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At least 883 records · Page 49

Fossil Microorganisms in Archaean

Ancient Archean and Proterozoic rocks are the model objects for investigation of rocks comprising astromaterials. The first of Archean fossil microorganisms from Baltic shield have been reported at the last SPIE Conference in 2005. Since this confeence biomorphic structures have been revealed in Archean rocks of Karelia. It was determined that there are 3 types of such bion structures: 1. structures found in situ, in other words microorganisms even-aged with rock matrix, that is real Archean fossils biomorphic structures, that is to say forms inhabited early formed rocks, and 3. younger than Archean-Protherozoic minerali microorganisms, that is later contamination. We made attempt to differentiate these 3 types of findings and tried to understand of burial of microorganisms. The structures belongs (from our point of view) to the first type, or real Archean, forms were under examination. Practical investigation of ancient microorganisms from Green-Stone-Belt of Northern Karelia turns to be very perspective. It shows that even in such ancient time as Archean ancient diverse world existed. Moreover probably such relatively highly organized cyanobacteria and perhaps eukaryotic formes existed in Archean world.

Astafleva, Marina↗

Electric field induced short range to long range structural ordering and its influence on the Eu{sup +3} photoluminescence in the lead-free ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3}

Eu{sup +3} was incorporated into the lattice of a lead-free ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} (NBT) as per the nominal formula Na{sub 0.5}Bi{sub 0.5−x}Eu{sub x}TiO{sub 3}. This system was investigated with regard to the Eu{sup +3} photoluminescence (PL) and structural behaviour as a function of composition and electric field. Electric field was found to irreversibly change the features in the PL spectra and also in the x-ray diffraction patterns below the critical composition x = 0.025. Detailed analysis revealed that below the critical composition, electric field irreversibly suppresses the structural heterogeneity inherent of the host matrix NBT and brings about a long range ferroelectric state with rhombohedral (R3c) distortion. It is shown that the structural disorder on the nano-scale opens a new channel for radiative transition which manifests as a new emission line branching off from the main {sup 5}D{sub 0}→{sup 7}F{sub 0} line along with a concomitant change in the relative intensity of the other crystal field induced Stark lines with different J values. The study suggests that Eu{sup +3} luminescence can be used to probe the relative degree of field induced structural ordering in relaxor ferroelectrics and also in high performance piezoelectric alloys where electric field couples very strongly with the lattice and structural degrees of freedom.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Role of Partial Crystallinity on Hydrogen Permeation in Fe–Ni–B–Mo Based Metallic Glass Membranes

A potentially exciting material for membrane separations are metallic glass materials due to their low cost, high elastic toughness and resistance to hydrogen embrittlement as compared to crystalline Pd-based membrane systems. However, at elevated temperatures and extended operation times structural changes including partial crystallinity may appear in these amorphous metallic systems. This study reports on the investigation of time and temperature dependent crystalline phase formation in conjunction with in situ crystallization/hydrogen permeation experiments at elevated temperatures. At temperatures near 400 C a FeNi crystalline phase appears as 22 vol.% inside the host amorphous matrix and the resulting composite structure remains stable over 3 h at temperature. The hydrogen permeation at 400 C of the partially crystalline material is similar to the fully amorphous material near 5 x 10{sup -9} mol H{sub 2}/m s Pa{sup 1/2}, while ambient temperature electrochemical permeation at 25 C revealed an order of magnitude decrease in the permeation of partially crystalline materials due to differences in the amorphous versus crystalline phase activation energy for hydrogen permeation.

08 HYDROGEN↗

Current Density Regulated Atomic to Nanoscale Process on Li Deposition and Solid Electrolyte Interphase Revealed by Cryogenic Transmission Electron Microscopy

Current density has been perceived to play a critical rule for controlling Li deposition morphology and solid electrolyte interphase (SEI). However, the atomic level mechanism of current density on Li deposition and the SEI remains unclear. In this work, based on cryogenic transmission electron microscopy imaging combined with energy dispersive X-ray spectroscopy and electron energy loss spectroscopy electronic structure analyses, we reveal the atomic level correlation of Li deposition morphology and SEI with current density. We discover that increasing current density leads to increased overpotential for Li nucleation and growth, leading to the transition from growth-limited to nucleation-limited mode for Li dendrite. Independence of current density, the electrochemically deposited Li metal (EDLi) exhibits crystalline whisker-like morphology. The SEI formed at low current density (0.1 mA cm -2 ) is monolithic amorphous; while, a current density of above 2 mA cm -2 leads to a mosaic structured SEI, featuring an amorphous matrix with Li 2 O and LiF dispersoids, and the thickness of the SEI increases with the increase of current density. Uniquely, the Li 2 O particles is spatially located at the top surface of the SEI, while LiF is spatially adjacent to the Li-SEI interface. These results highlight the possible tuning of crucial structural and chemical features of EDLi and SEI through altering deposit conditions and consequently direct correlation with electrochemical performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging peptide–cellulose interactions to tailor the hierarchy and mechanics of peptide–polymer hybrids

