Massively parallel X-ray scattering simulations

Sarje, Abhinav; Li, Xiaoye S.; Chourou, Slim; Chan, Elaine R.; Hexemer, Alexander

doi:10.1109/sc.2012.76

Cited by 5 publications

(2 citation statements)

References 4 publications

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“…A variety of elegant DWBA variants have been created to account for a variety of experimentally-relevant configurations [371,[379][380][381][382]. With care, one can quantitatively fit GISAXS data (some software packages now exist for the purpose [367,[383][384][385][386][387][388][389]).…”

Section: 2mentioning

confidence: 99%

Rapid ordering of block copolymer thin films

Majewski

Yager

2016

J. Phys.: Condens. Matter

156

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Block-copolymers self-assemble into diverse morphologies, where nanoscale order can be finely tuned via block architecture and processing conditions. However, the ultimate usage of these materials in real-world applications may be hampered by the extremely long thermal annealing times-hours or days-required to achieve good order. Here, we provide an overview of the fundamentals of block-copolymer self-assembly kinetics, and review the techniques that have been demonstrated to influence, and enhance, these ordering kinetics. We discuss the inherent tradeoffs between oven annealing, solvent annealing, microwave annealing, zone annealing, and other directed self-assembly methods; including an assessment of spatial and temporal characteristics. We also review both real-space and reciprocal-space analysis techniques for quantifying order in these systems.

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Section: 2mentioning

confidence: 99%

Rapid ordering of block copolymer thin films

Majewski

Yager

2016

J. Phys.: Condens. Matter

156

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“…This is actively being developed, especially for high throughput hard X-ray scattering beamlines. Packages such as HipGISAXS connect data collected at beamlines to supercomputers for on-the-fly analysis and modeling [104,95,105], opening new doors to increasing the efficiency of synchrotron experiments and understanding experimental results. Similar advancements are needed to complement soft X-ray techniques as highthroughput, in situ, and more complicated experiments become the norm.…”

Section: Simulating Resonant X-ray Scattering Patternsmentioning

confidence: 99%

Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

Cordova

Brady

2016

Polymer

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An improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and in operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide material or chemical moiety specific information. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. We focus on how the combination of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.

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Tuning HipGISAXS on Multi and Many Core Supercomputers

Sarje

Hexemer

2014

Lecture Notes in Computer Science

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Massively parallel X-ray scattering simulations

Cited by 5 publications

References 4 publications

Rapid ordering of block copolymer thin films

Rapid ordering of block copolymer thin films

Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

Tuning HipGISAXS on Multi and Many Core Supercomputers

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