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Using our open-source programming environment Morpho, an energy-optimization method is developed to compute equilibrium shapes of an arbitrarily confined swollen hydrogel. The internal strains and contact forces are measured, probing its mechanics.
Luminescence spectroscopic and temporal dynamic properties of high energy elementary excitations in CdF{sub 2}-CaF{sub 2} superlattices have been studied utilising excitation with vacuum ultraviolet and X-ray synchrotron radiation while comparing the results with those obtained for CdF{sub 2} and CaF{sub 2} bulk crystals. It is shown that the optical properties of the superlattice structures are determined by exciton emission in the CdF{sub 2} monolayers. The experimental manifestations of exciton confinement phenomena are discussed.
Fast, accurate three dimensional reconstructions of plasma equilibria, crucial for physics interpretation of fusion data generated within confinement devices like stellarators/ tokamaks, are computationally very expensive and routinely require days, even weeks, to complete using serial approaches. Here, we present a parallel implementation of the three dimensional plasma reconstruction code, V3FIT. A formal analysis to identify the performance bottlenecks and scalability limits of this new parallel implementation, which combines both task and data parallelism, is presented. The theoretical findings are supported by empirical performance results on several thousands of processor cores of a Cray XC30 supercomputer. Parallel V3FIT is shown to deliver over 40X speedup, enabling fusion scientists to carry out three dimensional plasma equilibrium reconstructions at unprecedented scales in only a few hours (instead of in days/weeks) for the first time.
This project is part of an ongoing and long-term collaboration among Alexandra Navrotsky (who moved recently from UC Davis to Arizona State University), Nancy Ross at Virginia Tech, and Brian Woodfield at Brigham Young University (BYU) on the thermodynamics and lattice dynamics of nanophase and porous materials. Navrotsky emphasizes energetics of formation and guest molecule sorption by ambient and high temperature calorimetry, Woodfield contributes cryogenic heat capacity measurements, and Ross uses inelastic neutron scattering, X-ray and neutron diffraction, and high pressure studies to probe lattice dynamics and phase transitions. Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size.
The behavior of fluids under nano-confinement varies from that in bulk due to an interplay of several factors including pore connectivity. In this work, we use molecular dynamics simulations to study the behavior of two fluids—ethane and CO2 confined in ZSM-22, a zeolite with channel-like pores of diameter 0.55 nm isolated from each other. By comparing the behavior of the two fluids in ZSM-22 with that reported earlier in ZSM-5, a zeolite with pores of similar shape and size connected to each other via sinusoidal pores running perpendicular to them, we reveal the important role of pore connectivity. Further, by artificially imposing pore connectivity in ZSM-22 via inserting a 2-dimensional slab-like inter-crystalline space of thickness 0.5 nm, we also studied the effect of the dimensionality and geometry of pore connectivity. While the translational motion of both ethane and CO2 in ZSM-22 is suppressed as a result of connecting the pores by perpendicular quasi-one-dimensional pores of similar dimensions, the effect of connecting the pores by inserting the inter-crystalline space is different on the translational motion of the two fluids. For ethane, pores connected via inter-crystalline space facilitate translational motion but suppress rotational motion, whereas in the case of CO2, both types of motion are suppressed by pore connection due to the strong interaction of CO2 with the surface of the substrate.
Inertial confinement fusion (ICF) targets are designed to produce hot, dense fuel in a neutron-producing core that is surrounded by a shell of compressing material. The x-rays emitted from ICF plasmas can be analyzed to reveal details of the temperatures, densities, gradients, velocities, and mix characteristics of ICF targets. Such diagnostics are critical to understand the target performance and to improve the predictive power of simulation codes.
Achieving symmetric hohlraum radiation drive is an important aspect of indirectly driven inertial confinement fusion experiments. However, when experimentally delivered laser powers deviate from ideal conditions, the resultant radiation field can become asymmetric. Two situations in which this may arise are random uncorrelated fluctuations, in as-delivered laser power and laser beams that do not participate in the implosion (either intentionally or unintentionally). Furthermore, laser plasma interactions in the hohlraum obfuscate the connection between laser powers and radiation drive. To study the effect of these situations on drive symmetry, we develop a simplified model for crossed-beam energy transfer, laser backscatter, and plasma absorption that can be used in conjunction with view factor calculations to expediently translate laser powers into three-dimensional capsule flux symmetries. We find that crossed-beam energy transfer can alter both the statistical properties of uncorrelated laser fluctuations and the impact of missing laser beams on radiation symmetry. A method is proposed to mitigate the effects of missing laser beams.