Inspired by spider silk's hierarchical diversity, we leveraged peptide motifs with the capability to tune structural arrangement for controlling the mechanical properties of a conventional polymer framework. The addition of nanofiller with hydrogen bonding sites was used as another pathway towards hierarchical tuning via matrix–filler interactions. Specifically, peptide–polyurea hybrids (PPUs) were combined with cellulose nanocrystals (CNCs) to develop mechanically-tunable nanocomposites via tailored matrix–filler interactions (or peptide–cellulose interactions). In this material platform, we explored the effect of these matrix–filler interactions on the secondary structure, hierarchical ordering, and mechanical properties of the peptide hybrid nanocomposites. Interactions between the peptide matrix and CNCs occur in all of the PPU/CNC nanocomposites, preventing α-helical ordering, but promoting inter-molecular hydrogen bonded β-sheet formation. Depending on peptide and CNC content, the Young's modulus varies from 10 to 150 MPa. Unlike conventional cellulose-reinforced polymer nanocomposites, the mechanical properties of these composite materials are dictated by a balance of CNC reinforcement, peptidic ordering, and microphase-separated morphology. This research highlights that leveraging peptide–cellulose interactions is a strategy to create materials with targeted mechanical properties for a specific application using a limited selection of building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-density percutaneous chronic connector for neural prosthetics

A high density percutaneous chronic connector, having first and second connector structures each having an array of magnets surrounding a mounting cavity. A first electrical feedthrough array is seated in the mounting cavity of the first connector structure and a second electrical feedthrough array is seated in the mounting cavity of the second connector structure, with a feedthrough interconnect matrix positioned between a top side of the first electrical feedthrough array and a bottom side of the second electrical feedthrough array to electrically connect the first electrical feedthrough array to the second electrical feedthrough array. The two arrays of magnets are arranged to attract in a first angular position which connects the first and second connector structures together and electrically connects the percutaneously connected device to the external electronics, and to repel in a second angular position to facilitate removal of the second connector structure from the first connector structure.

42 ENGINEERING↗

Geometry of matrix product states: Metric, parallel transport, and curvature

We study the geometric properties of the manifold of states described as (uniform) matrix product states. Due to the parameter redundancy in the matrix product state representation, matrix product states have the mathematical structure of a (principal) fiber bundle. The total space or bundle space corresponds to the parameter space, i.e., the space of tensors associated to every physical site. The base manifold is embedded in Hilbert space and can be given the structure of a Kähler manifold by inducing the Hilbert space metric. Our main interest is in the states living in the tangent space to the base manifold, which have recently been shown to be interesting in relation to time dependence and elementary excitations. By lifting these tangent vectors to the (tangent space) of the bundle space using a well-chosen prescription (a principal bundle connection), we can define and efficiently compute an inverse metric, and introduce differential geometric concepts such as parallel transport (related to the Levi-Civita connection) and the Riemann curvature tensor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Geochemical Comparison of Four Cores from the Manson Impact Structure

Concentrations of 33 elements were determined in relatively unaltered, matrix-rich samples of impact breccia at approximately 3-m-depth intervals in the M-1 core from the Manson impact structure, Iowa. In addition, 46 matrix-rich samples from visibly altered regions of the M-7, M-8, and M-10 cores were studied, along with 42 small clasts from all four cores. Major element compositions were determined for a subset of impact breccias from the M-1 core, including matrix-rich impact-melt breccia. Major- and trace-element compositions were also determined for a suite of likely target rocks. In the M-1 core, different breccia units identified from lithologic examination of cores are compositionally distinct. There is a sharp compositional discontinuity at the boundary between the Keweenawan-shale-clast breccia and the underlying unit of impact-melt breccia (IMB) for most elements, suggesting minimal physical mixing between the two units during emplacement. Samples from the 40-m-thick IMB (M-1) are all similar to each other in composition, although there are slight increases in concentration with depth for those elements that have high concentrations in the underlying fragmental-matrix suevite breccia (SB) (e.g., Na, Ca, Fe, Sc), presumably as a result of greater clast proportions at the bottom margin of the unit of impact-melt breccia. The high degree of compositional similarity we observe in the impact-melt breccias supports the interpretation that the matrix of this unit represents impact melt. That our analyses show such compositional similarity results in part from our technique for sampling these breccias: for each sample we analyzed a few small fragments (total mass: approximately 200 mg) selected to be relatively free of large clasts and visible signs of alteration instead of subsamples of powders prepared from a large mass of breccia. The mean composition of the matrix-rich part of impact-melt breccia from the M-1 core can be modeled as a mixture of approximately 35% shale and siltstone (Proterozoic "Red Clastics"), 23% granite, 40% hornblende-biotite gneiss, and a small component (less than 2%) of mafic-dike rocks.

