scholarly journals Arrest of the flow of wet granular matter

2013 ◽  
Vol 738 ◽  
pp. 407-422 ◽  
Author(s):  
Klaus Roeller ◽  
Johannes Blaschke ◽  
Stephan Herminghaus ◽  
Jürgen Vollmer
Keyword(s):  
External Force ◽  
Granular Matter ◽  
Three Dimensional ◽  
Vertical Direction ◽  
System Size ◽  
Critical Force ◽  
Flow Profile ◽  
Universal Method ◽  
Dynamics Simulations ◽  
Energy Dissipated

AbstractWe study the arrest of three-dimensional flow of wet granular matter subject to a sinusoidal external force and a gravitational field confining the flow in the vertical direction. The minimal strength of the external force that is required to keep the system in motion, i.e. the critical force, is determined by considering the balance of injected and dissipated power. This provides a prediction whose quality is demonstrated by a data collapse for an extensive set of event-driven molecular-dynamics simulations where we varied the system size, particle number, the energy dissipated upon rupturing capillary bridges, and the bridge length at which rupture occurs. The same approach also works for systems that are kept at a fixed density by confining walls. In both cases, this universal method provides the critical force irrespective of the flow profile, and without specifying the hydrodynamic equations.

scholarly journals Universal features of annealing and aging in compaction of granular piles

2020 ◽  
Vol 117 (52) ◽  
pp. 33072-33076
Author(s):  
Paula A. Gago ◽  
Stefan Boettcher
Keyword(s):  
Molecular Dynamics ◽  
Granular Materials ◽  
Granular Matter ◽  
Three Dimensional ◽  
Thermal Fluctuations ◽  
Inelastic Collisions ◽  
Thermally Activated ◽  
Glassy Materials ◽  
Granular Piles ◽  
Dynamics Simulations

This paper links the nonequilibrium glassy relaxation behavior of otherwise athermal granular materials to those of thermally activated glasses. Thus, it demonstrates a much wider universality among complex glassy materials out of equilibrium. Our three-dimensional molecular dynamics simulations, fully incorporating friction and inelastic collisions, are designed to reproduce experimental behavior of tapped granular piles. A simple theory based on a dynamics of records explains why the typical phenomenology of annealing and aging after a quench should extend to such granular matter, activated by taps, beyond the more familiar realm of polymers, colloids, and magnetic materials that all exhibit thermal fluctuations.

About the Development of Brick-Design in Russia

2020 ◽  
Vol 787 (12) ◽  
pp. 21-24
Author(s):  
Y.A. Bozhko ◽  
◽  
K.A. Lapunova ◽  
Keyword(s):  
Functional Role ◽  
Three Dimensional ◽  
Vertical Direction ◽  
Basic Unit ◽  
Design Development ◽  
European Cities ◽  
Unique Material ◽  
Decisive Action ◽  
Color Combinations ◽  
Insufficient Number

The article reflects the authors view on the technical and aesthetic side of the use of face bricks in the architecture of our country. The term brick design combines such indicators of brickwork as the color, size and surface of the brick itself, as well as the type of masonry and seam parameters. Unfortunately, the analysis of the current situation shows that the culture of consumption of face bricks in Russia remains at a low level, which is due to the lack of proper knowledge and insufficient number of qualified master masons. The main goal of brick design development is to popularize various types of three-dimensional masonry and reveal the potential of using bricks as a basic unit. The comparison shows the architecture of European cities, which does not differ in the complexity of architectural forms, but has advantages in the form of unusual masonry, color combinations, vertical direction of masonry and other elements of technical aesthetics. The use of bricks in various levels of brick design will allow you to avoid using architectural decoration on the facades of buildings, while preserving its authenticity and individuality. The brick, as a basic unit, is self-sufficient and is able to fulfill not only its functional role, but also its aesthetic one. In this situation, a necessary and decisive action will be competent communication with industry specialists, architects and designers, leading manufacturers and technologists who realize that we have a unique material that does not need additional wrapping when used efficiently.

scholarly journals Online biophysical predictions for SARS-CoV-2 proteins

2021 ◽  
Vol 22 (1) ◽  
Author(s):  
Luciano Kagami ◽  
Joel Roca-Martínez ◽  
Jose Gavaldá-García ◽  
Pathmanaban Ramasamy ◽  
K. Anton Feenstra ◽  
...  
Keyword(s):  
Protein Sequence ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Static Structure ◽  
Homologous Proteins ◽  
Structure Based Drug Design ◽  
Protein Protein Interaction ◽  
Link Type ◽  
Dynamics Simulations ◽  
Β Sheet

