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At least 685 records · Page 38

Quantum-Confined Lifshitz Transition on Weyl Semimetal T d -MoTe 2

Adsorption of alkali atoms onto material surfaces is widely utilized for controlling electronic properties and is particularly effective for two-dimensional materials. While tuning the chemical potential and band gap and creating quantum-confined states are well established for alkali adsorption on semiconductors, the effects on semimetallic systems remain largely elusive. Here, utilizing angle-resolved photoemission spectroscopy measurements and density functional theory calculations, we disclose the creation of two-dimensional electron gas and the quantum-confined Lifshitz transition at the surface of a Weyl semimetal T d -MoTe 2 by potassium adsorption. Electrons from potassium adatoms are shown to be transferred mainly to the lowest unoccupied band within the gapped part of the Brillouin zone, which, in turn, induces strong surface band bending and quantum confinement in the topmost layer. The quantum-confined topmost layer evolves from a semimetal to a strong metal with a Lifshitz transition departing substantially from the bulk band. The present finding and its underlying mechanism can be exploited for the creation of electronic heterojunctions in van der Waals semimetals.

36 MATERIALS SCIENCE↗

Oceanographic observation of New York Bight from ERTS-1

The author has identified the following significant events. The Earth Resources Technology Satellite made a transit over New York Bight on 16 August, 1972. Imagery from this transit shows several oceanographic features that demonstrate the usefulness of remote sensing for large area, synoptic observation of changes in water quality in the coastal zone. Both the extent and turbulent character of the Hudson River plume are discernible in the image. Residue from a dump of waste acid is visible over a five mile area in the apex of the Bight. Little dispersion of this residue has occurred which suggests that this feature will be a persistent signature in images from future satellite transits.

Maul, G. A.↗

The roles of yield strength mismatch, interface strength, and plastic strain gradients in fatigue crack growth across interfaces

An irreversible cohesive zone model was used to understand how plastic strain gradients and yield strength mismatches affect fatigue crack growth across bi-material and multilayer interfaces for a range of interface strengths. Parametric studies identified regimes of penetration through the interface, deflection into the interface, and a transition where cracks extend on both paths. Plastic strain gradients strongly influence the transition regime, and a yield strength mismatch is necessary to cause deflection. For crack growth across an interlayer, interactions between the interfaces occur when the crack-tip plastic zone spans the interlayer. Plastic strain gradients promote penetration through the interlayer.

42 ENGINEERING↗

Characterization of multi-regime reaction zones in a piloted inhomogeneous jet flame with local extinction

In this study, gradient free regime identification (GFRI) is applied to 1D Raman/Rayleigh/LIF measurements of temperature and major species from the intermediate velocity case of the Sydney piloted inhomogeneous jet flame series to better understand the structure of reaction zones and the downstream evolution of multi-regime characteristics. The GFRI approach allows local reaction zones to be detected and characterized as premixed, dominantly premixed, multi-regime, dominantly non-premixed, or non-premixed flame structures, based on flame markers (mixture fraction, chemical mode, and heat release rate) derived from the experimental data. The statistics of chemical mode zero-crossings, which mark premixed reaction zones, and the relative populations of flame structures are shown to be sensitive to the state of mixing in the near field of the flame and to the level of local extinction farther downstream. Multi-regime structures, where premixed and non-premixed reaction zones occur in close proximity and both contribute to overall heat release, account for nearly half the total population at streamwise locations within the first several jet diameters. There is a rapid transition within the near field whereby the relative population of non-premixed and dominantly non-premixed structures grows from 0.05 to nearly 0.5, and the population of premixed and dominantly premixed structures decreases correspondingly as fluid entering the reaction zone becomes progressively fuel-rich. Local extinction and re-ignition bring a resurgence in premixed-type structures, many of which occur at fuel-lean conditions. There are also modest populations of multi-regime structures, having chemical mode zero-crossings at lean conditions, which would not exist in a fully burning jet flame.

