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At least 37 records · Page 2

Postseismic deformation due to subcrustal viscoelastic relaxation following dip-slip earthquakes

The deformation of the Earth following a dip-slip earthquake is calculated using a three layer rheological model and finite element techniques. The three layers are an elastic upper lithosphere, a standard linear solid lower lithosphere, and a Maxwell viscoelastic asthenosphere-a model previously analyzed in the strike-clip case (Cohen, 1981, 1982). Attention is focused on the magnitude of the postseismic subsidence and the width of the subsidence zone that can develop due to the viscoelastic response to coseismic reverse slip. Detailed analysis for a fault extending from the surface to 15 km with a 45 deg dip reveals that postseismic subsidence is sensitive to the depth to the asthenosphere but is only weakly dependent on lower lithosphere depth. The greatest subsidence occurs when the elastic lithosphere is about 30 km thick and the asthenosphere lies just below this layer (asthenosphere depth = 2 times the fault depth). The extremum in the subsidence pattern occurs at about 5 km from the surface trace of the fault and lies over the slip plane. In a typical case after a time t = 30 tau (tau = Maxwell time) following the earthquake the subsidence at this point is 60% of the coseismic uplift. Unlike the horizontal deformation following a strike slip earthquake, significant vertical deformation due to asthenosphere flow persists for many times tau and the magnitude of the vertical deformation is not necessarily enhanced by having a partially relaxing lower lithosphere.

Cohen, S. C.↗

Postseismic deformation due to subcrustal viscoelastic relaxation following dip-slip earthquakes

The deformation of the earth following a dip-slip earthquake is calculated using a three layer rheological model and finite element techniques. The three layers are an elastic upper lithosphere, a standard linear solid lower lithosphere, and a Maxwell viscoelastic asthenosphere - a model previously analyzed in the strike-clip case (Cohen, 1981, 1982). Attention is focused on the magnitude of the postseismic subsidence and the width of the subsidence zone that can develop due to the viscoelastic response to coseismic reverse slip. Detailed analysis for a fault extending from the surface to 15 km with a 45 deg dip reveals that postseismic subsidence is sensitive to the depth to the asthenosphere but is only weakly dependent on lower lithosphere depth. The greatest subsidence occurs when the elastic lithosphere is about 30 km thick and the asthenosphere lies just below this layer (asthenosphere depth = 2 times the fault depth). The extremum in the subsidence pattern occurs at about 5 km from the surface trace of the fault and lies over the slip plane. In a typical case after a time t = 30 tau (tau = Maxwell time) following the earthquake, the subsidence at this point is 60 percent of the coseismic uplift. Unlike the horizontal deformation following a strike slip earthquake, significant vertical deformation due to asthenosphere flow persists for many times tau and the magnitude of the vertical deformation is not necessarily enhanced by having a partially relaxing lower lithosphere. Previously announced in STAR as N83-13683

Cohen, S. C.↗

Constraint and size effects in confined layer plasticity

Plane strain finite element analyses are used to model the experiments for a thin metal layer confined between elastic solids. Here, the thin metal layer undergoes elastic-plastic deformations, here modelled by strain gradient plasticity, while the rest of the solid deforms only elastically. Plane strain is assumed and finite strains are accounted for. The microscopic boundary condition at the band interface is initially taken to be zero plastic strain increment, but plastic straining at the interface is allowed when the plastic strain gradient at the interface has exceeded a critical value. When the narrow metal band is inclined 45° relative to the direction of compression of the solid simple shear develops in the band and predictions are rather similar to those of a one-dimensional analysis for an infinite band. For a band at 90° the elastic parts give significant constraint on plastic flow, the stress fields are non-uniform along the band and the average nominal compressive stress shows strong sensitivity to the layer thickness and to the width of the specimen. Remarkably good qualitative, and in some cases quantitative, agreement is found with the experimental observations. Considering also other band angles, both the average nominal shear and compressive stress show variations with the angle.

36 MATERIALS SCIENCE↗

Sputtering as a Technique for Applying Tribological Coatings

Friction and wear induced mechanical failures may be controlled to extend the life of tribological components through the interposition of selected solid materials between contacting surfaces. Thin solid films of soft and hard materials are appropriate to lower friction and enhance the wear resistance of precision tribo-elements. Thin film coating technologies that have been developed may be used to interpose thin solid layers between contacting surfaces to reduce friction or to extend wear life. Film deposition technologies developed include chemical vapor deposition (CVD) and physical vapor deposition (PVD). Sputter coating is a PVD process for thin film deposition. It allows close control of coating thickness and composition and is well-suited for the deposition of tribological coatings. In this paper, the utility of magnetron sputtering for the deposition of tribological coatings is examined. Experimental results obtained when coated bodies are tested under a number of tribological operating conditions are presented. It is shown that when film adhesion problems are resolved, sputtering can be an effective means of depositing tribological coatings.