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The performance of Inertial Confinement Fusion targets relies on the symmetric implosion of highly compressed fuel. X-ray area-backlit imaging is used to assess in-flight low mode 2D asymmetries of the shell. These time-resolved images of the shell exhibit features that can be related to the lift-off position of the membranes used to hold the capsule within the hohlraum. Here, we describe a systematic study of this membrane or “tent” thickness and its impact on the measured low modes for in-flight and self-emission images. The low mode amplitudes of the shell in-flight shape (P{sub 2} and P{sub 4}) are weakly affected by the tent feature in time-resolved, backlit data. By contrast, time integrated self-emission images along the same axis exhibit a reversal in perceived P{sub 4} mode due to growth of a feature seeded by the tent, which can explain prior inconsistencies between the in-flight P{sub 4} and core P{sub 4}, leading to a reevaluation of optimum hohlraum length. Simulations with a tent-like feature normalized to match the feature seen in the backlit images predict a very large impact on the capsule performance from the tent feature.
The deceleration stage of inertial confinement fusion implosions is modeled in detail using three-dimensional simulations designed to match experiments at the National Ignition Facility. In this final stage of the implosion, shocks rebound from the center of the capsule, forming the high-temperature, low-density hot spot and slowing the incoming fuel. The flow field that results from this process is highly three-dimensional and influences many aspects of the implosion. The interior of the capsule has high-velocity motion, but viscous effects limit the range of scales that develop. The bulk motion of the hot spot shows qualitative agreement with experimental velocity measurements, while the variance of the hot spot velocity would broaden the DT neutron spectrum, increasing the inferred temperature by 400–800 eV. Jets of ablator material are broken apart and redirected as they enter this dynamic hot spot. Deceleration stage simulations using two fundamentally different rad-hydro codes are compared and the flow field is found to be in good agreement.
Encouraging progress is being made in demonstrating control of ablation front hydrodynamic instability growth in inertial confinement fusion implosion experiments on the National Ignition Facility [E. I. Moses, R. N. Boyd, B. A. Remington, C. J. Keane, and R. Al-Ayat, Phys. Plasmas 16, 041006 (2009)]. Even once ablation front stabilities are controlled, however, instability during the stagnation phase of the implosion can still quench ignition. A scheme is proposed to reduce the growth of stagnation phase instabilities through the reverse of the “adiabat shaping” mechanism proposed to control ablation front growth. Two-dimensional radiation hydrodynamics simulations confirm that improved stagnation phase stability should be possible without compromising fuel compression.
Temporally resolved measurements of the hohlraum radiation flux asymmetry incident onto a bismuth coated surrogate capsule have been made over the first two nanoseconds of ignition relevant laser pulses. Specifically, we study the P2 asymmetry of the incoming flux as a function of cone fraction, defined as the inner-to-total laser beam power ratio, for a variety of hohlraums with different scales and gas fills. This work was performed to understand the relevance of recent experiments, conducted in new reduced-scale neopentane gas filled hohlraums, to full scale helium filled ignition targets. Experimental measurements, matched by 3D view factor calculations, are used to infer differences in symmetry, relative beam absorption, and cross beam energy transfer (CBET), employing an analytic model. Despite differences in hohlraum dimensions and gas fill, as well as in laser beam pointing and power, we find that laser absorption, CBET, and the cone fraction, at which a symmetric flux is achieved, are similar to within 25% between experiments conducted in the reduced and full scale hohlraums. This work demonstrates a close surrogacy in the dynamics during the first shock between reduced-scale and full scale implosion experiments and is an important step in enabling the increased rate of study for physics associated with inertial confinement fusion.
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Strain engineering is a well-known method often used to tune material properties in thin films. The most studied sources of strain are lattice mismatch and differential thermal contraction between the substrate and film. However, in materials which undergo a structural phase transition (SPT), a third and often overlooked source of strain may play a very significant role. If the substrate confines the area of the film, the SPT may induce stress which changes the evolution of the transition. This is a 2D analog of the isochoric phase transition between water and ice, where the freezing point drops below 0 °C. To illustrate this, the prototypical Mott insulator V 2 O 3 which has an SPT coupled to a metal–insulator transition is used to show how self-induced strain can drastically alter structural and electronic properties. This effect provides an elegant approach for mapping the phase diagram of the SPT and the transitions coupled to it. Moreover, the magnitude of self-straining is tunable by modifying the substrate morphology. Furthermore, this effect may be important for numerous materials which exhibit an SPT and are subjected to geometrical constraints.
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