Korotev, Randy L.↗

Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language

The computation of two-electron repulsion integrals (ERIs) is often the most expensive step of integral-direct self-consistent field methods. Formally it scales as O(N 4 ), where N is the number of Gaussian basis functions used to represent the molecular wave function. In practice, this scaling can be reduced to O(N 2 ) or less by neglecting small integrals with screening methods. The contributions of the ERIs to the Fock matrix are of Coulomb (J) and exchange (K) type and require separate algorithms to compute matrix elements efficiently. We previously implemented highly efficient GPU-accelerated J-matrix and K-matrix algorithms in the electronic structure code TeraChem. Although these implementations supported the use of multiple GPUs on a node, they did not support the use of multiple nodes. This presents a key bottleneck to cutting-edge ab initio simulations of large systems, e.g., excited state dynamics of photoactive proteins. We present our implementation of multinode multi-GPU J- and K-matrix algorithms in TeraChem using the Regent programming language. Regent directly supports distributed computation in a task-based model and can generate code for a variety of architectures, including NVIDIA GPUs. We demonstrate multinode scaling up to 45 GPUs (3 nodes) and benchmark against hand-coded TeraChem integral code. Finally, we also outline our metaprogrammed Regent implementation, which enables flexible code generation for integrals of different angular momenta.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modal analysis of multistage gear systems coupled with gearbox vibrations

An analytical procedure to simulate vibrations in gear transmission systems is presented. This procedure couples the dynamics of the rotor-bearing gear system with the vibration in the gear box structure. The model synthesis method is used in solving the overall dynamics of the system, and a variable time-stepping integration scheme is used in evaluating the global transient vibration of the system. Locally each gear stage is modeled as a multimass rotor-bearing system using a discrete model. The modal characteristics are calculated using the matrix-transfer technique. The gearbox structure is represented by a finite element models, and modal parameters are solved by using NASTRAN. The rotor-gear stages are coupled through nonlinear compliance in the gear mesh while the gearbox structure is coupled through the bearing supports of the rotor system. Transient and steady state vibrations of the coupled system are examined in both time and frequency domains. A typical three-geared system is used as an example for demonstration of the developed procedure.

Choy, F. K.↗

Generic FEPs Catalogue and Salt Knowledge Archive

This report describes the development of a comprehensive catalogue of generic features, events, and processes (FEPs) that are potentially important for the post-closure performance of a repository for high-level radioactive waste (HLW) and spent nuclear fuel (SNF) in salt (halite) host rock. The FEPs and other supporting information have been entered into a “SaltFEP” Database. The generic salt repository FEPs include consideration of relevant FEPs from a number of U.S., Dutch, German, and international FEP lists and should be a suitable starting point for any repository program in salt host rock. The salt FEP catalogue and database employ a FEP classification matrix approach that is based on the concept that a FEP is typically a process or event acting upon or within a feature. The FEP matrix provides a two-dimensional structure consisting of a Features/Components axis that defines the “rows” and a Processes/Events axis that defines the “columns” of the matrix. The design of the FEP classification matrix is consistent with repository performance assessment – the Features/Components axis is organized vertically to generally correspond to the direction of potential radionuclide migration (from the waste to the biosphere) and the Processes/Events axis is designed to represent the common two-way couplings between thermal processes and other processes (such as thermal-mechanical or thermal-hydrologic processes). Related FEPs can be easily identified – related FEPs will typically be grouped in a single matrix cell or aligned along a common row (Feature/Component) or column (Process/Event). The online SaltFEP database can be downloaded from www.saltfep.org. It contains the FEP matrix, the FEPs, and the associated processes for each FEP. It provides a starting point to create and document site-specific individual FEPs. Furthermore, the FEP matrix is connected to the Salt Knowledge Archive (SKA), a database of about 20,000 references and documents representing the historical knowledge on radioactive disposal in salt. This work is the result of an ongoing collaboration between researchers in the U.S., the Netherlands, and Germany, and supports the NEA Salt Club Mandate. It builds upon prior work which is documented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Crosslink Density and Molecular Weight Effects on the Viscoelastic Response of a Glassy High-Performance Polyimide

