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

scholarly journals Unraveling the Stability of Polypeptide Helices: Critical Role of van der Waals Interactions

2011 ◽  
Vol 106 (11) ◽  
Author(s):  
Alexandre Tkatchenko ◽  
Mariana Rossi ◽  
Volker Blum ◽  
Joel Ireta ◽  
Matthias Scheffler
Keyword(s):  
Van Der Waals ◽  
Critical Role ◽  
Van Der Waals Interactions ◽  
The Stability

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 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 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.

scholarly journals Interfacial Acidity on Oxide Surfaces: A Scaling Paradigm and the Role of the Hydrogen Bond

2020 ◽  
Author(s):  
Robert Chapleski ◽  
Azhad U. Chowdhury ◽  
Kyle Mason ◽  
Robert Sacci ◽  
Benjamin Doughty ◽  
...  
Keyword(s):  
Density Functional ◽  
Critical Role ◽  
Surface Interactions ◽  
Van Der Waals Interactions ◽  
Chemical Transformations ◽  
Acid Base ◽  
Functional Theory ◽  
Fundamental Understanding ◽  
Molecule Surface

<p><a></a>A fundamental understanding of acidity at an interface, as mediated by structure and molecule-surface interactions, is essential to elucidate the mechanisms of a range of chemical transformations. While the strength­­­­ of an acid in the gas and solution phases is conceptually well understood, how acid-base chemistry works at an interface is notoriously more complicated. Using density functional theory and nonlinear vibrational spectroscopy, we have developed a method to determine the interfacial Brønsted-Lowry acidity of aliphatic alcohols adsorbed on the {100} surface of the model perovskite, strontium titanate. Here we show that, while shorter and less branched alkanols are less acidic as a gas and more acidic in solution, shorter alcohols are less acidic whereas less substituted alkanols are more acidic at the gas-surface interface. Hydrogen bonding plays a critical role in defining acidity, whereas structure-acidity relationships are dominated by van der Waals interactions between the alcohol and the surface.</p><p><a></a></p><p> </p>

Interfacial Acidity on Oxide Surfaces: A Scaling Paradigm and the Role of the Hydrogen Bond

2020 ◽  
Author(s):  
Robert Chapleski ◽  
Azhad U. Chowdhury ◽  
Kyle Mason ◽  
Robert Sacci ◽  
Benjamin Doughty ◽  
...  
Keyword(s):  
Density Functional ◽  
Critical Role ◽  
Surface Interactions ◽  
Van Der Waals Interactions ◽  
Chemical Transformations ◽  
Acid Base ◽  
Functional Theory ◽  
Fundamental Understanding ◽  
Molecule Surface

<p><a></a>A fundamental understanding of acidity at an interface, as mediated by structure and molecule-surface interactions, is essential to elucidate the mechanisms of a range of chemical transformations. While the strength­­­­ of an acid in the gas and solution phases is conceptually well understood, how acid-base chemistry works at an interface is notoriously more complicated. Using density functional theory and nonlinear vibrational spectroscopy, we have developed a method to determine the interfacial Brønsted-Lowry acidity of aliphatic alcohols adsorbed on the {100} surface of the model perovskite, strontium titanate. Here we show that, while shorter and less branched alkanols are less acidic as a gas and more acidic in solution, shorter alcohols are less acidic whereas less substituted alkanols are more acidic at the gas-surface interface. Hydrogen bonding plays a critical role in defining acidity, whereas structure-acidity relationships are dominated by van der Waals interactions between the alcohol and the surface.</p><p><a></a></p><p> </p>

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