S Ramalingam↗

Unstructured Cartesian/prismatic grid generation for complex geometries

The generation of a hybrid grid system for discretizing complex three dimensional (3D) geometries is described. The primary grid system is an unstructured Cartesian grid automatically generated using recursive cell subdivision. This grid system is sufficient for computing Euler solutions about extremely complex 3D geometries. A secondary grid system, using triangular-prismatic elements, may be added for resolving the boundary layer region of viscous flows near surfaces of solid bodies. This paper describes the grid generation processes used to generate each grid type. Several example grids are shown, demonstrating the ability of the method to discretize complex geometries, with very little pre-processing required by the user.

Karman, Steve L., Jr.↗

Borophenes, boron layer allotropes and methods of preparation

A method of preparing an atomically-dimensioned elemental boron allotrope includes providing a substrate at a temperature greater than about 200° C.; generating elemental boron vapor from a solid elemental boron source; and contacting said substrate with said boron vapor for at least one of a rate and at a pressure sufficient to deposit on said substrate a boron allotrope comprising an elemental boron layer comprising a boron atomic thickness dimension, said method under negative pressure.

Hersam, Mark C.↗

A hybrid topological quantum state in an elemental solid

Topology and interactions are foundational concepts in the modern understanding of quantum matter. Their nexus yields three important research directions: (1) the competition between distinct interactions, as in several intertwined phases, (2) the interplay between interactions and topology that drives the phenomena in twisted layered materials and topological magnets, and (3) the coalescence of several topological orders to generate distinct novel phases. The first two examples have grown into major areas of research, although the last example remains mostly unexplored, mainly because of the lack of a material platform for experimental studies. Here, using tunnelling microscopy, photoemission spectroscopy and a theoretical analysis, we unveil a ‘hybrid’ topological phase of matter in the simple elemental-solid arsenic. Through a unique bulk-surface-edge correspondence, we uncover that arsenic features a conjoined strong and higher-order topology that stabilizes a hybrid topological phase. Although momentum-space spectroscopy measurements show signs of topological surface states, real-space microscopy measurements unravel a unique geometry of topologically induced step-edge conduction channels revealed on various natural nanostructures on the surface. Using theoretical models, we show that the existence of gapless step-edge states in arsenic relies on the simultaneous presence of both a non-trivial strong Z 2 invariant and a non-trivial higher-order topological invariant, which provide experimental evidence for hybrid topology. Finally, our study highlights pathways for exploring the interplay of different band topologies and harnessing the associated topological conduction channels in engineered quantum or nano-devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interfacial Hydrogen-Bond Dynamics in Transition Metal Compounds

Understanding how water behaves when confined within atomic layers of active transition-metal carbides, nitrides, and carbonitrides is essential for uncovering the fundamental principles needed to engineer solid–liquid interfaces at the atomic scale. Yet, how lattice element chemistry and surface termination groups collectively regulate the structure and mobility of such interlayer water remains poorly understood. Here, we present a composition-controlled investigation of interlayer water dynamics in layered transition-metal nitride, carbide, and carbonitride systems using a systematic integration of quasi-elastic neutron scattering (QENS), ab initio molecular dynamics (AIMD) simulations, and density functional theory (DFT) calculations. QENS measurements show that nitride-rich systems host mobile, translationally diffusing water with thermally activated self-diffusion coefficients on the order of 10 –10 m 2 s –1 , whereas mixed C/N lattices confine water to localized, nontranslational motion that is insensitive to temperature. AIMD and DFT reveal that lattice C/N chemistry and surface functional group composition reshape the first hydration layer by modulating the surface electronic structure and termination-dependent hydrogen-bond networks, leading to pronounced differences in water ordering and thermal resilience. On the other hand, fully carbide systems exhibit intermediate behavior, highlighting that water mobility is not primarily controlled by the hydration level alone but by the coupling between lattice composition and surface chemistry. Overall, this study establishes how surface chemistry and lattice composition jointly control interfacial hydrogen bond dynamics, offering a mechanistic framework for designing transition-metal layered materials with tailored interfacial transport properties.

