S. Whitelam

Publications132
h-index28
Citations4,286
Highly Influential Citations55
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Crystallization by particle attachment in synthetic, biogenic, and geologic environments
TLDR
The current understanding of CPA is described, some of the nonclassical thermodynamic and dynamic mechanisms known to give rise to experimentally observed pathways are examined, and the challenges to the understanding of these mechanisms are highlighted.
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Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions
TLDR
This study uses molecular dynamics simulations to probe the structure, dynamics, and energetics of hydrated CaCO3 clusters and lattice gas simulations to explore the behavior of cluster populations before nucleation and predicts formation of a dense liquid phase through liquid-liquid separation within the concentration range in which clusters are observed.
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Avoiding unphysical kinetic traps in Monte Carlo simulations of strongly attractive particles.
TLDR
A "virtual-move" Monte Carlo algorithm for systems of pairwise-interacting particles that employs a size- and shape-dependent damping of cluster movements, motivated by collective hydrodynamic effects neglected in simple implementations of Brownian dynamics is introduced.
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Real-Time Imaging of Pt3Fe Nanorod Growth in Solution
TLDR
Real-time transmission electron microscopy (TEM) imaging of the solution growth of Pt3Fe nanorods from nanoparticle building blocks is reported, and quantification of nanoparticle interaction and understanding the growth pathways are important for the design of hierarchical nanomaterials and controlling nanocrystal self-assembly for functional devices.
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Transformation from spots to waves in a model of actin pattern formation.
TLDR
A possible physical mechanism for the interplay of anisotropic actin growth and spatial inhibition drives a transformation at fixed parameter values from static spots to moving spots to waves.
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Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals.
TLDR
This work presents a new in situ luminescence-based probe enabling direct quantification of nanocrystal phase transformations, applied here to the hydriding transformation of palladium nanocrystals, revealing the intrinsic kinetics and thermodynamics of Nanoconfinement of a thermally driven, first-order phase transition.
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The role of collective motion in examples of coarsening and self-assembly.
TLDR
It is found that coarsening within a two dimensional attractive lattice gas (and an analogous off-lattice model in three dimensions) is naturally dominated by collective motion over a broad range of temperatures and densities.
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There and (slowly) back again: entropy-driven hysteresis in a model of DNA overstretching.
TLDR
It is shown that the long-wavelength progression of the unpeeled front generates hysteresis, the character of which agrees with experiment only if the authors assume the existence of S-DNA, and that internal melting can generate hysteresa, the degree of which depends upon the nonextensive loop entropy of single-stranded DNA.
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Design, Synthesis, Assembly, and Engineering of Peptoid Nanosheets.
TLDR
It is discovered that individual peptoid polymers with a simple sequence of alternating hydrophobic and ionic monomers can self-assemble into highly ordered, free-floating nanosheets, which provide a robust platform for the discovery of new classes of nanOSheets with tunable properties and novel applications.
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Peptoid nanosheets exhibit a new secondary-structure motif
TLDR
The authors' simulations show that nanosheets are structurally and dynamically heterogeneous, can be formed only from peptoids of certain lengths, and are potentially porous to water and ions, and the concept of building regular structures from multiple rotational states can be generalized beyond the peptoid nanosheet system.
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