFM. For small twist angle samples, it is found that a vectorial decomposition is essential to recover the small intrinsic flexoelectric response at domain walls from a large background signal. The obtained threefold symmetry of commensurate domains with significant flexoelectric response at domain walls is fully consistent with the theoretical calculations. Incommensurate domains in tDBG with relatively large twist angles can also be observed by this technique. A general strategy is provided here for unraveling intrinsic flexoelectricity in van der Waals moiré superlattices while providing insights into engineered symmetry breaking in centrosymmetric materials.

36 MATERIALS SCIENCE↗

User's guide to computer program CIVM-JET 4B to calculate the transient structural responses of partial and/or complete structural rings to engine-rotor-fragment impact

A user-oriented computer program CIVM-JET 4B is described to predict the large-deflection elastic-plastic structural responses of fragment impacted single-layer: (a) partial-ring fragment containment or deflector structure or (b) complete-ring fragment containment structure. These two types of structures may be either free or supported in various ways. Supports accommodated include: (1) point supports such as pinned-fixed, ideally-clamped, or supported by a structural branch simulating mounting-bracket structure and (2) elastic foundation support distributed over selected regions of the structure. The initial geometry of each partial or complete ring may be circular or arbitrarily curved; uniform or variable thicknesses of the structure are accommodated. The structural material is assumed to be initially isotropic; strain hardening and strain rate effects are taken into account.

Stagliano, T. R.↗

Atomically Resolved Acoustic Dynamics Coupled with Magnetic Order in a Van der Waals Antiferromagnet

Magnetoelastic coupling in van der Waals (vdW) magnetic materials enables a unique interplay between the spin and lattice degrees of freedom. Characterizing the elastic responses with atomic and femtosecond resolution across the magnetic transition is essential for guiding the design of magnetically tunable actuators and strain-mediated spintronic devices. Here, ultrafast X-ray diffraction employed at a free-electron laser reveals that the atomic displacements, wave vectors, and dispersion relations of acoustic phonon modes in a vdW antiferromagnet FePS3 are coupled with the magnetic order, by tracking both in-plane and out-of-plane Bragg peaks upon optical excitation across the Néel temperature (TN). One transverse mode shows that a quasi-out-of-plane atomic displacement undergoes a significant directional change across TN. Its quasi-in-plane wave vector is derived by comparing the measured sound velocity and the first-principles calculations. The other transverse mode is an interlayer shear acoustic mode whose amplitude is strongly enhanced in the antiferromagnetic phase, exhibiting eight times stronger amplitude than the longitudinal acoustic mode below TN. The atomically resolved characterization of acoustic phonon dynamics that couple with magnetic ordering opens opportunities for harnessing unique magnetoelastic coupling in vdW magnets on ultrafast timescales.

coherent acoustic phonons↗

Intrinsic Berry curvature driven anomalous Nernst thermopower in the semimetallic Heusler alloy CoFeVSb

Understanding of spin-heat coupling mechanisms and magnetothermoelectric phenomena, including the anomalous Nernst effect (ANE), in emergent quaternary Heusler alloys is of practical importance for applications in thermal management and energy harvesting. Here, we demonstrate an intrinsic Berry curvature mediated anomalous Nernst thermopower in CoFeVSb, which orders magnetically at high temperature ( T C ≈ 850 K ) with a large saturation magnetization of ≈ 2.2 μ B / f . u . at room temperature. We show that the electron-electron elastic and electron-magnon inelastic scattering dominate longitudinal electrical transport at low temperatures ( T ≤ 50 K ), whereas the electron-phonon and electron-magnon scatterings govern it at higher T . The longitudinal thermopower is resulted mainly from the diffusive contribution with a very large longitudinal Seebeck coefficient ( 42 μ V K - 1 at 395 K). The value of the anomalous Nernst coefficient ( S ANE ) for CoFeVSb at room temperature is 0.039 μ V K - 1 which is higher than the compressively strained SrRu O 3 film ( 0.03 μ V K - 1 ) as well as the spin gapless semiconductor CoFeCrGa ( 0.018 μ V K - 1 ). On lowering T , both the ordinary Nernst coefficient and carrier mobility increase but an opposite trend is found for S ANE . Our ab initio simulations reveal the topological semimetallic nature of CoFeVSb with a pair of Weyl points. These Weyl crossings result in a significant contribution to the Berry curvature, leading to an intrinsic anomalous Hall conductivity ( σ x y AHE ) of ≈ 85 S/cm, which matches well with experiment (77 S/cm at 2 K). Our experimental findings and ab initio calculations support the dominance of the intrinsic Berry curvature in the observed ANE. The ratio of σ x y AHE to the transverse anomalous thermoelectric conductivity ( α x y ANE ) shows an increasing trend with T attaining a sizable fraction of k B e ( ≈ 0.35 k B e ) at room temperature.

36 MATERIALS SCIENCE↗

Tensile behavior of tungsten and tungsten-alloy wires from 1300 to 1600 K

The tensile behavior of a 200-micrometer-diameter tungsten lamp (218CS-W), tungsten + 1.0 atomic percent (a/o) thoria (ST300-W), and tungsten + 0.4 a/o hafnium carbide (WHfC) wires was determined over the temperature range 1300 t0 1600 K at strain rates of 3.3 X 10 to the -2 to 3.3 X 10 to the -5/sec. Although most tests were conducted on as-drawn materials, one series of tests was undertaken on ST300-W wires in four different conditions: as-drawn and vacuum-annealed at 1535 K for 1 hr, with and without electroplating. Whereas heat treatment had no effect on tensile properties, electropolishing significantly increased both the proportional limit and ductility, but not the ultimate tensile strength. Comparison of the behavior of the three alloys indicates that the HfC-dispersed material possesses superior tensile properties. Theoretical calculations indicate that the strength/ductility advantage of WHfC is due to the resistance to recrystallization imparted by the dispersoid.

Hee, Man Yun↗

Revealing the critical role of radical-involved pathways in high temperature cyclopentanone pyrolysis

Cyclopentanone (CPO) is a promising biofuel for spark-ignition engines due to its ring strain and high auto-ignition resistance. Understanding CPO decomposition is crucial for building a high-temperature combustion model. Here we present a comprehensive kinetic model for high-temperature pyrolysis of CPO with verified results from high-pressure shock tube (HPST) measurements. The time- histories of carbon monoxide (CO), ethylene (C 2 H 4 ), and CPO absorbances over the temperature range of 1156-1416 K and pressure range of 8.53-10.06 atm were measured during current experiments. A corresponding detailed kinetic model was generated using the Reaction Mechanism Generator (RMG) with dominant unimolecular/radical-involved decomposition pathways from either previous studies or quantum calculations within the current work. The obtained model containing 821 species and 79,859 reactions exhibited a good agreement with the experimental results. In this study, the absorbance ratio between C 2 H 4 and CO was used as an important factor to validate models and to prove that radical-involved bimolecular pathways were as significant as unimolecular decomposition of CPO. The rate of production (ROP) analysis showed H radicals play a major role in the decomposition, and the whole decomposition process could be divided into three stages based on the H radical concentration. Finally, the insights from present work can be used to generate a better CPO combustion model and help evaluate CPO as an advanced biofuel.

09 BIOMASS FUELS↗