42 ENGINEERING↗

Characterization of Radiation Effects and Ion Tracks with Spallation Neutron Probes

Swift heavy ions are typically defined as high-mass charged particles of kinetic energy above ~1 MeV per nucleon (MeV/u). In this regime, the energy deposition of the ions is dominated by electronic stopping, and each individual ion may induce a linear trail of damage with a width of a few nanometers and a length of several tens of micrometers or more. During the last decade, ion tracks and other radiation effects induced by swift heavy ions have been studied in a wide range of materials for basic research, as well as for a wide variety of applications. The interactions of swift heavy ions with matter are significantly different from those induced by lower energy ions (keV-MeV), where atoms are directly displaced from their lattice sites via elastic collisions. In contrast, swift ions (MeV-GeV) transfer their kinetic energy to the electrons of the target, inducing ionization and initiating a cascade of secondary electrons that quickly spreads radially. The extremely high energy densities (up to tens of eV/atom) along the ion path lead to a confined plasma-like state that is dissipated through electron–phonon coupling to the lattice. Further, subsequent rapid transitions through equilibrium and non-equilibrium states trigger complex structural modifications within a highly localized nanoscale damage zone, forming ion tracks in materials ion tracks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Workshop on a Cross Section of Archean Crust

Various topics relevant to crustal genesis, especially the relationship between Archean low - and high-grade terrains, were discussed. The central Superior Province of the Canadian Shield was studied. Here a 120 km-wide transition from subgreenschist facies rocks of the Michipicoten greenstone belt to granulite facies rocks of the Kapuskasing structural zone represents an oblique cross section through some 20 km of crust, uplifted along a northwest-dipping thrust fault.

Ashwal, L. D.↗

Climate Modeling of a Potential ExoVenus

The planetary mass and radius sensitivity of exoplanet discovery capabilities has reached into the terrestrial regime. The focus of such investigations is to search within the Habitable Zone where a modern Earth-like atmosphere maybe a viable comparison. However, the detection bias of the transit and radial velocity methods lies close to the host star where the received flux at the planet may push the atmosphere into a runaway greenhouse state. One such exoplanet discovery, Kepler-1649b, receives a similar flux from its star as modern Venus does from the Sun, and so was categorized as a possible exoVenus. Here we discuss the planetary parameters of Kepler-1649b in relation to Venus to establish its potential as a Venus analog. We utilize the general circulation model ROCKE-3D (Resolving Orbital and Climate Keys of Earth and Extraterrestrial Environments with Dynamics) to simulate the evolution of the surface temperature of Kepler-1649b under various assumptions, including relative atmospheric abundances. We show that in all our simulations the atmospheric model rapidly diverges from temperate surface conditions toward a runaway greenhouse with rapidly escalating surface temperatures. We calculate transmission spectra for the evolved atmosphere and discuss these spectra within the context of the James Webb Space Telescope Near-Infrared Spectrograph capabilities. We thus demonstrate the detectability of the key atmospheric signatures of possible runaway greenhouse transition states and outline the future prospects of characterizing potential Venus analogs.

Astrobiology↗

Proximate spin liquid and fractionalization in the triangular antiferromagnet KYbSe 2

The Heisenberg triangular-lattice quantum spin liquid and its phase transitions to nearby magnetic orders have received much theoretical attention, but clear experimental manifestations of these states are rare. Here we demonstrate that a spin-half delafossite material, namely, KYbSe 2 , shows close proximity to the triangular-lattice Heisenberg quantum spin liquid. Using neutron scattering, we identify a diffuse continuum with a sharp lower bound within the measured spectra. Applying entanglement witnesses to the data indicates multipartite entanglement spread between its neighbours, and an analysis of its magnetic-exchange couplings reveals close proximity to the theoretical quantum spin-liquid phase. The key features of the data are reproduced by Schwinger boson theory and tensor network calculations with a substantial next-nearest-neighbour coupling. The strength of the dynamical structure factor at the Brillouin-zone K point shows a scaling collapse down to 0.3 K, indicating the existence of a second-order quantum phase transition. Finally, comparing this with previous theoretical work suggests that the proximate phase at a larger next-nearest-neighbour coupling is a gapped $\mathbb{Z}_{2}$ spin liquid, resolving a long-debated issue. Similar content being viewed by others