Hydration↗

Simulation of Dynamic Crushing Behavior of Simulated Carbon/Epoxy Stanchions Using MAT58 and MAT213 in LS-DYNA

Carbon fiber-reinforced polymer (CFRP) composites have shown promise as a material for structures designed to absorb energy in crush-style impact loading. In complementing the lightweight and tailorable characteristics of CFRP structures, the benefits of impact energy absorption are particularly interesting in aerospace vehicles that require excellent crashworthiness performance. However, simulating the behavior of CFRP structures in dynamic, crushing-style impact loading is challenging because of the many damage and failure modes that are essential to capture in the model. For the present investigation, CFRP stanchions were tested using a crash sled experimental test rig. The stanchions were designed by the Composite Materials Handbook-17 (CMH-17) Crashworthiness Working Group for the purpose of comparing experimental crash sled tests to corresponding simulations of the tests. The stanchions are C-channel shaped and represent a geometry common in the interior of aerospace vehicle structures. Explicit simulations in LSDYNA were performed using a well-established composite material model (MAT58) and a next-generation material model (MAT213). Fully integrated shell elements were utilized instead of 3D solid elements to limit computation time. In all models, each of the sixteen plies were represented with individual layers of shell elements with tiebreak contact between each adjacent ply pair to simulate interlaminar fracture. Simulating the crushing of the stanchions occurred in two phases. First, the material models were calibrated using flat specimens that were manufactured with the same layup as the stanchions. While the original goal was calibration of material-related properties, meshdependent behavior was observed in simulations with either material model, and an unstructured mesh was selected to remediate undesirable mesh-dependent failure modes. Additionally, for both the MAT58 and MAT213 models, it was found that either the crush force or the failure mode could be modeled accurately, but no set of parameters could be identified to attain both results in the same model. Once satisfactory calibration was achieved, the same material parameters were applied to the stanchion crush simulations. The stanchion simulations showed that MAT213 more accurately predicted the experimentally determined crush force, and both material models predicted key aspects of the experimentally observed failure modes.

Composite Materials↗

A New Type of Hybrid Copper Iodide as Nontoxic and Ultrastable LED Emissive Layer Material

Perovskite-based light-emitting diodes (PeLEDs) are promising candidates for next-generation solid-state lighting and display technologies. However, all current high-performance PeLEDs contain a toxic element (lead) and suffer from relatively low stability. Herein, we report a new type of lead-free LED using low-cost, eco-friendly, and robust copper(I) iodide hybrid material as the emissive layer (EML). Specifically, they are composed of copper iodide chains and organic ligands through ionic and coordinate bonds. Their remarkable stability and solution processability stem from this unique multifold bonding feature. High-quality thin films of 1D-Cu 4 I 6 (bttmp) 2 were fabricated by a simple, one-step spin-coating process. They exhibit high photoluminescence quantum yield (91%) and long-term air stability (>2000 h). An EQE of 5.02% was achieved for a prototype yellow LED using 1D-Cu 4 I 6 (bttmp) 2 EML. Its half-lifetime of 35.5 h obtained in open air outperforms that of most PeLEDs reported to date. Finally, this work opens a new direction for making LEDs based on ecofriendly and robust hybrid materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Formation of Bimetallic Nanoparticles via Exsolution Using a Reducible Metal Oxide Capping Layer

Bimetallic nanoparticles are promising catalysts that can improve performance in heterogeneous catalysis and solid-state electrochemistry. Exsolution is a useful method for forming such nanoparticles; however, it is limited by the elements present within the host oxide lattice. Here, in this work, we develop and demonstrate a strategy to form bimetallic particles from La 0.5 Sr 0.5 Ti 0.94 Ni 0.06 O 3 (LSTN) exsolution and using a reducible SnO 2 capping layer, expanding the range of elements available for bimetallic nanoparticle formation. Using this capping layer strategy, we formed nickel–tin (Ni 0 –Sn 0 ) bimetallic nanoparticles via exsolution. We used in situ near-ambient pressure X-ray photoelectron spectroscopy to monitor surface chemical changes during exsolution, showing that first, SnO 2 volatilized. This SnO 2 loss exposed the perovskite surface of LSTN to reducing conditions, which induced Ni exsolution, and compounded with SnO 2 reduction led to the formation of bimetallic Ni 0 –Sn 0 particles. To evaluate the associated microstructural evolution, we measured grazing incidence small-angle X-ray scattering (GISAXS), which confirmed the loss of the SnO 2 capping layer, and scattering simulations suggested the formation of bimetallic particles. We confirmed the bimetallic nanoparticle composition and morphology by Auger spectroscopy and scanning transmission electron microscopy. The resulting bimetallic nanoparticles were smaller and more thermally stable than the monometallic Ni counterparts on LSTN. This capping layer and exsolution approach allow synthesizing multimetallic nanoparticles and can be applied to other reducible metal oxides and perovskite hosts, broadening the compositional space for advanced catalytic materials.

