Search results for "Carlo"
showing 10 items of 1845 documents
Dosimetry comparison between TG-43 and Monte Carlo calculations using the Freiburg flap for skin high-dose-rate brachytherapy
2012
Abstract Purpose The purpose of this work was to evaluate whether the delivered dose to the skin surface and at the prescription depth when using a Freiburg flap applicator is in agreement with the one predicted by the treatment planning system (TPS) using the TG-43 dose-calculation formalism. Methods and Materials Monte Carlo (MC) simulations and radiochromic film measurements have been performed to obtain dose distributions with the source located at the center of one of the spheres and between two spheres. Primary and scatter dose contributions were evaluated to understand the role played by the scatter component. A standard treatment plan was generated using MC- and TG-43-based TPS appl…
Computing absolute free energies of disordered structures by molecular simulation
2009
We present a Monte Carlo simulation technique by which the free energy of disordered systems can be computed directly. It is based on thermodynamic integration. The central idea is to construct an analytically solvable reference system from a configuration which is representative for the state of interest. The method can be applied to lattice models (e.g., the Ising model) as well as off-lattice molecular models. We focus mainly on the more challenging off-lattice case. We propose a Monte Carlo algorithm, by which the thermodynamic integration path can be sampled efficiently. At the examples of the hard sphere liquid and a hard disk solid with a defect, we discuss several properties of the …
Low temperature X-ray absorption spectroscopy study of $CuMoO_{4}$ and $CuMo_{0.90}W_{0.10}O_4$ using reverse Monte-Carlo method
2020
Radiation physics and chemistry 175, 108411 (2020). doi:10.1016/j.radphyschem.2019.108411
Continuum limit in random sequential adsorption.
1991
We develop analytical estimates of the late-stage (long-time) asymptotic behavior of the coverage in the D-dimensional lattice models of irreversible deposition of hypercube-shaped particles. Our results elucidate the crossover from the exponential time dependence for the lattice case to the power-law behavior with a multiplicative logarithmic factor, in the continuum deposition. Numerical Monte Carlo results are reported for the two-dimensional (2D) deposition, both lattice and continuum. Combined with the exact 1D results, they are used to test the general theoretical expectations for the late-stage deposition kinetics. New accurate estimates of the jamming coverages in 2D rule out some e…
Peptide Metal–Organic Frameworks for Enantioselective Separation of Chiral Drugs
2017
We report the ability of a chiral Cu(II) 3D MOF based on the tripeptide Gly-L-His-Gly (GHG) for the enantioselective separation of metamphetamine and ephedrine. Monte Carlo simulations suggest that chiral recognition is linked to preferential binding of one of the enantiomers as result of either stronger or additional H-bonds with the framework that lead to energetically more stable diastereomeric adducts. Solid phase extraction (SPE) of a racemic mixture by using Cu(GHG) as extractive phase permits isolating more than 50% of the (+)-ephedrine enantiomer as target compound in only four minutes. To the best of our knowledge, this represents the first example of a MOF capable of separating ch…
Analysis of transverse momentum correlations in hadronic Z decays
1999
In a recent paper, evidence was presented for a significant, positive correlation between the total transverse momenta of particles on opposite hemispheres of hadronic events. A new, model independent analysis of the data has been made. Two components can be distinguished in the correlation, and quantitative estimates of each are given. The results form a significant test of Monte Carlo models and some of the physics behind them. (C) 1999 Published by Elsevier Science B.V. All rights reserved.
Recensione di I. Daidone, Giancarlo De Carlo. Gli editoriali di Spazio e Società
2021
Il libro racconta una “storia” che cerca di far comprendere l’importanza e l’attualità dell’architettura sociale, ovvero il riesame della contraddittoria questione fra spazio e società. L’attualità del pensiero di Giancarlo De Carlo, attraverso un’attenta rilettura degli editoriali – raccolti e ripubblicati per la prima volta. Il saggio di Isabella Daidone ripercorre l’esperienza editoriale della rivista «Spazio e Società» con una ricognizione mirata, una narrazione ricomposta che svela la trama di relazioni tra la rivista e il contesto storico degli avvenimenti. Il libro è una riflessione divisa in parti che, come in un racconto rizomatico – un concetto tratto dalla biologia, metafora del …
Visiones encontradas de los historiadores sobre la independencia de América
2013
Para el historiador que no es testigo de los sucesos es difícil sentar los hechos históricos, y sobre todo interpretarlos desde su particular posición. Con facilidad se desliza el error, la duda, y más aún los contamina con los valores o concepciones que el historiador mantiene. En este trabajo vemos de enmarcar los hechos más esenciales del levantamiento de Hidalgo en la Nueva España. Nuestro propósito es comparar la forma de presentar estos acontecimientos de la independencia de México por varios historiadores españoles en el pasado siglo. Los hechos son los mismos, sin embargo la narración presenta matices y consideraciones diversas, según la etapa y la ideología del autor.
Classical and Quantum Two-Dimensional Fluids in the Gibbs Ensemble
1994
We study the properties of model fluids in two spatial dimensions with Gibbs ensemble Monte Carlo (GEMC) techniques. In particular in the first part of the paper we study the entropy driven phase separation in case of a nonadditive symmetric hard disc fluid and locate by a combination of GEMC with finite size scaling techniques the critical line of nonadditivities as a function of the system density, which separates the mixing/demixing regions, we compare with a simple approximation. In the second part we successfully combine path integral Monte Carlo (PIMC) and GEMC techniques in order to locate the gas-liquid coexistence densities for a fluid with classical degrees of freedom and internal…
Atomistic simulations of the FeK-edge EXAFS in FeF3using molecular dynamics and reverse Monte Carlo methods
2016
Atomistic simulations of the experimental Fe K-edge extended x-ray absorption fine structure (EXAFS) of rhombohedral (space group ) FeF3 at T = 300 K were performed using classical molecular dynamics and reverse Monte Carlo (RMC) methods. The use of two complementary theoretical approaches allowed us to account accurately for thermal disorder effects in EXAFS and to validate the developed force-field model, which was constructed as a sum of two-body Buckingham-type (Fe–F and F–F), three-body harmonic (Fe–F–Fe) and Coulomb potentials. We found that the shape of the Fe K-edge EXAFS spectrum of FeF3 is a more sensitive probe for the determination of potential parameters than the values of stru…