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mapping the unoccupied state dispersions in Ta 2 NiSe 5 with resonant inelastic x-ray scattering

The transition metal chalcogenide Ta 2 NiSe 5 undergoes a second-order phase transition at T c = 328 K involving a small lattice distortion. Below T c , a band gap at the center of its Brillouin zone increases up to about 0.35 eV. In this work, we study the electronic structure of Ta 2 NiSe 5 in its low-temperature semiconducting phase, using resonant inelastic x-ray scattering (RIXS) at the Ni L 3 -edge. In addition to a weak fluorescence response, we observe a collection of intense Raman-like peaks that we attribute to electron-hole excitations. Using density functional theory calculations of its electronic band structure, we identify the main Raman-like peaks as interband transitions between valence and conduction bands. Further, by performing angle-dependent RIXS measurements, we uncover the dispersion of these electron-hole excitations that allows us to extract the low-energy boundary of the electron-hole continuum. From the dispersion of the valence band measured by angle-resolved photoemission spectroscopy, we derive the effective mass of the lowest unoccupied conduction band.

36 MATERIALS SCIENCE↗

Post University On-the-Job Training for Engineers

Our national need for qualified scientists and engineers is greater now than at any other time in our history. Fortunately, we can point with pride to this need as a measure of the impact of science and technology on our way of life. In effect, we have made such rapid strides In advancing established sciences and in opening new technological fields that we have proved the value of the scientist and engineer to society, and, as a-result, have created an expanding demand for their services which we must now attempt to satisfy. This demand we face is also due to the changing skills and high degree of specialization required to perform in these new technological fields. The colleges and universities are doing their part to provide current graduates with a modern technical foundation, but we cannot afford to ignore the thousands of experienced engineers and scientists already employed by private industry and government. As employers, we have an obligation to these men and women to see that they are provided with an understanding of the latest advances that modern technology has to offer; that we develop them in particular specialty areas characteristic of a given field of work; and, equally important, that we assist them in the transition from one field to another as the technological emphasis shifts. Practically all technological industries have experienced and continue to experience rapid changes in their activities. The aerospace business, in particular, has been characterized by extremely rapid, in fact revolutionary, changes during the relatively short period of its existence0 At the National Aeronautics and Space Administration, successor to the National Advisory Committee for Aeronautics, for example, we have encountered the fun impact of a changing science and technology. Indeed, as a research organization, we have undoubtedly contributed, in some measure, to this change. Within the NASAs Lewis Research Center, we have approximately 800 research scientists and engineers who have matured professionally in an environment which is essentially one of continuous learning - an experience which comes close to being a form of post graduate training in itself. This environment, in addition to providing continuous evolutionary changes, has also provided two major revolutions which have made this development picture more complex. We will describe these environmental changes which have occurred at the Lewis Research Center and discuss the various techniques and programs we have employed to provide for the professional development of our staff. The Lewis Research Center has had an Interesting and exciting l8-year history of aerospace propulsion research and development. It began during the early years of World War II as an expansion of the Power Plant Division of the NCA Langley Center with the mission of conducting research required for the development of improved reciprocating engines and to study the associated problems of subsonic propulsion aerodynamics, It was only a few years later, however, that turbojet and ramjet propulsion and supersonic flight research became our main concern. This transition to jet type engines and higher speeds was our first major technological change. The aerodynamics of propellers became the aerodynamics of high speed turbine and compressor blades; the fuel ignition and carbon deposition problems were transferred from a cyclical or Intermittent high compression combustion chamber to a continuous combustion zone within a thin-walled metal shell; aerodynamics problems were thrust into the supersonic range; and high temperature materials began to play an increasingly critical role. Although this transition still required the same basic knowledge and principles as before, the new engine types did involve a different emphasis and variety of consideration not generally familiar to our scientists and engineers.

