Thermodynamics, Structure, and Dynamics of Water Confined between Hydrophobic Plates

We perform molecular dynamics simulations of 512 water-like molecules that interact via the TIP5P potential and are confined between two smooth hydrophobic plates that are separated by 1.10 nm. We find that the anomalous thermodynamic properties of water are shifted to lower temperatures relative to the bulk by $\approx 40$ K. The dynamics and structure of the confined water resemble bulk water at higher temperatures, consistent with the shift of thermodynamic anomalies to lower temperature. Due to this $T$ shift, our confined water simulations (down to $T = 220$ K) do not reach sufficiently low temperature to observe a liquid-liquid phase transition found for bulk water at $T\approx 215$ K using the TIP5P potential. We find that the different crystalline structures that can form for two different separations of the plates, 0.7 nm and 1.10 nm, have no counterparts in the bulk system, and discuss the relevance to experiments on confined water.Comment: 31 pages, 14 figure

Mesoscopic Phase Fluctuations: General Phenomenon in Condensed Matter

General conditions for the occurrence of mesoscopic phase fluctuations in condensed matter are considered. The description of different thermodynamic phases, which coexist as a mixture of mesoscopically separated regions, is based on the {\it theory of heterophase fluctuations}. The spaces of states, typical of the related phases, are characterized by {\it weighted Hilbert spaces}. Several models illustrate the main features of heterophase condensed matter.Comment: 23 pages, Latex, no figure

Origin of the Electron-Phonon Interaction of Topological Semimetal Surfaces Measured with Helium Atom Scattering

He atom scattering has been demonstrated to be a sensitive probe of the electron-phonon interaction parameter $\lambda$ at metal and metal-overlayer surfaces. Here it is shown that the theory linking $\lambda$ to the thermal attenuation of atom scattering spectra (the Debye-Waller factor), can be applied to topological semimetal surfaces, like the quasi-one dimensional charge-density-wave system Bi(114) and the layered pnictogen chalcogenides

Comparison of Bond Character in Hydrocarbons and Fullerenes

We present a comparison of the bond polarizabilities for carbon-carbon bonds in hydrocarbons and fullerenes, using two different models for the fullerene Raman spectrum and the results of Raman measurements on ethane and ethylene. We find that the polarizabilities for single bonds in fullerenes and hydrocarbons compare well, while the double bonds in fullerenes have greater polarizability than in ethylene.Comment: 7 pages, no figures, uses RevTeX. (To appear in Phys. Rev. B.

NEXUS/Physics: An interdisciplinary repurposing of physics for biologists

In response to increasing calls for the reform of the undergraduate science curriculum for life science majors and pre-medical students (Bio2010, Scientific Foundations for Future Physicians, Vision & Change), an interdisciplinary team has created NEXUS/Physics: a repurposing of an introductory physics curriculum for the life sciences. The curriculum interacts strongly and supportively with introductory biology and chemistry courses taken by life sciences students, with the goal of helping students build general, multi-discipline scientific competencies. In order to do this, our two-semester NEXUS/Physics course sequence is positioned as a second year course so students will have had some exposure to basic concepts in biology and chemistry. NEXUS/Physics stresses interdisciplinary examples and the content differs markedly from traditional introductory physics to facilitate this. It extends the discussion of energy to include interatomic potentials and chemical reactions, the discussion of thermodynamics to include enthalpy and Gibbs free energy, and includes a serious discussion of random vs. coherent motion including diffusion. The development of instructional materials is coordinated with careful education research. Both the new content and the results of the research are described in a series of papers for which this paper serves as an overview and context.Comment: 12 page

Libri novi

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/43271/1/11046_2005_Article_BF02051463.pd

Sequential superradiant scattering from atomic Bose-Einstein condensates

We theoretically discuss several aspects of sequential superradiant scattering from atomic Bose-Einstein condensates. Our treatment is based on the semiclassical description of the process in terms of the Maxwell-Schroedinger equations for the coupled matter-wave and optical fields. First, we investigate sequential scattering in the weak-pulse regime and work out the essential mechanisms responsible for bringing about the characteristic fan-shaped side-mode distribution patterns. Second, we discuss the transition between the Kapitza-Dirac and Bragg regimes of sequential scattering in the strong-pulse regime. Finally, we consider the situation where superradiance is initiated by coherently populating an atomic side mode through Bragg diffraction, as in studies of matter-wave amplification, and describe the effect on the sequential scattering process.Comment: 9 pages, 4 figures. Submitted to Proceedings of LPHYS'06 worksho

Libri novi

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/43270/1/11046_2005_Article_BF02089882.pd

Theoretical investigations of a highly mismatched interface: the case of SiC/Si(001)

Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(001). Among several tested possible configurations, a heterostructure with (i) a misfit dislocation network pinned at the interface and (ii) reconstructed dislocation cores with a carbon substoichiometry is found to be the most stable one. The importance of the slab approximation in first-principles calculations is discussed and estimated by combining classical potential techniques and elasticity theory. For the most stable configuration, an estimate of the interface energy is given. Finally, the electronic structure is investigated and discussed in relation with the dislocation array structure. Interface states, localized in the heterostructure gap and located on dislocation cores, are identified