A multiscale Molecular Dynamics approach to Contact Mechanics

The friction and adhesion between elastic bodies are strongly influenced by the roughness of the surfaces in contact. Here we develop a multiscale molecular dynamics approach to contact mechanics, which can be used also when the surfaces have roughness on many different length-scales, e.g., for self affine fractal surfaces. As an illustration we consider the contact between randomly rough surfaces, and show that the contact area varies linearly with the load for small load. We also analyze the contact morphology and the pressure distribution at different magnification, both with and without adhesion. The calculations are compared with analytical contact mechanics models based on continuum mechanics.Comment: Format Revtex4, two columns, 13 pages, 19 pictures. Submitted for publication in the European Physical Journal E. Third revision with minimal changes: Corrected a few mistypin

Nanodroplets on rough hydrophilic and hydrophobic surfaces

We present results of Molecular Dynamics (MD) calculations on the behavior of liquid nanodroplets on rough hydrophobic and hydrophilic solid surfaces. On hydrophobic surfaces, the contact angle for nanodroplets depends strongly on the root mean square roughness amplitude, but it is nearly independent of the fractal dimension of the surface. Since increasing the fractal dimension increases the short-wavelength roughness, while the long-wavelength roughness is almost unchanged, we conclude that for hydrophobic interactions the short-wavelength (atomistic) roughness is not very important. We show that the nanodroplet is in a Cassie-like state. For rough hydrophobic surfaces, there is no contact angle hysteresis due to strong thermal fluctuations, which occur at the liquid-solid interface on the nanoscale. On hydrophilic surfaces, however, there is strong contact angle hysteresis due to higher energy barrier. These findings may be very important for the development of artificially biomimetic superhydrophobic surfaces.Comment: 15 pages, 25 figures. Minimal changes with respect to the previous one. A few small improvements, references updated, added the reference to the published paper. Previous work on the same subject: arXiv:cond-mat/060405

Renormalizability of the nuclear many-body problem with the Skyrme interaction beyond mean field

Phenomenological effective interactions like Skyrme forces are currently used in mean--field calculations in nuclear physics. Mean--field models have strong analogies with the first order of the perturbative many--body problem and the currently used effective interactions are adjusted at the mean--field level. In this work, we analyze the renormalizability of the nuclear many--body problem in the case where the effective Skyrme interaction is employed in its standard form and the perturbative problem is solved up to second order. We focus on symmetric nuclear matter and its equation of state, which can be calculated analytically at this order. It is shown that only by applying specific density dependence and constraints to the interaction parameters could renormalizability be guaranteed in principle. This indicates that the standard Skyrme interaction does not in general lead to a renormalizable theory. For achieving renormalizability, other terms should be added to the interaction and employed perturbatively only at first order.Comment: Revised versio

The Two-Nucleon 1S0 Amplitude Zero in Chiral Effective Field Theory

We present a new rearrangement of short-range interactions in the $^1S_0$ nucleon-nucleon channel within Chiral Effective Field Theory. This is intended to reproduce the amplitude zero (scattering momentum $\simeq$ 340 MeV) at leading order, and it includes subleading corrections perturbatively in a way that is consistent with renormalization-group invariance. Systematic improvement is shown at next-to-leading order, and we obtain results that fit empirical phase shifts remarkably well all the way up to the pion-production threshold. An approach in which pions have been integrated out is included, which allows us to derive analytic results that also fit phenomenology surprisingly well.Comment: 34 pages, 7 figure

Higher Twist, ξw\xi_w Scaling, and Effective LOPDFsLO PDFs for Lepton Scattering in the Few GeV Region

We use a new scaling variable $\xi_w$, and add low $Q^2$ modifications to GRV98 leading order parton distribution functions such that they can be used to model electron, muon and neutrino inelastic scattering cross sections (and also photoproduction) at both very low and high energies.Comment: 6 pages, 3 figures. To be published in J. Phys. G (Conf. Proceedings) based on two talks by Arie Bodek at the NuFact$'02$ conference, Imperial College, London, England, July 200