Manganiello, Eugene J.↗

Unified cohesive zone model (UCZM) for fracturing and fragmenting solids

Here, a Unified Cohesive Zone Model (UCZM), which inherits most of the advantages while overcoming the shortcomings of existing Cohesive Zone Models (CZMs), is proposed. Similar to the traditional extrinsic CZM approach, UCZM dynamically inserts the cohesive elements into the system based on local material states (e.g., stress, strain). However, the transition from continua to discontinua is smoothly achieved, thereby eliminating the “time-discontinuous” issue seen in the extrinsic CZM. Moreover, within the novel UCZM framework, the point of transition from continua to discontinua is controllable through the introduction of crack initialization criteria. As a result, the UCZM allows any material models (e.g., elastic, plastic, damage models) for continuum solids and for discrete fracture behavior to work together. In essence, both an enhanced extrinsic cohesive zone model and an intrinsic cohesive zone model can be represented by the proposed unified model. The proposed UCZM has been verified through different numerical examples. The work demonstrates that the UCZM is a highly effective approach for modeling fracture and fragmentation processes in solids.

42 ENGINEERING↗

Interlayer magnetophononic coupling in MnBi2Te4

Abstract The emergence of magnetism in quantum materials creates a platform to realize spin-based applications in spintronics, magnetic memory, and quantum information science. A key to unlocking new functionalities in these materials is the discovery of tunable coupling between spins and other microscopic degrees of freedom. We present evidence for interlayer magnetophononic coupling in the layered magnetic topological insulator MnBi 2 Te 4 . Employing magneto-Raman spectroscopy, we observe anomalies in phonon scattering intensities across magnetic field-driven phase transitions, despite the absence of discernible static structural changes. This behavior is a consequence of a magnetophononic wave-mixing process that allows for the excitation of zone-boundary phonons that are otherwise ‘forbidden’ by momentum conservation. Our microscopic model based on density functional theory calculations reveals that this phenomenon can be attributed to phonons modulating the interlayer exchange coupling. Moreover, signatures of magnetophononic coupling are also observed in the time domain through the ultrafast excitation and detection of coherent phonons across magnetic transitions. In light of the intimate connection between magnetism and topology in MnBi 2 Te 4 , the magnetophononic coupling represents an important step towards coherent on-demand manipulation of magnetic topological phases.

36 MATERIALS SCIENCE↗

High-Throughput Screening of Strong Electron–Phonon Couplings in Ternary Metal Diborides

Here, we perform a high-throughput screening on phonon-mediated superconductivity in a ternary metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 ground states and 78 low-energy metastable phases. From fast calculations of zone-center electron–phonon coupling, 43 compounds are revealed to show electron–phonon coupling strength higher than that of MgB 2 . An anticorrelation between the energetic stability and electron–phonon coupling strength is identified. We suggest two phases, i.e., Li 3 ZrB 8 and Ca 3 YB 8 , to be synthesized, which show reasonable energetic stability and superconducting critical temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Performing spectroscopic and specific heat studies of improper ferroelectrics

The results of infrared measurements on Ni-Br, Cu-Cl, and Fe-I boracite improper ferroelectrics and far infrared measurements of Ni-Br boracite are presented. The boracites have the general formula X3B7O3Y, where X = divalent metal and Y = halogen. They undergo a first order phase transition from a high temperature paraelectric phase with cubic symmetry to a ferroelectric phase with orthorhombic symmetry. The boracites are "improper ferroelectrics" since the spontaneous polarization is not the primary order parameter in the cubic-orthorhombic phase transition. Current understanding of these materials is that the primary order parameter is associated with a doubly degenerate zone-boundary phonon in the cubic phase. The degenerate critical modes become homogeneous and split into the A sub 1 and A sub 2 modes in the orthorhombic phase, doubling the volume of the primitive cell. An harmonic coupling between the softing A sub 1 and a low frequency A sub 1 optic mode induces a spontaneous polarization as a secondary effect in the ferroelectric phase. This secondary non-critical nature of the ferroelectric mode earns these materials the "improper" title and is responsible for their unique properties and high figure of merit in detector use.