Durability and long-term performance are among the primary concerns for the use of advanced polymer matrix composites (PMCs) in modern aerospace structural applications. For a PMC subJected to long-term exposure at elevated temperatures. the viscoelastic nature of the polymer matrix will contribute to macroscopic changes in composite stiffness, strength and fatigue life. Over time. changes in the polymer due to physical aging will have profound effects on tile viscoelastic compliance of the material, hence affecting its long-term durability. Thus, the ability to predict material performance using intrinsic properties, such as crosslink density and molecular weight, would greatly enhance the efficiency of design and development of PMCs. The objective of this paper is to discuss and present the results of an experimental study that considers the effects of crosslink density, molecular weight and temperature on the viscoelastic behavior including physical aging of an advanced polymer. Five distinct variations in crosslink density were used to evaluate the differences in mechanical performance of an advanced polyimide. The physical aging behavior was isolated by conducting sequenced, short-term isothermal creep compliance tests in tension. These tests were performed over a range of sub-glass transition temperatures. The material constants, material master curves and physical aging-related parameters were evaluated as a function of temperature crosslink density and molecular weight using time-temperature and time-aging time superposition techniques.

Nicholson, Lee M.↗

Boron Nitride-Driven Strengthening of Aluminum Composites via Friction Stir Processing

Friction stir welding and processing (FSW/P) has emerged as an effective solid-state joining technique for fabricating metal matrix composites (MMCs), offering improved mechanical properties through refined microstructural evolution. In this study, an aluminum-boron nitride nanoparticle (Al-BNNP) composite was synthesized via FSW, and its indentation-based mechanical properties were systematically evaluated. Microhardness mapping across the weld cross-section revealed a progressive increase in hardness toward the stir zone (SZ), attributed to severe plastic deformation, dynamic recrystallization (DRX), and the reinforcing effect of BNNPs. Profilometry-based indentation plastometry (PIP) inferred yield strength (YS) demonstrates a 47.8% increase compared to the base metal (BM) and a 75% improvement compared to FSP pure aluminum reported in literature. This enhancement is attributed to strengthening mechanisms, including grain boundary pinning, load transfer, and increased dislocation density. The strain rate sensitivity (SRS) measurements at the nanoscale demonstrated a substantial decrease in the SZ, correlated with ultrafine grain structures and strong BNNP-matrix interactions. Activation volume analysis revealed a significant reduction in the SZ, suggesting that dislocation motion is increasingly restricted by dislocation-dislocation and dislocation-particle interactions. These findings suggest that incorporating BNNPs in FSW/P enables tailoring the microstructure without thermal degradation of the secondary particles, thereby significantly enhancing the mechanical performance of aluminum composites, particularly for structural applications in aerospace and automotive industries.

Aluminum↗

Photoconductivity of composite structures based on porous SnO{sub 2} sensitized with CdSe nanocrystals

The introduction of CdSe nanocrystals (colloidal quantum dots) into a porous SnO{sub 2} matrix brings about the appearance of photoconductivity in the structures. Sensitization is a consequence of charge exchange between the quantum dots and the matrix. Photoconductivity spectral measurements show that the nanocrystals embedded into the matrix are responsible for the optical activity of the structure. The photoconductivity of the structures sensitized with different-sized quantum dots is studied in the temperature range from 77 to 300 K. It is shown that the maximum photoconductivity is attained by introducing nanocrystals of the minimum size (2.7 nm). The mechanisms of charge-carrier transport in the matrix and the charge-exchange kinetics are discussed.

36 MATERIALS SCIENCE↗

Measurement of multiaxial ply strength by an off-axis flexure test

An off-axis flexure (OAF) test was performed to measure ply strength under multiaxial stress states. This test involves unidirectional off-axis specimens loaded in bending, using an apparatus that allows these anisotropic specimens to twist as well as flex without the complications of a resisting torque. A 3D finite element stress analysis verified that simple beam theory could be used to compute the specimen bending stresses at failure. Unidirectional graphite/epoxy specimens with fiber angles ranging from 90 deg to 15 deg have combined normal and shear stresses on their failure planes that are typical of 45 deg plies in structural laminates. Tests for a range of stress states with AS4/3501-6 specimens showed that both normal and shear stresses on the failure plane influenced cracking resistance. This OAF test may prove to be useful for generating data needed to predict ply cracking in composite structures and may also provide an approach for studying fiber-matrix interface failures under stress states typical of structures.

