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Tension–compression asymmetry in mechanical properties of diamond nanopillars: molecular dynamics simulations
Introduction of twins into diamond can affect the hardness of diamond, but the underlying microcosmic mechanism remains unknown. Here we have...
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Verification of Classical Models of Hardening by the Method of Molecular Dynamics in the Case of Magnesium Deformation by Compression
The method of molecular dynamics is applied to study the features of the plastic flow of hexagonal magnesium, namely, the evolution of dislocation...
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Molecular-Dynamic Study of the Interfacial Zone of Dissimilar Metals Under Compression and Shear
Processes of plastic deformation in the interfacial zone of metals with different lattice types are examined using the molecular dynamics method. The...
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Investigation of structural phase transformation of Al metallic glass under uniaxial compression strain by molecular dynamics simulation
In this study, the amorphous-crystalline structural phase transformations that occur as a result of uniaxial compression strain applied to the Al...
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Domain structure and structural transformation of melt alumina under compression: insight from visualization method and molecular dynamic simulation
Molecular dynamic simulation has been done to investigate the domain structure and structural transformation of liquid alumina at 3500 K and under...
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Few-Cycle Pulses by External Compression
Recent advances in ultrafast laser technology have led to the generation of light pulses comprising few optical cycles employing different...
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Dynamic Compression Methods
This chapter presents relevant details on the plethora of dynamic compression methods used to study the spectroscopy of shocked molecular materials....
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Investigation of Phase Transitions in Molecular Hydrogen at High Degrees of Compression. Part 1
AbstractThe lifetime of metastable state of different hydrogen molecular phase modifications at high pressures and low temperatures is estimated.
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Atomistic explanation of compression-induced deformation mechanisms in boron carbide
The compression-induced deformation mechanisms of boron carbide (B 4 C) have not been well understood due to its complex crystal structure. Here, we...
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Numerical investigation into the compression characteristics of a multi-stage Knudsen pump with rectangular channels
In the rarefied gas, thermal creep flows are induced by temperature gradients along the walls. The Knudsen pumps based on thermal creep flows have...
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Electronic Molecular Spectroscopy
The easiest, and therefore historically the first, method to obtain spectra of molecular samples under dynamic compression is through UV–visible...
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Real-time latent heat emission during dynamic-compression freezing of water
Dynamic compression studies have been used to study the nucleation kinetics of water to ice VII for decades. Diagnostics such as photon Doppler...
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Molecular dynamics simulation of the effect of solute atoms on the compression of magnesium alloy
Magnesium alloys have a wide range of application values. To design and develop magnesium alloys with excellent mechanical properties, it is...
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Molecular Spectroscopy of Dynamically Compressed Materials
This book offers historical and state-of-the-art molecular spectroscopy methods and applications in dynamic compression science, aimed at the...
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Shock-Wave Compression of Nitrogen Fluid in the Pressure Range 140–250 GPa
AbstractThe results of a series of experiments on the shock compression of a dense nitrogen fluid, which is preliminarily statically compressed to an...
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Classical Molecular Dynamics
Quantum theory is complex and, in many occasions, it is hard to use it to describe systems with many particles. Still, atoms behave in a simple way...
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Quantum image compression with autoencoders based on parameterized quantum circuits
The analysis and processing of digital images play a vital role in information processing. However, the pixel-based operations on images often lead...
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Deceleration and Self-Compression of a Wave Pulse in a Discrete Medium
We consider the features of the dynamics of the wave-packet self-action within the framework of a model described by the one-dimensional discrete...
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Infrared Molecular Spectroscopy
Unlike electronic transitions that involve the ro-vibrational levels within both the upper and lower electronic states encompassed by the transition,...
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Molecular Spectroscopy Basics
This chapter presents the basic information on molecular spectroscopy needed to understand the terminology and concepts used in the remainder of the...