Aalto University, P.O. Box 11000, FI-00076 Aalto www.aalto.fi Author Andris Guļāns Name of the doctoral dissertation Van der Waals interactions in density-functional theory: implementation and applications Publisher School of Science Unit Applied Physics Series Aalto University publication series DOCTORAL DISSERTATIONS 6/2012 Field of research Electronic structure theory Manuscript submitted 3 ...

We present a dynamic van der Waals theory starting with entropy and energy functional with gradient contributions. The resultant hydrodynamic equations contain the stress arising from the density gradient. It provides a general scheme of two-phase hydrodynamics involving the gas-liquid transition in nonuniform temperature. Some complex hydrodynamic processes with evaporation and condensation ar...

Van der Waals materials have received a great deal of attention for their exceptional layered structures and exotic properties, which can open up various device applications in nanoelectronics. However, in situ epitaxial growth of dissimilar van der Waals materials remains challenging. Here we demonstrate a solution for fabricating van der Waals heterostructures. Graphene/hexagonal boron nitrid...

A simple modified Poisson-Boltzmann formalism, which accounts also for those interactions between electrolyte ions and colloidal particles not included in the mean potential, is used to calculate the force between two parallel plates. It is shown that the short-range interactions between ions and plates, such as those due to the change in the hydration free energy of a structure-making/breaking...

We use scanning tunneling microscopy to visualize and thermal desorption spectroscopy to quantitatively measure that the binding of naphthalene molecules to graphene, a case of pure van der Waals interaction, strengthens with n and weakens with p doping of graphene. Density-functional theory calculations that include the van der Waals interaction in a seamless, ab initio way accurately reproduc...

We calculate the friction force between two semi-infinite solids in relative parallel motion (velocity V), and separated by a vacuum gap of width d. The friction force result from coupling via a fluctuating electromagnetic field, and can be considered as the dissipative part of the van der Waals interaction. We consider the dependence of the friction force on the temperature T , and present a d...

the internal structure of a molecule can be presented in terms of intra-molecular (i.e., inter atomic)and inter-molecular energies such as van der waals, bond and bending, torsion, and inversion energy.in this study, changes in molecular energies of individual asphalt components are evaluated as afunction of physical aging factors. the factors for physical aging such as temperature and pressure...

We analyze pull-in instability of electrostatically actuated microelectromechanical systems, and study changes in pull-in parameters due to the Casimir effect. When the size of the device is reduced, the magnitude of the Casimir force is comparable with that of the Coulomb force and it significantly alters pull-in parameters. We model the deformable conductor as an elastic membrane and consider...

The basic principles of atomic force microscopy are discussed. Various deflection sensors are described and compared with each other. A simple theoretical basis of the fundamental forces, such as van der Waals, electrostatic, magnetic, capillary, ionic repulsion and frictional forces, is given and the relevant experimental work is summarized.

The material contained here is intended to supplement and support the information reported in our article, “On a Stochastic Non-relativistic Approach to Gravity as Originating from Vacuum Zero-Point Field van der Waals Forces,” to be published in Phys. Rev. A. The present material can be obtained from the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directo...