ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    Cohomology theory and deformations of Z2-graded lie algebras (1990)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 31 (1990), S. 2822-2831 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The algebraic cohomology and the spectral sequences for a Z2-graded Lie algebra are briefly reviewed. The reducibility property of a strongly semisimple Lie superalgebra is established. The role of second and third cohomologies in the deformation of a Lie superalgebra is discussed. Using spectral sequences, the second cohomology of the full BRS algebra is shown to be the ground field and the third cohomology being trivial implies that osp(1,2) is the only graded Lie algebra obtained by deformation of the full BRS algebra. A similar analysis yields the superconformal algebra as a deformation of the super Poincaré algebra. The superconformal algebra so derived contains so(4,1) as the even part, ruling out the existence of negative curvature of a de Sitter universe!
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.528985
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Sequence design in lattice models by graph theoretical methods (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 1906-1914 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A general strategy has been developed based on graph theoretical methods, for finding amino acid sequences that take up a desired conformation as the native state. This problem of inverse design has been addressed by assigning topological indices for the monomer sites (vertices) of the polymer on a 3×3×3 cubic lattice. This is a simple design strategy, which takes into account only the topology of the target protein and identifies the best sequence for a given composition. The procedure allows the design of a good sequence for a target native state by assigning weights for the vertices on a lattice site in a given conformation. It is seen across a variety of conformations that the predicted sequences perform well both in sequence and in conformation space, in identifying the target conformation as native state for a fixed composition of amino acids. Although the method is tested in the framework of the HP model [K. F. Lau and K. A. Dill, Macromolecules 22, 3986 (1989)] it can be used in any context if proper potential functions are available, since the procedure derives unique weights for all the sites (vertices, nodes) of the polymer chain of a chosen conformation (graph). © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1332809
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    The effect of attractions on the structure of fused sphere chains confined between surfaces (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 1608-1614 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The effect of attractive interactions on the behavior of polymers between surfaces is studied using Monte Carlo simulations. The molecules are modeled as fused sphere freely rotating chains with fixed bond lengths and bond angles; wall–fluid and fluid–fluid site–site interaction potentials are of the hard sphere plus Yukawa form. For athermal chains the density at the surface (relative to the bulk) is depleted at low densities and enhanced at high densities. The introduction of a fluid–fluid attraction causes a reduction of site density at the surface, and an introduction of a wall–fluid attraction causes an enhancement of site density at the surface, compared to when these interactions are absent. When the wall–fluid and fluid–fluid attractions are of comparable strength, however, the depletion mechanism due to the fluid–fluid attraction dominates. The center of mass profiles show the same trends as the site density profiles. Near the surface, the parallel and the perpendicular components of chain dimensions are different, which is explained in terms of a reorientation of chains. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479421
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    A simple weighted-density-functional approach to the structure of inhomogeneous fluids (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 8509-8516 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simple weighted-density-functional approach is developed for inhomogeneous fluids by approximating the excess free energy density functional by that of the corresponding uniform system evaluated at an effective density. This effective weighted density is obtained by a suitable local averaging procedure of the actual density distribution using a weight function which is evaluated only once at the bulk density, thus being decoupled from the weighted density. This approach does not involve any power series expansion or solution of any nonlinear differential equation at every point and each iteration, as is required in some of the analogous schemes. The new theory is applied to predict the structure of simple classical fluids, interacting with hard sphere, Coulombic as well as Yukawa potentials, under confinement in several geometries. The calculated results on the density profiles are shown to compare quite well with available simulation data. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1469617
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Generalized van der Waals density functional theory for nonuniform polymers (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 1579-1584 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A density functional theory is presented for the effect of attractions on the structure of polymers at surfaces. The theory treats the ideal gas functional exactly, and uses a weighted density approximation for the hard chain contribution to the excess free energy functional. The attractive interactions are treated using a van der Waals approximation. The theory is in good agreement with computer simulations for the density profiles at surfaces for a wide range of densities and temperatures, except for low polymer densities at low temperatures where it overestimates the depletion of chains from the surface. This deficiency is attributed to the neglect of liquid state correlations in the van der Waals term of the free energy functional. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480706
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Electric double layer at a metal/electrolyte interface: A density functional approach (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 2556-2561 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structure of electric double layer at a metal/electrolyte interface is studied here using a density functional approach for the metallic electrons as well as the ions of the electrolyte. The metal is represented by a jellium and the electrolyte is modeled as an ensemble of charged hard sphere ions. The minimization of the total energy which includes the interaction of metallic electrons with the electrolyte ions yields the electron and the ion density distribution at the interface. The calculated interfacial capacitance compares quite well with the reported experimental results. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468685
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    A nonlocal density functional theory of electric double layer: Symmetric electrolytes (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 5219-5229 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The density functional theory of inhomogeneous classical neutral fluids is extended to study the structure of electric double layer using the restricted primitive model as well as the nonprimitive three-component molecular solvent model. The formalism is based on a weighted density approach where the hard-sphere contributions to the excess free energy density and the one-particle correlation function are evaluated nonperturbatively using a position-dependent effective density while the corresponding ionic part is obtained through a second-order functional Taylor expansion around this effective density. The calculated results for the density profiles of the ions and the mean electrostatic potential are in good agreement with the available simulation results for the continuum solvent primitive model. The corresponding results for the nonprimitive molecular solvent model provide insight into the layering effect due to hard-sphere exclusion and the charge inversion phenomena.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467186
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    Structure of electric double layers: A simple weighted density functional approach (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 9832-9838 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simple weighted density functional approach is developed for inhomogeneous ionic fluids and applied to the structure of the electric double layer using the restricted primitive model where the ions are considered to be charged hard spheres of equal diameter. The formalism is nonperturbative with both hard-sphere and electrical contributions to the one-particle correlation function evaluated through a suitably averaged weighted density, the only input being the second-order direct correlation functions of the corresponding uniform system. The approach is designed in such a way, that the calculation of the weight function is decoupled from the weighted density. Numerical results on the ionic density profile and the mean electrostatic potential near a hard wall at several surface charge densities are shown to compare well with available simulation results. The corresponding results for the nonprimitive molecular solvent model provide insight into the layering effect and the charge inversion phenomena. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480319
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    Structure of binary hard-sphere mixtures near a hard wall: A simple weighted-density-functional approach (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 6573-6578 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structure of binary hard-sphere mixtures near a hard wall is studied using a density functional theory. The formalism is based on a simple weighted density approach for the one-particle correlation functions of the nonuniform system, and requires as input only the one- and two-particle direct correlation functions of the corresponding uniform system. The approach is designed in a way, where the weight function is decoupled from the weighted density. Numerical results on the density profiles are shown to compare well with available simulation data. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479948
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    A nonlocal density-functional theory of electric double layer: Charge-asymmetric electrolytes (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 4143-4149 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A nonlocal density-functional theory of inhomogeneous ionic fluids proposed by us recently [J. Chem. Phys. 100, 5219 (1994)] for symmetric electrolytes is extended to study the structure of electric double layer for a charge-asymmetric (2:1) situation involving hard sphere ions of equal diameter with a continuum or neutral hard sphere model for the solvent. The hard sphere contributions to the excess free energy density and its derivatives for the inhomogeneous system are evaluated nonperturbatively through a position-dependent effective weighted density, which is also used to obtain the corresponding ionic contributions through a second-order functional Taylor expansion. The calculated results for the continuum solvent model show reasonably good agreement with the available simulation results, while the layering effect due to hard sphere exclusion and the charge inversion phenomena are some of the interesting consequences arising from the molecular nature of the solvent.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467464
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...