Contact Atomic Structure and Electron Transport Through Molecules

Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the variable situations that may arise in break junction experiments; our approach is a combined density functional theory and Green function technique. We focus on effects caused by (1) the presence of an additional Au atom at the contact and (2) possible changes in the molecule-lead separation. The effects of contact atomic relaxation and two different lead orientations are fully considered. We find that the presence of an additional Au atom at each of the two contacts will increase the equilibrium conductance by up to two orders of magnitude regardless of either the lead orientation or different group-VI anchoring atoms. This is due to a LUMO-like resonance peak near the Fermi energy. In the non-equilibrium properties, the resonance peak manifests itself in a large negative differential conductance. We find that the dependence of the equilibrium conductance on the molecule-lead separation can be quite subtle: either very weak or very strong depending on the separation regime.Comment: 8 pages, 6 figure

Generating entanglement of photon-number states with coherent light via cross-Kerr nonlinearity

We propose a scheme for generating entangled states of light fields. This scheme only requires the cross-Kerr nonlinear interaction between coherent light-beams, followed by a homodyne detection. Therefore, this scheme is within the reach of current technology. We study in detail the generation of the entangled states between two modes, and that among three modes. In addition to the Bell states between two modes and the W states among three modes, we find plentiful new kinds of entangled states. Finally, the scheme can be extend to generate the entangled states among more than three modes.Comment: 2 figure

Concise theory of chiral lipid membranes

A theory of chiral lipid membranes is proposed on the basis of a concise free energy density which includes the contributions of the bending and the surface tension of membranes, as well as the chirality and orientational variation of tilting molecules. This theory is consistent with the previous experiments [J.M. Schnur \textit{et al.}, Science \textbf{264}, 945 (1994); M.S. Spector \textit{et al.}, Langmuir \textbf{14}, 3493 (1998); Y. Zhao, \textit{et al.}, Proc. Natl. Acad. Sci. USA \textbf{102}, 7438 (2005)] on self-assembled chiral lipid membranes of DC$_{8,9}$PC. A torus with the ratio between its two generated radii larger than $\sqrt{2}$ is predicted from the Euler-Lagrange equations. It is found that tubules with helically modulated tilting state are not admitted by the Euler-Lagrange equations, and that they are less energetically favorable than helical ripples in tubules. The pitch angles of helical ripples are theoretically estimated to be about 0$^\circ$ and 35$^\circ$, which are close to the most frequent values 5$^\circ$ and 28$^\circ$ observed in the experiment [N. Mahajan \textit{et al.}, Langmuir \textbf{22}, 1973 (2006)]. Additionally, the present theory can explain twisted ribbons of achiral cationic amphiphiles interacting with chiral tartrate counterions. The ratio between the width and pitch of twisted ribbons is predicted to be proportional to the relative concentration difference of left- and right-handed enantiomers in the low relative concentration difference region, which is in good agreement with the experiment [R. Oda \textit{et al.}, Nature (London) \textbf{399}, 566 (1999)].Comment: 14 pages, 7 figure

Universality of Uhrig dynamical decoupling for suppressing qubit pure dephasing and relaxation

The optimal $N$-pulse dynamical decoupling discovered by Uhrig for a spin-boson mmodel [Phys. Rev. Lett, {\bf 98}, 100504 (2007)] is proved to be universal in suppressing to $O(T^{N+1})$ the pure dephasing or the longitudinal relaxation of a qubit (or spin-1/2) coupled to a generic bath in a short-time evolution of duration $T$. It is also found that for the purpose of suppressing the longitudinal relaxation, an ideal Uhrig $\pi$-pulse sequence can be generalized to a sequence consisting of the ideal one superimposed with finite-duration pulses satisfying certain symmetry requirements.Comment: 4 pages, 1 figure

Influence of surface roughness on superhydrophobicity

Superhydrophobic surfaces, with liquid contact angle theta greater than 150 degree, have important practical applications ranging from self-cleaning window glasses, paints, and fabrics to low-friction surfaces. Many biological surfaces, such as the lotus leaf, have hierarchically structured surface roughness which is optimized for superhydrophobicity through natural selection. Here we present a molecular dynamics study of liquid droplets in contact with self-affine fractal surfaces. Our results indicate that the contact angle for nanodroplets depends strongly on the root-mean-square surface roughness amplitude but is nearly independent of the fractal dimension D_f of the surface.Comment: 5 Pages, 6 figures. Minimal changes with respect to the previous versio