Journal ArticleDOI
Microscopic View of Structural Phase Transitions Induced by Shock Waves
TLDR
Multimillion-atom molecular-dynamics simulations are used to investigate the shock-induced phase transformation of solid iron, finding that the dynamics and orientation of the developing close-packed grains depend on the shock strength and especially on the crystallographic shock direction.Abstract:
Multimillion-atom molecular-dynamics simulations are used to investigate the shock-induced phase transformation of solid iron. Above a critical shock strength, many small close-packed grains nucleate in the shock-compressed body-centered cubic crystal growing on a picosecond time scale to form larger, energetically favored grains. A split two-wave shock structure is observed immediately above this threshold, with an elastic precursor ahead of the lagging transformation wave. For even higher shock strengths, a single, overdriven wave is obtained. The dynamics and orientation of the developing close-packed grains depend on the shock strength and especially on the crystallographic shock direction. Orientational relations between the unshocked and shocked regions are similar to those found for the temperature-driven martensitic transformation in iron and its alloys.read more
Citations
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Journal ArticleDOI
Ferroelectric Metal–Organic Frameworks
Wen Zhang,Ren-Gen Xiong +1 more
TL;DR: The ferroelectric properties of some lately reported MOFs will be presented in this talk, covering their triggering mechanism, designing strategies and potential applications as multifunctional materials.
Journal ArticleDOI
Crystal symmetry and the reversibility of martensitic transformations.
TL;DR: Martensitic transformations are diffusionless, solid-to-solid phase transitions, and have been observed in metals, alloys, ceramics and proteins, characterized by a rapid change of crystal structure accompanied by the development of a rich microstructure.
Journal ArticleDOI
Ultrahigh Strength in Nanocrystalline Materials Under Shock Loading
Eduardo M. Bringa,Eduardo M. Bringa,Alfredo Caro,Alfredo Caro,Yinmin Wang,Yinmin Wang,Maximo Victoria,Maximo Victoria,James McNaney,James McNaney,Bruce Remington,Bruce Remington,Raymond F. Smith,Raymond F. Smith,Ben Torralva,Ben Torralva,Helena Van Swygenhoven,Helena Van Swygenhoven +17 more
TL;DR: Molecular dynamics simulations of nanocrystalline copper under shock loading show an unexpected ultrahigh strength behind the shock front, with values up to twice those at low pressure.
Journal ArticleDOI
Polar ocean stratification in a cold climate
TL;DR: Deep-sea records of biogenic opal accumulation and sedimentary nitrogen isotopic composition from the Subarctic North Pacific Ocean and the Southern Ocean indicate that vertical stratification increased in both northern and southern high latitudes 2.7 million years ago, when Northern Hemisphere glaciation intensified in association with global cooling during the late Pliocene epoch.
Journal ArticleDOI
Fast analysis of molecular dynamics trajectories with graphics processing units-Radial distribution function histogramming
TL;DR: The algorithm features a tiling scheme to maximize the reuse of data at the fastest levels of the GPU's memory hierarchy and dynamic load balancing to allow high performance on heterogeneous configurations of GPUs.
References
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Book
The Art of Molecular Dynamics Simulation
TL;DR: This book describes the extremely powerful technique of molecular dynamics simulation, which involves solving the classical many-body problem in contexts relevant to the study of matter at the atomic level.
Book
Dynamic Behavior of Materials
TL;DR: In this paper, the authors present a method to produce dynamic deformation at high strain rates by using Shear Bands (Thermoplastic Shear Instabilities) and dynamic fracture.
Journal ArticleDOI
Modified embedded-atom potentials for cubic materials and impurities
TL;DR: In a comprehensive study, the modified embedded-atom method is extended to a variety of cubic materials and impurities, including metals, semiconductors, and diatomic gases, all of which exhibit different types of bonding.
Journal ArticleDOI
Nanotribology: friction, wear and lubrication at the atomic scale
TL;DR: In this paper, an understanding of the molecular mechanisms of tribology in thin films and at surfaces has been presented, which is of fundamental importance in many pure and applied sciences, such as computer simulations.
Journal ArticleDOI
The embedded-atom method: a review of theory and applications
TL;DR: The embedded-atom method (EAM) as mentioned in this paper is a semi-empirical method for performing calculations of defects in metals, and it has been shown to provide a very useful and robust means of calculating approximate structure and energetics.
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