Dissemination

Publications

Talks

Posters

Most recent dissemination activities:
Reconciling simulated melting and ground-state properties of metals with a modified embedded-atom method potential

We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum as case studies, we demonstrate that simulations performed with the modified force field yield quantitatively correctly both the melting temperature of the metals and their ground-state properties. It is shown that the accounting for the long-range interatomic interactions noticeably affects the melting point assessment.

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Screening corrections for the interference contributions to the electron and positron scattering cross sections from polyatomic molecules

An improvement of the screening-corrected Additivity Rule (SCAR) is proposed for calculating electron and positron scattering cross sections from polyatomic molecules within the independent atom model (IAM), following the analysis of numerical solutions to the three-dimensional Lippmann–Schwinger equation for multicenter potentials. Interference contributions affect all the considered energy range (1–300 eV); the lower energies where the atomic screening is most effective and higher energies, where interatomic distances are large compared to total cross sections and electron wavelengths.

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An In Vitro Study of Gadolinium and Gold Nanoparticles as Radiosensitizers with X-rays in Prostate Cancer

Soraia Rosa, Olivier Tillement, Karl Butterworth and Kevin M. Prise, Irish Radiation Research Society, November 1-12, 2016

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Exploration of systems at the nanoscale level: Dynamics of systems on the nanoscale

S. Grellet, M.A. Smialek, N. Mason, J. Golding, Dynamics of Systems in the Nanoscale 2016, October 3-7, 2016

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Influence of Secondary Electron Energy and Angular Distributions on Swift Proton Radial Doses in PMMA

Maurizio Dapor, Pablo de Vera, Isabel Abril, Rafael Garcia-Molina, Dynamics of Systems in the Nanoscale 2016, October 3-7, 2016

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Medium to Low Energy Anion Beams and Their Application to Biomolecule Fragmentation

L. Ellis-Gibbings, A. Traore, K. Krupa, J. C. Oller, F. Ferreira da Silva, P. Limao-Vieira and G. Garcia, SPIG 2016

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Modeling of electron emission from gold nanoparticle

Kaspar Haume, Pablo de Vera, Alexey V. Verkhovtsev, Eugene Surdotovich, Nigel J. Mason, Andrey V. Solov’yov, Dynamics of Systems in the Nanoscale 2016, October 3-7, 2016

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Atomistic simulation of the effects in DNA of nanoscale shock waves produced by energetic ion beams

P. de Vera, F. Currell, N. J. Mason, and A. Solov'yov; 2nd Conference on Multiscale Modelling of Condensed Phase and Biological Systems, Manchester, April 13th to 15th 2016. Poster presentation by ESR 8/15 Pablo de Vera Gomis.

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The use of nanoparticles to improve hadrontherapy

E. Porcel, M. Bolsa, N. Usami, K. Kobayashi, O. Tillement, Y. Furusawa, D. Salado, L. Stefancikova, V. Ivosev and S. Lacombe, ICTR-PHE 2016.
From February 15th to 19th, Marta Bolsa Ferruz (ESR 1) went in Geneva, Switzerland to promote Argent through the presentation of her poster.

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Multiscale modelling for advanced radiotherapy: from atoms to tumours

P. de Vera, F. Currell, J. Kohanoff, S. Lacombe, N. J. Mason, and A. Solov'yov; 2nd Conference on Multiscale Modelling of Condensed Phase and Biological Systems, Manchester, April 13th to 15th 2016. Oral presentation by ESR 8/15 Pablo de Vera Gomis

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