36 MATERIALS SCIENCE↗

Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

36 MATERIALS SCIENCE↗

Titanium disulfide-sulfur composites

A titanium disulfide-sulfur (TiS$_{2}$—S) composite particle contains a titanium disulfide (TiS$_{2}$) substrate having solid elemental sulfur (S) disposed directly on a surface of the TiS$_{2}$. The TiS$_{2}$ substrate has a layered crystalline hexagonal structure of space group P-3 ml and includes at least 100 distinct layers. The TiS$_{2}$ and S are present in the composite in a weight ratio (TiS$_{2}$:S) of 20:80 to 50:50. Cathodes and batteries containing the composite particle, as well as related methods, are also disclosed.

Abruna, Hector D.↗

Opaque Mineral Assemblages at Chondrule Boundaries in the Vigarano CV Chondrite: Evidence for Gas-Solid Reactions Following Chondrule Formation

Recent studies of opaque minerals in primitive ordinary chondrites suggest that metal grains exposed at chondrule boundaries were corroded when volatile elements recondensed after the transient heating event responsible for chondrule formation. Metal grains at chondrule boundaries in the Bishunpur (LL3.1) chondrite are rimmed by troilite and fayalite. If these layers formed by gas solid reaction, then the composition of the corrosion products can provide information on the chondrule formation environment. Given the broad similarities among chondrules from different chondrite groups, similar scale layers should occur on chondrules in other primitive meteorite groups. Here I report on metal grains at chondrule boundaries in Vigarano (CV3).

Lauretta, Dante S.↗

Finite Element Models for Electron Beam Freeform Fabrication Process

Electron beam freeform fabrication (EBF3) is a member of an emerging class of direct manufacturing processes known as solid freeform fabrication (SFF); another member of the class is the laser deposition process. Successful application of the EBF3 process requires precise control of a number of process parameters such as the EB power, speed, and metal feed rate in order to ensure thermal management; good fusion between the substrate and the first layer and between successive layers; minimize part distortion and residual stresses; and control the microstructure of the finished product. This is the only effort thus far that has addressed computer simulation of the EBF3 process. The models developed in this effort can assist in reducing the number of trials in the laboratory or on the shop floor while making high-quality parts. With some modifications, their use can be further extended to the simulation of laser, TIG (tungsten inert gas), and other deposition processes. A solid mechanics-based finite element code, ABAQUS, was chosen as the primary engine in developing these models whereas a computational fluid dynamics (CFD) code, Fluent, was used in a support role. Several innovative concepts were developed, some of which are highlighted below. These concepts were implemented in a number of new computer models either in the form of stand-alone programs or as user subroutines for ABAQUS and Fluent codes. A database of thermo-physical, mechanical, fluid, and metallurgical properties of stainless steel 304 was developed. Computing models for Gaussian and raster modes of the electron beam heat input were developed. Also, new schemes were devised to account for the heat sink effect during the deposition process. These innovations, and others, lead to improved models for thermal management and prediction of transient/residual stresses and distortions. Two approaches for the prediction of microstructure were pursued. The first was an empirical approach involving the computation of thermal gradient, solidification rate, and velocity (G,R,V) coupled with the use of a solidification map that should be known a priori. The second approach relies completely on computer simulation. For this purpose a criterion for the prediction of morphology was proposed, which was combined with three alternative models for the prediction of microstructure; one based on solidification kinetics, the second on phase diagram, and the third on differential scanning calorimetry data. The last was found to be the simplest and the most versatile; it can be used with multicomponent alloys and rapid solidification without any additional difficulty. For the purpose of (limited) experimental validation, finite element models developed in this effort were applied to three different shapes made of stainless steel 304 material, designed expressly for this effort with an increasing level of complexity. These finite element models require large computation time, especially when applied to deposits with multiple adjacent beads and layers. This problem can be overcome, to some extent, by the use of fast, multi-core computers. Also, due to their numerical nature coupled with the fact that solid mechanics- based models are being used to represent the material behavior in liquid and vapor phases as well, the models have some inherent approximations that become more pronounced when dealing with multi-bead and multi-layer deposits.

