scholarly journals The van der Waals interactions in rare-gas dimers: the role of interparticle interactions

2016 ◽  
Vol 18 (4) ◽  
pp. 3011-3022 ◽  
Author(s):  
Yu-Ting Chen ◽  
Kerwin Hui ◽  
Jeng-Da Chai
Keyword(s):  
Potential Energy ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Potential Energy Curves ◽  
Rare Gas ◽  
Interparticle Interactions ◽  
Nuclear Interactions

We investigate the potential energy curves of rare-gas dimers with various ranges and strengths of interparticle interactions (nuclear–electron, electron–electron, and nuclear–nuclear interactions).

scholarly journals Detachment of compliant films adhered to stiff substrates via van der Waals interactions: role of frictional sliding during peeling

2014 ◽  
Vol 11 (97) ◽  
pp. 20140453 ◽  
Author(s):  
Rachel R. Collino ◽  
Noah R. Philips ◽  
Michael N. Rossol ◽  
Robert M. McMeeking ◽  
Matthew R. Begley
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Work Of Adhesion ◽  
Interface Fracture ◽  
Strong Function ◽  
Frictional Sliding ◽  
Fracture Models ◽  
Synthetic Adhesives ◽  
Interface Sliding

The remarkable ability of some plants and animals to cling strongly to substrates despite relatively weak interfacial bonds has important implications for the development of synthetic adhesives. Here, we examine the origins of large detachment forces using a thin elastomer tape adhered to a glass slide via van der Waals interactions, which serves as a model system for geckos, mussels and ivy. The forces required for peeling of the tape are shown to be a strong function of the angle of peeling, which is a consequence of frictional sliding at the edge of attachment that serves to dissipate energy that would otherwise drive detachment. Experiments and theory demonstrate that proper accounting for frictional sliding leads to an inferred work of adhesion of only approximately 0.5 J m −2 (defined for purely normal separations) for all load orientations. This starkly contrasts with the interface energies inferred using conventional interface fracture models that assume pure sticking behaviour, which are considerably larger and shown to depend not only on the mode-mixity, but also on the magnitude of the mode-I stress intensity factor. The implications for developing frameworks to predict detachment forces in the presence of interface sliding are briefly discussed.

scholarly journals Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2molecules on Cu(111), (100) and (110) surfaces

2012 ◽  
Vol 24 (42) ◽  
pp. 424213 ◽  
Author(s):  
Kyuho Lee ◽  
Kristian Berland ◽  
Mina Yoon ◽  
Stig Andersson ◽  
Elsebeth Schröder ◽  
...  
Keyword(s):  
Experimental Data ◽  
Potential Energy ◽  
Van Der Waals ◽  
Potential Energy Curves ◽  
Density Functionals

Thermally Controlled Adenine Dimer Chain Rotation on Cu(110): The Critical Role of van der Waals Interactions

2014 ◽  
Vol 118 (12) ◽  
pp. 6278-6282 ◽  
Author(s):  
Yu Yang Zhang ◽  
Ye-Liang Wang ◽  
Lei Meng ◽  
Sheng Bai Zhang ◽  
Hong-Jun Gao
Keyword(s):  
Van Der Waals ◽  
Critical Role ◽  
Van Der Waals Interactions

Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces

MRS Bulletin ◽  
2010 ◽  
Vol 35 (6) ◽  
pp. 435-442 ◽  
Author(s):  
Alexandre Tkatchenko ◽  
Lorenz Romaner ◽  
Oliver T. Hofmann ◽  
Egbert Zojer ◽  
Claudia Ambrosch-Draxl ◽  
...  
Keyword(s):  
Density Functional ◽  
Van Der Waals ◽  
Accurate Determination ◽  
Van Der Waals Interactions ◽  
Rare Gas ◽  
Functional Theory ◽  
Coinage Metals ◽  
Organic Adsorbates ◽  
And Function ◽  
Simple Systems

AbstractVan der Waals (vdW) interactions play a prominent role in the structure and function of organic/organic and organic/inorganic interfaces. Their accurate determination from first principles, however, is a notoriously difficult task. Recently, a surge of interest in modeling vdW interactions has led to promising theoretical developments. This article reviews the state-of-the-art of describing vdW interactions by density-functional theory with respect to accuracy and practicability. The performance of the different methods is demonstrated for simple systems, such as rare-gas dimers and small organic molecules. The nature of binding at organic/inorganic interfaces is then exemplified for the perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) molecule at surfaces of coinage metals. This fundamental system is the best-characterized organic molecule/metal interface in experiment and theory. We emphasize the crucial importance of a balanced description of both geometry and electronic structure in order to understand and model the properties of such systems. Finally, the relevance of vdW interactions to the function of actual devices based on interfaces is discussed.

scholarly journals van der Waals Interactions and Hadron Resonance Gas: Role of resonance widths modeling on conserved charges fluctuations

2018 ◽  
Vol 171 ◽  
pp. 14006
Author(s):  
Volodymyr Vovchenko ◽  
Paolo Alba ◽  
Mark I. Gorenstein ◽  
Horst Stoecker
Keyword(s):  
Lattice Qcd ◽  
Temperature Region ◽  
Van Der Waals ◽  
Baryon Number ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Crossover Temperature ◽  
Lattice Data ◽  
The Ideal

The quantum van der Waals (QvdW) extension of the ideal hadron resonance gas (HRG) model which includes the attractive and repulsive interactions between baryons – the QvdW-HRG model – is applied to study the behavior of the baryon number related susceptibilities in the crossover temperature region. Inclusion of the QvdW interactions leads to a qualitatively different behavior of susceptibilities, in many cases resembling lattice QCD simulations. It is shown that for some observables, in particular for χBQ11/χB2, effects of the QvdW interactions essentially cancel out. It is found that the inclusion of the finite resonance widths leads to an improved description of χB2, but it also leads to a worse description of χBQ11/χB2, as compared to the lattice data. On the other hand, inclusion of the extra, unconfirmed baryons into the hadron list leads to a simultaneous improvement in the description of both observables.

Role of electrostatic and van der Waals interactions on the in vacuo unfolding dynamics of lysozyme ions

2001 ◽  
Vol 350 (3-4) ◽  
pp. 277-285 ◽  
Author(s):  
Gustavo A. Arteca ◽  
C.T. Reimann ◽  
O. Tapia
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Interactions
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