Coleman, L. B.↗

Alignment of fluid molecules in an EHD contact

Dichroic infrared emission spectra have been obtained from an operating elastohydrodynamic contact under conditions showing unequivocally that the molecules of the fluid are aligned under shear flow in the bulk of the fluid and that the extent of the alignment is increased by the presence of an additive in a small concentration. This work applied particularly to polyphenyl ether and to 1,1,2-trichloroethane as the additive, but similar results have been obtained with polycyclohexyls and the same additive. The observation of two separate glass transitions for the polycyclohexyl solution is an indication of the occurrence of a phase separation in the Hertzian inlet zone. A model has been developed to explain the effect of these phenomena and their relation to traction.

Lauer, J. L.↗

Radial mixing of material in the asteroidal zone

The asteroid belt shows radial zoning of compositional structure. The most abundant types are successively S, C, and P types from the inner to the outer parts of the main belt, and D type in the Trojan clouds. This paper examines processes for producing this structure before, during, and after the accretion of asteroids. The initial structure is established by temperature and composition gradients in the turbulent solar nebula during the collapse of the presolar cloud. The radial scale of the zoning, comparable to the disk thickness, favors disk models with relatively low turbulent viscosity. Radial decay of solid bodies due to gas drag during settling to the central plane and planetesimal formation probably causes only a small degree of mixing, due to the systematic nature of drag-induced motions. The formation of Jupiter causes scattering of massive planetesimals from that planet's zone through the asteroid zone. The present random velocities of asteroids resulting from that stirring process are consistent with the radial scale of transitions between compositional types.

Ruzmaikina, T. V.↗

Can Solution Supersaturation Affect Protein Crystal Quality?

The formation of large protein crystals of "high quality" is considered a characteristic manifestation of microgravity. The physical processes that predict the formation of large, high quality protein crystals in the microgravity environment of space are considered rooted in the existence of a "depletion zone" in the vicinity of crystal. Namely, it is considered reasonable that crystal quality suffers in earth-grown crystals as a result of the incorporation of large aggregates, micro-crystals and/or large molecular weight "impurities", processes which are aided by density driven convective flow or mixing at the crystal-liquid interface. Sedimentation and density driven convection produce unfavorable solution conditions in the vicinity of the crystal surface, which promotes rapid crystal growth to the detriment of crystal size and quality. In this effort, we shall further present the hypothesis that the solution supersaturatoin at the crystal surface determines the growth mechanism, or mode, by which protein crystals grow. It is further hypothesized that protein crystal quality is affected by the mechanism or mode of crystal growth. Hence the formation of a depletion zone in microgravity environment is beneficial due to inhibition of impurity incorporatoin as well as preventing a kinetic roughening transition. It should be noted that for many proteins the magnitude of neither protein crystal growth rates nor solution supersaturation are predictors of a kinetic roughening transition. That is, the kinetic roughening transition supersaturation must be dtermined for each individual protein.

Gorti, Sridhar↗

Climate Modeling of a Potential Exovenus

The planetary mass and radius sensitivity of exoplanet discovery capabilities has reached into the terrestrial regime. The focus of such investigations is to search within the Habitable Zone where a modern Earth-like atmosphere may be a viable comparison. However, the detection bias of the transit and radial velocity methods lies close to the host star where the received flux at the planet may push the atmosphere into a runaway greenhouse state. One such exoplanet discovery, Kepler-1649b, receives a similar flux from its star as modern Venus does from the Sun, and so was categorized as a possible exoVenus. Here we discuss the planetary parameters of Kepler-1649b in relation to Venus to establish its potential as a Venus analog. We utilize the general circulation model ROCKE-3D to simulate the evolution of the surface temperature of Kepler-1649b under various assumptions, including relative atmospheric abundances. We show that in all our simulations the atmospheric model rapidly diverges from temperate surface conditions toward a runaway greenhouse with rapidly escalating surface temperatures. We calculate transmission spectra for the evolved atmosphere and discuss these spectra within the context of the James Webb Space Telescope Near-Infrared Spectrograph capabilities. We thus demonstrate the detectability of the key atmospheric signatures of possible runaway greenhouse transition states and outline the future prospects of characterizing potential Venus analogs.

Astrobiology↗