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At least 469 records · Page 26

Dynamic fields near a crack tip growing in an elastic-perfectly-plastic solid

A full asymptotic solution is presented for the fields in the neighborhood of the tip of a steadily advancing crack in an incompressible elastic-perfectly-plastic solid. There are four findings for mode I crack growth in the plane strain condition. The first is that the entire crack tip in steady crack growth is surrounded by a plastic region and that no elastic unloading is predicted by the complete dynamic asymptotic solution. The second is that, in contrast to the quasi-static solution, the dynamic solution yields strain fields with a logarithmic singularity everywhere near the crack tip. The third is that whereas the stress field varies throughout the entire crack tip neighborhood, it does not exhibit behavior that can be approximated by a constant field followed by an essentially centered-fan field and then by another constant field, especially for small crack growth speeds. The fourth finding is that there are two shock fronts emanating from the crack tip across which certain stress and strain components undergo jump discontinuities. After reviewing the mode III steady-state crack growth, it is concluded that ductile fracture criteria for nonstationary cracks must be based on solutions that include the inertia effects and that for this purpose quasi-static solutions may be inadequate.

Nemat-Nasser, S.↗

The robot's eyes - Stereo vision system for automated scene analysis

Attention is given to the robot stereo vision system which maintains the image produced by solid-state detector television cameras in a dynamic random access memory called RAPID. The imaging hardware consists of sensors (two solid-state image arrays using a charge injection technique), a video-rate analog-to-digital converter, the RAPID memory, and various types of computer-controlled displays, and preprocessing equipment (for reflexive actions, processing aids, and object detection). The software is aimed at locating objects and transversibility. An object-tracking algorithm is discussed and it is noted that tracking speed is in the 50-75 pixels/s range.

Williams, D. S.↗

Space Science in the Twenty-First Century: Imperatives for the Decades 1995 to 2015

A unified program is outlined for studying the Earth, from its deep interior to its fluid envelopes. A system is proposed for measuring devices involving both space-based and in-situ observations that can accommodate simultaneously a large range of scientific needs. The scientific objectices served by this integrated infrastructure are cased into a framework of four grand themes. In summary these are: to determine the composition, structure, dynamics, and evolution of the Earth's crust and deeper interior; to establish and understand the structure, dynamics, and chemistry of the oceans, atmosphere, and cryosphere, and their interaction with the solid Earth; to characterize the history and dynamics of living organisms and their interaction with the environment; and to monitor and understand the interaction of human activities with the natural environment. A focus on these grand themes will help to understand the origin and fate of the planet, and to place it in the context of the solar system.

Source record↗

Optimized suspension culture: the rotating-wall vessel

Suspension culture remains a popular modality, which manipulates mechanical culture conditions to maintain the specialized features of cultured cells. The rotating-wall vessel is a suspension culture vessel optimized to produce laminar flow and minimize the mechanical stresses on cell aggregates in culture. This review summarizes the engineering principles, which allow optimal suspension culture conditions to be established, and the boundary conditions, which limit this process. We suggest that to minimize mechanical damage and optimize differentiation of cultured cells, suspension culture should be performed in a solid-body rotation Couette-flow, zero-headspace culture vessel such as the rotating-wall vessel. This provides fluid dynamic operating principles characterized by 1) solid body rotation about a horizontal axis, characterized by colocalization of cells and aggregates of different sedimentation rates, optimally reduced fluid shear and turbulence, and three-dimensional spatial freedom; and 2) oxygenation by diffusion. Optimization of suspension culture is achieved by applying three tradeoffs. First, terminal velocity should be minimized by choosing microcarrier beads and culture media as close in density as possible. Next, rotation in the rotating-wall vessel induces both Coriolis and centrifugal forces, directly dependent on terminal velocity and minimized as terminal velocity is minimized. Last, mass transport of nutrients to a cell in suspension culture depends on both terminal velocity and diffusion of nutrients. In the transduction of mechanical culture conditions into cellular effects, several lines of evidence support a role for multiple molecular mechanisms. These include effects of shear stress, changes in cell cycle and cell death pathways, and upstream regulation of secondary messengers such as protein kinase C. The discipline of suspension culture needs a systematic analysis of the relationship between mechanical culture conditions and biological effects, emphasizing cellular processes important for the industrial production of biological pharmaceuticals and devices.