Abstract Background The SARS-CoV-2 virus, the causative agent of COVID-19, consists of an assembly of proteins that determine its infectious and immunological behavior, as well as its response to therapeutics. Major structural biology efforts on these proteins have already provided essential insights into the mode of action of the virus, as well as avenues for structure-based drug design. However, not all of the SARS-CoV-2 proteins, or regions thereof, have a well-defined three-dimensional structure, and as such might exhibit ambiguous, dynamic behaviour that is not evident from static structure representations, nor from molecular dynamics simulations using these structures. Main We present a website (https://bio2byte.be/sars2/) that provides protein sequence-based predictions of the backbone and side-chain dynamics and conformational propensities of these proteins, as well as derived early folding, disorder, β-sheet aggregation, protein-protein interaction and epitope propensities. These predictions attempt to capture the inherent biophysical propensities encoded in the sequence, rather than context-dependent behaviour such as the final folded state. In addition, we provide the biophysical variation that is observed in homologous proteins, which gives an indication of the limits of their functionally relevant biophysical behaviour. Conclusion The https://bio2byte.be/sars2/ website provides a range of protein sequence-based predictions for 27 SARS-CoV-2 proteins, enabling researchers to form hypotheses about their possible functional modes of action.

scholarly journals Polymer cyclization for the emergence of hierarchical nanostructures

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Chaojian Chen ◽  
Manjesh Kumar Singh ◽  
Katrin Wunderlich ◽  
Sean Harvey ◽  
Colette J. Whitfield ◽  
...  
Keyword(s):  
Self Assembly ◽  
Three Dimensional ◽  
Hierarchical Structures ◽  
Structural Similarity ◽  
Vital Role ◽  
Nanomaterial Synthesis ◽  
Wide Range ◽  
Linear Poly ◽  
Polymer Folding ◽  
Dynamics Simulations

AbstractThe creation of synthetic polymer nanoobjects with well-defined hierarchical structures is important for a wide range of applications such as nanomaterial synthesis, catalysis, and therapeutics. Inspired by the programmability and precise three-dimensional architectures of biomolecules, here we demonstrate the strategy of fabricating controlled hierarchical structures through self-assembly of folded synthetic polymers. Linear poly(2-hydroxyethyl methacrylate) of different lengths are folded into cyclic polymers and their self-assembly into hierarchical structures is elucidated by various experimental techniques and molecular dynamics simulations. Based on their structural similarity, macrocyclic brush polymers with amphiphilic block side chains are synthesized, which can self-assemble into wormlike and higher-ordered structures. Our work points out the vital role of polymer folding in macromolecular self-assembly and establishes a versatile approach for constructing biomimetic hierarchical assemblies.

Molecular Dynamics Study of Ion Impact Phenomena and Compressive Stress in Thin Films

1993 ◽  
Vol 317 ◽  
Author(s):  
N.A. Marks ◽  
P. Guan ◽  
D.R. Mckenzie ◽  
B.A. PailThorpe
Keyword(s):  
Molecular Dynamics ◽  
Three Dimensional ◽  
Carbon Films ◽  
Loss Mechanism ◽  
Ion Energy ◽  
Lennard Jones ◽  
Impact Phenomena ◽  
Ion Impact ◽  
Dynamics Simulations ◽  
The Impact

ABSTRACTMolecular dynamics simulations of nickel and carbon have been used to study the phenomena due to ion impact. The nickel and carbon interactions were described using the Lennard-Jones and Stillinger-Weber potentials respectively. The phenomena occurring after the impact of 100 e V to 1 keV ions were studied in the nickel simulations, which were both two and three-dimensional. Supersonic focussed collision sequences (or focusons) were observed, and associated with these focusons were unexpected sonic bow waves, which were a major energy loss mechanism for the focuson. A number of 2D carbon films were grown and the stress in the films as a function of incident ion energy was Measured. With increasing energy the stress changed from tensile to compressive and reached a maximum around 50 eV, in agreement with experiment.

Molecular Dynamics Simulations of High Energy Cascades in Iron

1994 ◽  
Vol 373 ◽  
Author(s):  
Roger E. Stoller
Keyword(s):  
Molecular Dynamics ◽  
Three Dimensional ◽  
High Energy ◽  
Dynamics Simulation ◽  
Method Of Molecular Dynamics ◽  
Energy Cascades ◽  
Iron Based ◽  
The Many ◽  
Property Changes ◽  
Dynamics Simulations

AbstractA series of high-energy, up to 20 keV, displacement cascades in iron have been investigated for times up to 200 ps at 100 K using the method of molecular dynamics simulation. Thesimulations were carried out using the MOLDY code and a modified version of the many-bodyinteratomic potential developed by Finnis and Sinclair. The paper focuses on those results obtained at the highest energies, 10 and 20 keV. The results indicate that the fraction of the Frenkel pairs surviving in-cascade recombination remains fairly high in iron and that the fraction of the surviving point defects that cluster is lower than in materials such as copper. In particular, vacancy clustering appears to be inhibited in iron. Some of the interstitial clusters were observed to exhibit an unexpectedly complex, three-dimensional morphology. The observations are discussed in terms of their relevance to microstructural evolution and mechanical property changes in irradiated iron-based alloys.

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