9 research outputs found
Energy landscape, two-level systems and entropy barriers in Lennard-Jones clusters
We develop an efficient numerical algorithm for the identification of a large
number of saddle points of the potential energy function of Lennard- Jones
clusters. Knowledge of the saddle points allows us to find many thousand
adjacent minima of clusters containing up to 80 argon atoms and to locate many
pairs of minima with the right characteristics to form two-level systems (TLS).
The true TLS are singled out by calculating the ground-state tunneling
splitting. The entropic contribution to all barriers is evaluated and
discussed.Comment: 4 pages, RevTex, 2 PostScript figure
Potential Energy Landscape and Long Time Dynamics in a Simple Model Glass
We analyze the properties of a Lennard-Jones system at the level of the
potential energy landscape. After an exhaustive investigation of the
topological features of the landscape of the systems, obtained studying small
size sample, we describe the dynamics of the systems in the multi-dimensional
configurational space by a simple model. This consider the configurational
space as a connected network of minima where the dynamics proceeds by jumps
described by an appropriate master equation. Using this model we are able to
reproduce the long time dynamics and the low temperature regime. We investigate
both the equilibrium regime and the off-equilibrium one, finding those typical
glassy behavior usually observed in the experiments such as: {\it i)} stretched
exponential relaxation, {\it ii)} temperature-dependent stretching parameter,
{\it iii)} breakdown of the Stokes-Einstein relation, and {\it iv)} appearance
of a critical temperature below which one observes deviation from the
fluctuation-dissipation relation as consequence of the lack of equilibrium in
the system.Comment: 11 pages (Latex), 9 ps figure
Free Energy Landscape Of Simple Liquids Near The Glass Transition
Properties of the free energy landscape in phase space of a dense hard sphere
system characterized by a discretized free energy functional of the
Ramakrishnan-Yussouff form are investigated numerically. A considerable number
of glassy local minima of the free energy are located and the distribution of
an appropriately defined ``overlap'' between minima is calculated. The process
of transition from the basin of attraction of a minimum to that of another one
is studied using a new ``microcanonical'' Monte Carlo procedure, leading to a
determination of the effective height of free energy barriers that separate
different glassy minima. The general appearance of the free energy landscape
resembles that of a putting green: deep minima separated by a fairly flat
structure. The growth of the effective free-energy barriers with increasing
density is consistent with the Vogel-Fulcher law, and this growth is primarily
driven by an entropic mechanism.Comment: 10 pages, 6 postscript figures, uses iopart.cls and iopart10.clo
(included). Invited talk at the ICTP Trieste Conference on "Unifying Concepts
in Glass Physics", September 1999. To be published in J. Phys. Cond. Ma
Randomized Dose-Ranging Trial of Tamoxifen at Low Doses in Hormone Replacement Therapy Users
The combination of hormone replacement therapy (HRT) and low-dose tamoxifen may retain the benefits while reducing the risks of either agent. We assessed the optimal biologic dose and schedule of tamoxifen in HRT users using surrogate end point biomarkers and menopausal symptoms. SUBJECTS AND METHODS: Two hundred ten current or de novo HRT users were randomly assigned to one of the following four arms: tamoxifen 1 mg/day and placebo/week, placebo/day and tamoxifen 10 mg/week, tamoxifen 5 mg/day and placebo/week, or both placebos for 12 months. The primary end point was the change of plasma insulinlike growth factor 1 (IGF-I) through 12 months, and secondary end points were IGF-I/IGF binding protein-3 (IGFBP-3) ratio, fibrinogen, antithrombin III, C reactive protein, C-telopeptide, mammographic percent density, and endometrial thickness. Endometrial proliferation was assessed by Pipelle biopsy in superficial, deep glandular, and stromal compartments after 12 months. RESULTS: Compared with placebo, IGF-I declined in all tamoxifen arms (P = .005), with a greater change on 5 mg/day (P = .019 v 10 mg/week or 1 mg/day). Tamoxifen increased IGFBP-3 and lowered antithrombin-III, C reactive protein, and mammographic density, with greater effects of 5 mg/day. Tamoxifen increased endometrial thickness but not Ki-67 expression, which was lower on 5 mg/day among the three doses. Menopausal symptoms were not significantly worsened by tamoxifen. CONCLUSION: Doses of tamoxifen < or = 5 mg/day modulate favorably biomarkers of breast carcinogenesis and cardiovascular risk in HRT users with no increase of endometrial proliferation and menopausal symptoms. A dose of 5 mg/day was the most effective and has been selected for a phase III trial in HRT users
Parameterized Model Order Reduction
This Chapter introduces parameterized, or parametric, Model Order Reduction (pMOR). The Sections are offered in a prefered order for reading, but can be read independently. Section 5.1, written by Jorge Fernández Villena, L. Miguel Silveira, Wil H.A. Schilders, Gabriela Ciuprina, Daniel Ioan and Sebastian Kula, overviews the basic principles for pMOR. Due to higher integration and increasing frequency-based effects, large, full Electromagnetic Models (EM) are needed for accurate prediction of the real behavior of integrated passives and interconnects. Furthermore, these structures are subject to parametric effects due to small variations of the geometric and physical properties of the inherent materials and manufacturing process. Accuracy requirements lead to huge models, which are expensive to simulate and this cost is increased when parameters and their effects are taken into account. This Section introduces the framework of pMOR, which aims at generating reduced models for systems depending on a set of parameters