Non-NASA Center↗

Solidification Furnace for In Situ Observation of Bulk Transparent Systems and Image Analysis Methods

This paper aims to describe the experimental framework of the Directional Solidification Insert (DSI), installed onboard the International Space Station (ISS), dedicated to the in situ and real-time characterization of the dynamic selection of the solid-liquid interface morphology in bulk samples of transparent materials under diffusive growth conditions. The in situ observation of the solid-liquid interface is an invaluable tool for gaining knowledge on the time-evolution of the interface pattern because the initial morphological instability evolves nonlinearly and undergoes a reorganization process. The result of each experiment, characterized by the sample concentration, a thermal gradient and a pulling rate, is a large number of images. Interpretation of these images necessitates a robust identification of each cell/dendrite position and size during the entire solidification. Several image analysis methods have been developed to achieve this goal reliably despite varying contrast and noise levels, and are described in details. Typical solidification experiments are presented and the dynamics of the pattern formation are analyzed to illustrate the application of the image analysis methods.

Programming languages↗

Understanding the Impacts of Support–Polymer Interactions on the Dynamics of Poly(ethyleneimine) Confined in Mesoporous SBA-15

Supported amines are a promising class of CO 2 sorbents offering large uptake capacities and fast uptake rates. Additionally, among supported amines, poly(ethyleneimine) (PEI) physically impregnated in the mesopores of SBA-15 silica is widely used. Within these composite materials, the chain dynamics and morphologies of PEI strongly influence the CO 2 capture performance, yet little is known about chain and macromolecule mobility in confined pores. Here, we probe the impact of the support–PEI interactions on the dynamics and structures of PEI at the support interface and the corresponding impact on CO 2 uptake performance, which yields critical structure–property relationships. The pore walls of the support are grafted with organosilanes with different chemical end groups to differentiate interaction modes (spanning from strong attraction to repulsion) between the pore surface and PEI. Combinations of techniques, such as quasi-elastic neutron scattering (QENS), 1 H T 1 –T 2 relaxation correlation solid-state NMR, and molecular dynamics (MD) simulations, are used to comprehensively assess the physical properties of confined PEI. We hypothesized that PEI would have faster dynamics when subjected to less attractive or repulsive interactions. However, we discover that complex interfacial interactions resulted in complex structure–property relationships. Indeed, both the chain conformation of the surface-grafted chains and of the PEI around the surface influenced the chain mobility and CO 2 uptake performance. By coupling knowledge of the dynamics and distributions of PEI with CO 2 sorption performance and other characteristics, we determine that the macroscopic structures of the hybrid materials dictate the first rapid CO 2 uptake, and the rate of CO 2 sorption during the subsequent gradual uptake stage is determined by PEI chain motions that promote diffusive jumps of CO 2 through PEI-packed domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit

Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achieve high spectral resolution. The challenges in delivering an energetic monochromated beam from an x-ray free electron laser (XFEL) thus limit its use in few-shot experiments, including for the study of high energy density systems. Here we demonstrate that by correlating the measurements of the self-amplified spontaneous emission (SASE) spectrum of an XFEL with the RIXS signal, using a dynamic kernel deconvolution with a neural surrogate, we can achieve electronic structure resolutions substantially higher than those normally afforded by the bandwidth of the incoming x-ray beam. We further show how this technique allows us to discriminate between the valence structures of Fe and Fe2O3, and provides access to temperature measurements as well as M-shell binding energies estimates in warm-dense Fe compounds.