Chandra, Umesh↗

Oxidation mechanism in a refractory multiple-principal-element alloy at high temperature

Refractory multiple-principal-element alloys (RMPEAs) are promising structural materials to enable increased power efficiency in high-temperature oxidation environments, but the oxidation behavior and microstructures of the oxides, especially at the beginning of the oxidation, have received limited attention. Here, the oxidation mechanism in an equimolar W-Mo-Ta-Nb-V was investigated at 1300 °C and compared with the equimolar W-Mo-Ta-Nb alloy without V. The oxide scale on WMoTaNbV after 1 min exposure is shown to be composed of a degradation layer at the interface of the alloy/oxide, an initial oxide transition layer, followed by the main phase aggregate oxide layer, and an outermost oxide layer. At the early stage of oxidation, the absorption of oxygen by the RMPEA substrate forms a solid solution. Vanadium accelerates the initial degradation process as it forms VO. The initial oxidation-induced degradation of RMPEA follows a sequence governed by the free energy change accompanied by local element segregation. Liquid V-Mo oxides aggregate in the intermediate oxide layer. The inward growth of the oxide scale is controlled by the local composition changes, the orientation of the substrate, the crystal structure, and physical properties such as melting points of the oxides.

36 MATERIALS SCIENCE↗

On the dissolution of a borosilicate glass with the use of isotopic tracing – Insights into the mechanism for the long-term dissolution rate

An understanding of the mechanisms responsible for controlling the long-term corrosion rate of nuclear waste glass is paramount if reliable glass dissolution models are to be used to calculate the controlled release of radionuclides from nuclear waste glass under geologic disposal conditions. Additionally, understanding silicate glass dissolution is also important for natural glasses to understand the role from the dissolution of these glasses has on the composition of natural aquatic systems. Two general mechanisms appear to be responsible for the elemental release from glass to the surrounding biosphere - ion exchange (release principally of alkalis) and matrix dissolution (release of the structural components of the glass). Key unknowns related to these mechanisms are the impact of surface layers on the altered glass and how these layers participate in corrosion. To better understand the impact of these layers on glass corrosion, we made two glasses of the same elemental composition, but with selected elements enriched in specific isotopes, e.g. more 10 B than 11 B. We reacted these glasses for 1 y then the solutions from each were exchanged and the chemistry of the solutions and the solids were followed for another 2 y and in some cases 3 y. This allowed us to follow changes in the glasses with respect to these elements and how these elements were transported through the alteration layers with time and, for at least one element, into the glass. Results from these experiments demonstrate that the release behavior of different elements is strongly dependent on their structural role in the glass (e.g. network formers and modifiers), but, more importantly, the role of water transport and subsequent ion exchange has in the long-term dissolution of the glass studied here. In this article, we highlight the behavior of four elements: lithium, sodium, silicon, and boron. Lithium and sodium, network modifying elements, have similar chemistries. The behavior of Li could be tracked in more detail by following both 6 Li and 7 Li; Li penetrates through the gel layer in both directions without hinderance and into and released from the glass deeper than sodium. Silicon, a network forming element, reacts with the silica-rich alteration layer. Boron, a network forming element, does not accumulate in the gel or the pristine glass and has a very sharp elemental profile between the pristine glass and alteration layer. Boron, lithium, and sodium elemental profiles suggest that there is little if any transport control within the alteration layer. The correlation between the Li and Na profiles and that of a water species suggest that the limiting release is a steady state between the diffusion of a water species and matrix dissolution that results in a low release rate for alkali and this provides a steady driving force for the long-term dissolution of glass.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

RADiCAL—Precision Timing, Ultracompact, Radiation-Hard Electromagnetic Calorimetry

To address the challenges of providing high-performance calorimetry in future hadron collider experiments under conditions of high luminosity and high radiation (FCC-hh environments), we conducted R&D on advanced calorimetry techniques suitable for such operation, based on scintillation and wavelength-shifting technologies and photosensor (SiPM and SiPM-like) technology. In particular, we focused our attention on ultra-compact radiation-hard EM calorimeters based on modular structures (RADiCAL modules) consisting of alternating layers of the very dense absorber and scintillating plates, read out via radiation hard wavelength shifting (WLS) solid fiber or capillary elements to photosensors positioned either proximately or remotely, depending upon their radiation tolerance. RADiCAL modules provide the capability to measure simultaneously and with high precision the position, energy and timing of EM showers. This paper provides an overview of the instrumentation and photosensor R&D associated with the RADiCAL program.

Anderson, Thomas↗