Department of Chemistry
Princeton University
Princeton, NJ 08540
Frank Stillinger

 
Frank H. Stillinger  
 
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    J. Phys. Chem. B -- Frank H. Stillinger Festschrift Journal of Physical Chemistry B
    Frank H. Stillinger Festschrift
    [Table of Contents]

     
    Frank's autobiography
    "The factors that capture attention and create long-term interests in young children have been, and will remain, subjects of speculation and debate." (more)

    Tributes


    Frank's research interests include the molecular theory of water and aqueous solutions, the physical chemistry of solid and liquid interfaces, phase transition theory, structure and relaxation processes in supercooled liquids and glasses, and atomic and molecular quantum theory.
    His current research activities include the structure and kinetics of metastable materials (especially glasses), and the theoretical modeling of inverse melting phenomena.

    His past research activity has involved the molecular theory of water and aqueous solutions, the physical chemistry of solid and liquid surfaces, and atomic and molecular quantum theory. His discoveries include:

    • Convergence-limiting singularities in atomic and molecular quantum theory (2000).
    • Connection between spinodal curves and mechanical strength of glasses (1997)
    • Long-range broken symmetry in impurity-perturbed disk crystals (1995)
    • Resolution of the translation-rotation paradox in fragile glass formers (1993)
    • Planck's constant expansion for quantum mechanical bound states (1991)
    • Impossibility of "ideal" glass transitions in molecular liquids (1988)
    • Stillinger-Weber potential for silicon (1986)
    • Inverse Lindemann criterion for freezing of liquids (1985)
    • Inherent structure theory for liquids (1981)
    • Axiomatic basis for spaces with fractional dimension (1977)
    • Semiconductor heterostructures supporting bound states in the continuum (1977)
    • "Fast sound" in water (1974)
    • The Stillinger-Lovett second moment identity for electrolytes (1968)
    • Capillary wave theory for liquid interfaces (1965).

    A recent talk titled "Modeling Prebiotic Appearance of Biological Chirality" written with Thomas G. Lombardo and Pablo G. Debenedetti of the Chemical Engineering Dept., Princeton, was given in May 2009 at Rutgers University.
    A recent paper of interest is "Negative Poisson's Materials via Isotropic Interactions," M.C. Rechtsman, F.H. Stillinger, and S. Torquato, Phys. Rev. Letters 101, 085501 (2008).

    Abstract: We show that under tension a classical many-body system with only isotropic pair interactions in a crystalline state can, counterintuitively, have a negative Poisson’s ratio, or auxetic behavior.We derive the conditions under which the triangular lattice in two dimensions and lattices with cubic symmetry in three dimensions exhibit a negative Poisson’s ratio. In the former case, the simple Lennard-Jones potential can give rise to auxetic behavior. In the latter case, a negative Poisson’s ratio can be exhibited even when the material is constrained to be elastically isotropic.

    Another project

    The objective is to find inherent structures (potential energy minima, mechanically stable arrangements) for a set of attracting particles that initially are widely dispersed. For ease of visualization, the initial phase of this study was confined to two dimensions; currently the three dimensional case is being explored. Random initial configurations of the N particles will be mapped onto the final inherent structure configurations by a numerical steepest descent on the potential energy surface. This procedure involves simultaneously moving all particles in directions, and at rates, proportional to the forces that they experience.

    Interest centers around the final (approximate) inherent structure arrangement and its potential energy value. An objective is to determine if the arrangements are compact and convex, or are irregular "fractal" shapes.

    You can watch particles move according to the steepest descent algorithm from an initial diffuse random array towards a more compact array with lower potential energy. A fortran program called MINOP from time to time grabs a particle array in the steepest descent sequence and produces an associated array, the "inherent structure," with potential energy at a local minimum. MINOP was written by Linda C. Kaufman (currently at William Paterson University) and is based on her discussion of a quasi-Newton trust region algorithm in SIAM J. OPTIM. Vol. 10, No. 1, pp. 56-69 (1999).

    Watch the Movie

    3D Case: 400 particles from initial three dimensional random configuration to final configuration with lowest potential energy.

    Initial random configuration of 400 particles. Intermediate configuration.
    Intermediate configuration near the end. Final configuration - lowest potential energy.

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    .PDF (Adobe Acrobat) files.

    fhs@princeton.edu
    Last updated 11-1-09