74 ATOMIC AND MOLECULAR PHYSICS↗

Temperature Dependent Local Atomic Structure and Vibrational Dynamics of Barium Hydride and Calcium Hydride

Solid-state ionic conductors that exhibit pure ionic transport of hydride anions are rare. Here, we investigate two alkaline earth metal hydrides, barium hydride and calcium hydride, using neutron scattering techniques to understand how the local atomic environment plays a role in the diffusion of hydride ions. At high temperatures, barium hydride exhibits exceptional transport properties with ionic conductivities that are higher than those of many of the typical proton and oxide ion conductors in use today. Total neutron scattering and pair distribution function analysis reveal how a structural phase transition converts barium hydride from a modest ionic conductor into a fast ionic conductor through the introduction of disorder, deuterium site splitting, and dynamic structural fluctuations. Furthermore, neutron vibrational spectroscopy is employed to probe changes in the temperature evolution of the lattice dynamics and local energy landscape. These results improve our fundamental knowledge of the interplay between structure and dynamics governing a rare conduction process of hydride ions in solid-state materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Space Shuttle Structural Dynamics

The Space Shuttle consists of a orbiter, external tank, solid rocket boosters, payload, main engines, mobile launch platform and launch pad (Ground Ops). Structural Dynamics - All structures will vibrate at certain frequencies. The dynamics of the Space Shuttle must be understood in order to make sure it can survive, to control it, to make sure that it can perform its mission, and to keep it from aging prematurely. We understand the structural dynamics of the Space Shuttle by modelling, testing and flying it.

James, George↗

Fluid dynamics of the unsteady two phase processes leading to DDT in granular solid propellants

Deflagration to Detonation (DDT) was predicted to occur in porous beds of high-energy solid propellants by solving the unsteady fluid mechanical convective heat transfer from hot gas products, obtained from the rapid burning at high pressures, provides the impetus to develop a narrow combustion zone and a resulting strong shock. A parametric study clearly indicates that DDT occurs only when a combination of the solids loading fraction, the burning rate constants, the propellant chemical energy, and the particle size provide for critical energy and gas release to support a detonation wave. Predictions for the run-up length to detonation as a function of these parameters are presented.

Krier, H.↗

Determination of solid/porous wall boundary conditions from wind tunnel data for computational fluid dynamics codes

A computational and experimental study has been undertaken to investigate methods of modelling solid and porous wall boundary conditions in computational fluid dynamics (CFD) codes. The procedure utilizes experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution is then imposed as a pressure boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the boundary conditions at the wind tunnel walls using only sparse experimental measurements has been investigated. Verification of the approach using computational studies has been carried out using an incompressible flow solver. The current work demonstrates this technique for low speed flows and compares the result with experimental data obtained from a heavily instrumented variable porosity test section. Position and refinement of experimental measurements required to describe porous wall boundary conditions have also been considered for application to other porous wall wind tunnels. The approach developed is simple, computationally inexpensive, and does not require extensive or intrusive measurements. It may be applied to both solid and porous wall wind tunnel tests. Some consideration is given to the extension of this method to three dimensions.

Beutner, Thomas J.↗

Metal–Ligand Based Mechanophores Enhance Both Mechanical Robustness and Electronic Performance of Polymer Semiconductors

The backbone of diketopyrrolopyrrole-thiophene-vinylene-thiophene-based polymer semiconductors (PSCs) is modified with pyridine (Py) or bipyridine ligands to complex Fe(II) metal centers, allowing the metal–ligand complexes to act as mechanophores and dynamically crosslink the polymer chains. Here, mono- and bi-dentate ligands are observed to exhibit different degrees of bond strengths, which subsequently affect the mechanical properties of these Wolf-type-II metallopolymers. The counter ion also plays a crucial role, as it is observed that Py-Fe mechanophores with non-coordinating BPh 4 – counter ions (Py-FeB) exhibit better thin film ductility with lower elastic modulus, as compared to the coordinating chloro ligands (Py-FeC). Interestingly, besides mechanical robustness, the electrical charge carrier mobility can also be enhanced concurrently when incorporating Py-FeB mechanophores in PSCs. This is a unique observation among stretchable PSCs, especially that most reports to date describe a decreased mobility when the stretchability is improved. Next, it is determined that improvements to both mobility and stretchability are correlated to the solid-state molecular ordering and dynamics of coordination bonds under strain, as elucidated via techniques of grazing-incidence X-ray diffraction and X-ray absorption spectroscopy techniques, respectively. This study provides a viable approach to enhance both the mechanical and the electronic performance of polymer-based soft devices.

