65 research outputs found
Analytic Formulas for the Orientation Dependence of Step Stiffness and Line Tension: Key Ingredients for Numerical Modeling
We present explicit analytic, twice-differentiable expressions for the
temperature-dependent anisotropic step line tension and step stiffness for the
two principal surfaces of face-centered-cubic crystals, the square {001} and
the hexagonal {111}. These expressions improve on simple expressions that are
valid only for low temperatures and away from singular orientations. They are
well suited for implementation into numerical methods such as finite-element
simulation of step evolution.Comment: 10 pages; reformatted with revtex (with typos corrected) from version
accepted by SIAM--Multiscale Modeling and Simulation on Nov. 21, 2006;
greatly expanded introduction, several minor fixes (mostly stylistic
The Effects of Next-Nearest-Neighbor Interactions on the Orientation Dependence of Step Stiffness: Reconciling Theory with Experiment for Cu(001)
Within the solid-on-solid (SOS) approximation, we carry out a calculation of
the orientational dependence of the step stiffness on a square lattice with
nearest and next-nearest neighbor interactions. At low temperature our result
reduces to a simple, transparent expression. The effect of the strongest trio
(three-site, non pairwise) interaction can easily be incorporated by modifying
the interpretation of the two pairwise energies. The work is motivated by a
calculation based on nearest neighbors that underestimates the stiffness by a
factor of 4 in directions away from close-packed directions, and a subsequent
estimate of the stiffness in the two high-symmetry directions alone that
suggested that inclusion of next-nearest-neighbor attractions could fully
explain the discrepancy. As in these earlier papers, the discussion focuses on
Cu(001).Comment: 8 pages, 3 figures, submitted to Phys. Rev.
Low-Temperature Orientation Dependence of Step Stiffness on {111} Surfaces
For hexagonal nets, descriptive of {111} fcc surfaces, we derive from
combinatoric arguments a simple, low-temperature formula for the orientation
dependence of the surface step line tension and stiffness, as well as the
leading correction, based on the Ising model with nearest-neighbor (NN)
interactions. Our formula agrees well with experimental data for both Ag and
Cu{111} surfaces, indicating that NN-interactions alone can account for the
data in these cases (in contrast to results for Cu{001}). Experimentally
significant corollaries of the low-temperature derivation show that the step
line tension cannot be extracted from the stiffness and that with plausible
assumptions the low-temperature stiffness should have 6-fold symmetry, in
contrast to the 3-fold symmetry of the crystal shape. We examine Zia's exact
implicit solution in detail, using numerical methods for general orientations
and deriving many analytic results including explicit solutions in the two
high-symmetry directions. From these exact results we rederive our simple
result and explore subtle behavior near close-packed directions. To account for
the 3-fold symmetry in a lattice gas model, we invoke a novel
orientation-dependent trio interaction and examine its consequences.Comment: 11 pages, 8 figure
Using the Wigner-Ibach Surmise to Analyze Terrace-Width Distributions: History, User's Guide, and Advances
A history is given of the applications of the simple expression generalized
from the surmise by Wigner and also by Ibach to extract the strength of the
interaction between steps on a vicinal surface, via the terrace width
distribution (TWD). A concise guide for use with experiments and a summary of
some recent extensions are provided.Comment: 11 pages, 4 figures, reformatted (with revtex) version of refereed
paper for special issue of Applied Physics A entitled "From Surface Science
to Device Physics", in honor of the retirements of Prof. H. Ibach and Prof.
H. L\"ut
Directing Anisotropic Assembly of Metallic Nanoclusters by Exploiting Linear Trio Interactions and Quantum Size Effects: Au Chains on Ag(100) Thin Films
Discovery and understanding of mechanisms for kinetically controlled growth of metal nanoclusters can be enabled by realistic atomistic-level modeling with ab initio kinetics. KMC simulation of such a model for Au deposition on Ag(100) films reveals the formation of single-atom-wide Au chains below 275 K, even though 2D islands are thermodynamically preferred. Chain formation is shown to reflect a combination of strong linear trio attractions guiding assembly and a weak driving force and slow rate of transformation of 1D chains to 2D islands (or sometimes irreversible rounding of adatoms from chain sides to ends). Behavior can also be tuned by quantum size effects: chain formation predominates on 2-monolayer Ag(100) films supported on NiAl(100) at 250 K for low coverages but not on 1- or 3-monolayer films, and longer chains form than on bulk Ag(100). Our predictive kinetic modeling shows the potential for simulation-guided discovery and analysis of novel self-assembly processes
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Differential epigenetic reprogramming in response to specific endocrine therapies promotes cholesterol biosynthesis and cellular invasion
Endocrine therapies target the activation of the oestrogen receptor alpha (ERα) via distinct mechanisms, but it is not clear whether breast cancer cells can adapt to treatment using drug-specific mechanisms. Here we demonstrate that resistance emerges via drug-specific epigenetic reprogramming. Resistant cells display a spectrum of phenotypical changes with invasive phenotypes evolving in lines resistant to the aromatase inhibitor (AI). Orthogonal genomics analysis of reprogrammed regulatory regions identifies individual drug-induced epigenetic states involving large topologically associating domains (TADs) and the activation of super-enhancers. AI-resistant cells activate endogenous cholesterol biosynthesis (CB) through stable epigenetic activation in vitro and in vivo. Mechanistically, CB sparks the constitutive activation of oestrogen receptors alpha (ERα) in AI-resistant cells, partly via the biosynthesis of 27-hydroxycholesterol. By targeting CB using statins, ERα binding is reduced and cell invasion is prevented. Epigenomic-led stratification can predict resistance to AI in a subset of ERα-positive patients
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STATUS OF ITEP DECABORANE ION SOURCE PROGRAM.
The joint research and development program is continued to develop steady-state ion source of decaborane beam for ion implantation industry. Both Freeman and Bemas ion sources for decaborane ion beam generation were investigated. Decaborane negative ion beam as well as positive ion beam were generated and delivered to the output of mass separator. Experimental results obtained in ITEP are presented
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