Crews, John H., Jr.↗

Pionless effective field theory evaluation of nuclear polarizability in muonic deuterium

In this paper, we calculate the longitudinal structure function of the deuteron up through next-to-next-to-leading order in the framework of pionless effective field theory. We use these results to compute the two-photon polarizability contribution to Lamb shift in muonic deuterium, which can be utilized to extract the nuclear charge radius of the deuteron. We present analytical expressions order-by-order for the relevant transition matrix elements and the longitudinal structure function, and we give numerical results for the corresponding contributions to the Lamb shift. We also discuss the impact of relativistic and other higher-order effects. We find agreement with previous calculations and explain the accuracy of our calculation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Influences of Neutron Irradiation on Aggregate Induced Degradation of Concrete

Reactor cavity concrete, the primary support structure for the reactor pressure vessel (RPV), is exposed to chronic neutron/gamma radiation during normal operation. During long term operation, the interaction of neutron irradiation with the concrete’s constituents may cause premature degradation of the concrete structure, as highlighted by a review of concrete properties in nuclear power plant environments. At high fluence levels, as in biological shielding, neutron irradiation may cause amorphization of the crystalline components of concrete, i.e., mineral aggregates, and volume changes, which are typically expansive in nature. Volume expansion can generate tensile stresses within concrete which can induce microcracking and/or result in debonding of aggregate with the matrix. On the other hand, structural disordering can result in changes in the stability of the phase in aqueous environments. This report presents the findings of investigations performed over 3 years through the collaboration of researchers from University of California, Los Angeles, Arizona State University, and Oak Ridge National Laboratory. The first part of the study addresses the effect of neutron irradiation on the durability of aggregates. Comparisons of aqueous dissolution rates, as a function of pH and temperature, were performed for aggregates that are either pristine (i.e., non-irradiated) or exposed to Ar+ ion irradiation at specified doses. These experimental results were coupled with molecular dynamics simulations of atomic scale changes in the crystallographic structure of the mineral and any resulting changes in physical properties (e.g., density) that result. The second section focuses on macroscopic effects of such changes in aggregate behavior in concrete degradation, primarily through changes in the concrete’s microstructure. Particularly, the effects akin to those originating from alkali-silica reaction (ASR) were evaluated. The project is structured to encompass 6 main tasks, as follows: Task 1: Selection of aggregates in relation to their abundance and mineralogy, and their irradiation Task 2: Molecular dynamics (MD): The effects of irradiation on the atomic disordering of aggregates Task 3: The influences of irradiation on aggregate reactivity Task 4: Reactive-transport simulation of expansive product formation in concrete microstructures Task 5: X-FEM-based modeling of damage evolution due to irradiation-induced aggregates reactions Task 6: Benchmarking, verification and validation of the simulation modules Thus, a rigorous understanding of irradiation-assisted mineral alterations was used to develop a mechanistic degradation model for concrete exposed to neutrons, while considering aspects of: chemical reaction (dissolution and precipitation), mass and ion transport, and damage evolutions. The models developed were embedded in a multi-physics aging code for nuclear components and structures called Grizzly, which allows for benchmarking, verification, and validation against expansion data acquired on concrete undergoing alkali-silica reaction, a physically/chemically equivalent form of degradation that develops in the absence of radiation. These findings provide insight into the sensitivities of minerals to irradiation, by highlighting characteristics of concretes and power plants subject to such risks. The research will aid the nuclear power industry to anticipate and mitigate such risks in light of second license renewals.

36 MATERIALS SCIENCE↗

Structure and magnetism of nanocrystalline and epitaxial (Mn,Zn,Fe) 3 O 4 thin films

We study nanocrystalline (NC) textured Mn 0.5 Zn 0.6 Fe 1.9 O 4 (MZFO) films, grown at room temperature on both isostructural and non-isostructural substrates, that show magnetization values significantly suppressed from epitaxial MZFO films. X-ray absorption spectroscopy and x-ray magnetic circular dichroism measurements indicate larger ratios of Fe 3+ to Fe 2+ ions on the tetrahedral sites in the NC films compared to the epitaxialfilms. The magnetization loops of the NC films are shifted by 200-400 Oe at low temperatures. No such effect is observed in the epitaxialfilms. In conclusion, we hypothesize that the presence of a more structurally disordered, possibly magnetically frustrated, matrix exchange biases the crystalline regions.

36 MATERIALS SCIENCE↗