36 MATERIALS SCIENCE↗

Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions

The performance of lithium-ion batteries (LIB) using organic electrolytes strongly depends on the formation of a stable solid electrolyte interphase (SEI) film. Elucidating the dynamic evolution and spatial composition of the SEI can be very useful to study the stability of SEI components and help optimize the formation cycles of LIB. We propose a classical molecular dynamics simulation protocol for predicting the first stages of SEI formation using a reaction method involving the decomposition of EC and LiPF 6 molecules in the electrolyte. We accelerate the formation of SEI components near the anode surface by increasing the probability of reactions, implemented through a geometry matching scheme, followed by a force-field reconfiguration. We observe the formation of gases (C 2 H 4 ), inorganic (Li 2 CO 3 and LiF) and organic (LEDC) components. Finally, this protocol shows promise to be able to evaluate the effects of varying electrolyte compositions and additives on SEI layer structure and composition.

25 ENERGY STORAGE↗

Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites

Halide pervoskites are an important class of semiconducting materials that hold great promise for optoelectronic applications. In this work we investigate the relationship between vibrational anharmonicity and dynamic disorder in this class of solids. Via a multiscale model parametrized from first-principles calculations, we demonstrate that the non-Gaussian lattice motion in halide perovskites is microscopically connected to the dynamic disorder of overlap fluctuations among electronic states. This connection allows us to rationalize the emergent differences in temperature-dependent mobilities of prototypical MAPbI 3 and MAPbBr 3 compounds across structural phase transitions, in agreement with experimental findings. In conclusion, our analysis suggests that the details of vibrational anharmonicity and dynamic disorder can complement known predictors of electronic conductivity and can provide structure-property guidelines for the tuning of carrier transport characteristics in anharmonic semiconductors.

36 MATERIALS SCIENCE↗

CFD analysis of a solid pin-fueled small modular fluoride salt-cooled reactor

A computational fluid dynamics (CFD) study is performed for the pre-conceptual solid pin-fueled small modular fluoride salt-cooled reactor developed by the Oak Ridge National Laboratory (ORNL). The solid and fluid regions in a 1/12th section of a fuel assembly are modeled. The solid region includes fuel and non-fuel pins, with heat generation in the active region of the fuel pins. Two different power profiles, uniform and center-peaked, are considered. The FLiBe coolant flows from the bottom to the top of the core, parallel to the bank of fuel and non-fuel pins. The k-ω shear-stress transport (SST) model is chosen as the baseline turbulence model. The effects of grid refinement, inlet turbulence specification, and turbulence models on the temperature and pressure drop predictions are studied. Turbulence model sensitivity is investigated by comparing the results from the k-ω SST model with other two-equation models (k-ω baseline or BSL and k-ε realizable) as well as with anisotropic Reynolds stress transport models (linear pressure-strain and stress-BSL). Here the results show that the choice of turbulence model has a significant impact on the pin temperature and bundle pressure drop predictions. The results from the baseline turbulence model show good agreement between the fuel pin temperatures and bundle pressure drop values predicted using a subchannel model previously developed by the authors of the present study.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Recent studies of energy integrals and their applications

In this paper, recent studies concerning path independent integrals, of relevance in the fracture of solids, and the applications of these integrals, are critically summarized. Specific topics dealt with include: (1) unsteady dynamic crack-propagation in (nonlinear) elastic solids and (2) slow stable, as well as fast crack propagation in elastic-plastic materials, which are characterized by an (incremental) flow theory of plasticity, and which are subject to arbitrary loading (and unloading) histories.

Atluri, S. N.↗