The Quasicontinuum Method Extended to Disordered Materials

2015 ◽  
Author(s):  
K. Mikeš ◽  
M. Jirásek
Keyword(s):  
Disordered Materials ◽  
Quasicontinuum Method

scholarly journals Dynamics & Spectroscopy with Neutrons—Recent Developments & Emerging Opportunities

Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1440
Author(s):  
Kacper Drużbicki ◽  
Mattia Gaboardi ◽  
Felix Fernandez-Alonso
Keyword(s):  
Dynamical Behavior ◽  
Disordered Materials ◽  
Spectroscopic Techniques ◽  
Computational Tools ◽  
Soft Solids ◽  
Sustainable Technologies ◽  
Energy Transfers ◽  
Recent Developments ◽  
Scientific Questions ◽  
Nuclear Quantum Effects

This work provides an up-to-date overview of recent developments in neutron spectroscopic techniques and associated computational tools to interrogate the structural properties and dynamical behavior of complex and disordered materials, with a focus on those of a soft and polymeric nature. These have and continue to pave the way for new scientific opportunities simply thought unthinkable not so long ago, and have particularly benefited from advances in high-resolution, broadband techniques spanning energy transfers from the meV to the eV. Topical areas include the identification and robust assignment of low-energy modes underpinning functionality in soft solids and supramolecular frameworks, or the quantification in the laboratory of hitherto unexplored nuclear quantum effects dictating thermodynamic properties. In addition to novel classes of materials, we also discuss recent discoveries around water and its phase diagram, which continue to surprise us. All throughout, emphasis is placed on linking these ongoing and exciting experimental and computational developments to specific scientific questions in the context of the discovery of new materials for sustainable technologies.

scholarly journals Crystalline shielding mitigates structural rearrangement and localizes memory in jammed systems under oscillatory shear

2021 ◽  
Vol 7 (20) ◽  
pp. eabe3392
Author(s):  
Erin G. Teich ◽  
K. Lawrence Galloway ◽  
Paulo E. Arratia ◽  
Danielle S. Bassett
Keyword(s):  
Local Structure ◽  
Disordered Systems ◽  
Amorphous Materials ◽  
Structural Rearrangement ◽  
Oscillatory Shear ◽  
Disordered Materials ◽  
Rheological Measurements ◽  
Particle Level ◽  
Individual Particles

The nature of yield in amorphous materials under stress has yet to be fully elucidated. In particular, understanding how microscopic rearrangement gives rise to macroscopic structural and rheological signatures in disordered systems is vital for the prediction and characterization of yield and the study of how memory is stored in disordered materials. Here, we investigate the evolution of local structural homogeneity on an individual particle level in amorphous jammed two-dimensional (athermal) systems under oscillatory shear and relate this evolution to rearrangement, memory, and macroscale rheological measurements. We define the structural metric crystalline shielding, and show that it is predictive of rearrangement propensity and structural volatility of individual particles under shear. We use this metric to identify localized regions of the system in which the material’s memory of its preparation is preserved. Our results contribute to a growing understanding of how local structure relates to dynamic response and memory in disordered systems.

Numerical simulation of chaotic and self-organizing damage in brittle disordered materials

1997 ◽  
Vol 142 (1-2) ◽  
pp. 189-201 ◽  
Author(s):  
Jan G.M. Van Mier ◽  
Bernardino M. Chiaia ◽  
Adri Vervuurt
Keyword(s):  
Numerical Simulation ◽  
Disordered Materials ◽  
Self Organizing

EFFECT OF INITIAL CONTACT LOCATION ON MULTIASPERITY NANOCONTACT: QUASICONTINUUM SIMULATION

NANO ◽  
2014 ◽  
Vol 09 (01) ◽  
pp. 1450004
Author(s):  
WU-GUI JIANG ◽  
SHUANG XU ◽  
ZHENG-WEI WANG
Keyword(s):  
Contact Process ◽  
Copper Substrate ◽  
Wave Crest ◽  
Initial Contact ◽  
Displacement Curve ◽  
Quasicontinuum Method ◽  
Contact Stage ◽  
Wave Trough ◽  
Contact Models ◽  
Microscopic Deformation

Two nanocontact models with different initial contact locations are built to simulate the process of the multiasperity nanocontact for investigating the effect of initial contact location on the nanocontact process by using the quasicontinuum method. The indenter is initially located on the top of the middle wave crest (MWC) of the substrate and the top of the wave trough on the left side (LWT) of the substrate, respectively. The microscopic deformation mechanism, the load–displacement curve and the nanohardness–displacement curve are examined. It is found that the deformation mechanisms in the two multiasperity contact models are different. During the initial contact stage, in the MWC model, the twinning deformation dominates the whole contact process, while in the LMT model many Lomer-Cottrell locks are generated in the copper substrate, which inhibits the occurrence of twinning deformation.

On the interpretation of the electrical resistance of disordered materials

1985 ◽  
Vol 54 (4) ◽  
pp. 331-334 ◽  
Author(s):  
A.D. Inglis ◽  
S.P. McAlister
Keyword(s):  
Electrical Resistance ◽  
Disordered Materials

What Dictates Nonlinear Behavior in Strongly Correlated Insulators?

2021 ◽  
Vol 1 ◽  
Keyword(s):  
Nonlinear Behavior ◽  
Disordered Materials ◽  
Strongly Correlated ◽  
Ohm’S Law ◽  
Nonlinear Conduction ◽  
Ohm's Law

The nonlinear conduction (the deviation from Ohm's law) has been discovered universally in various correlated materials. This may be explained by the percolation conduction in disordered materials.

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