Zobrazeno 1 - 10
of 3 139
pro vyhledávání: '"Nicolás, G."'
One-body reduced density matrix functional theory (RDMFT) provides an alternative to Density Functional Theory (DFT), able to treat static correlation while keeping a relatively low computation scaling. Its disadvantageous cost comes mainly from a sl
Externí odkaz:
http://arxiv.org/abs/2401.16324
Using the example of a proton adsorption process, we analyze and compare two prominent modelling approaches in computational electrochemistry at metallic electrodes - electronically canonical, constant-charge and electronically grand-canonical, const
Externí odkaz:
http://arxiv.org/abs/2312.00911
Experimental cyclic voltammograms (CVs) measured in the slow scan rate limit can be entirely described in terms of thermodynamic equilibrium quantities of the electrified solid-liquid interface. They correspondingly serve as an important benchmark fo
Externí odkaz:
http://arxiv.org/abs/2308.15941
We introduce a framework for generating samples of a distribution given a finite number of its moments, targeted to particle-based solutions of kinetic equations and rarefied gas flow simulations. Our model, referred to as the Wasserstein-Entropy dis
Externí odkaz:
http://arxiv.org/abs/2308.02607
How does an electrochemical interface respond to changes in the electrode potential? How does the response affect the key properties of the system - energetics, excess charge, capacitance? Essential questions key to ab-initio simulations of electroch
Externí odkaz:
http://arxiv.org/abs/2307.09817
We introduce MESSY estimation, a Maximum-Entropy based Stochastic and Symbolic densitY estimation method. The proposed approach recovers probability density functions symbolically from samples using moments of a Gradient flow in which the ansatz serv
Externí odkaz:
http://arxiv.org/abs/2306.04120
Autor:
Bluschke, Martin, Gupta, Naman K., Jang, Hoyoung, Husain, Ali A., Lee, Byungjune, Na, MengXing, Remedios, Brandon Dos, Smit, Steef, Moen, Peter, Park, Sang-Youn, Kim, Minseok, Jang, Dogeun, Choi, Hyeongi, Sutarto, Ronny, Reid, Alexander H., Dakovski, Georgi L., Coslovich, Giacomo, Nguyen, Quynh L., Burdet, Nicolas G., Lin, Ming-Fu, Revcolevschi, Alexandre, Park, Jae-Hoon, Geck, Jochen, Turner, Joshua J., Damascelli, Andrea, Hawthorn, David G.
Understanding the interplay between charge, nematic, and structural ordering tendencies in cuprate superconductors is critical to unraveling their complex phase diagram. Using pump-probe time-resolved resonant x-ray scattering on the (0 0 1) Bragg pe
Externí odkaz:
http://arxiv.org/abs/2209.11528
Publikováno v:
Boletín de la Sociedad Española de Cerámica y Vidrio, Vol 44, Iss 6, Pp 373-378 (2005)
Laser induced plasma spectroscopy (LIPS) has been applied for the elemental analysis of roman pottery Terra Sigillata from different ceramic production centers. For each sample, representative LIP spectra of slip and body were obtained in addition of
Externí odkaz:
https://doaj.org/article/227ad71eb37a4ba3bd90018ddc036727
Autor:
Chitturi, Sathya R., Burdet, Nicolas G., Nashed, Youssef, Ratner, Daniel, Mishra, Aashwin, Lane, TJ, Seaberg, Matthew, Esposito, Vincent, Yoon, Chun H., Dunne, Mike, Turner, Joshua J.
X-ray free electron laser (XFEL) experiments have brought unique capabilities and opened new directions in research, such as creating new states of matter or directly measuring atomic motion. One such area is the ability to use finely spaced sets of
Externí odkaz:
http://arxiv.org/abs/2206.09064
Modelización y monitorización de procesos de refusión láser de recubrimientos depositados por plasma
Autor:
Amado, J. M., Álvarez, C., Nicolás, G., López, A. J., Pérez, J. A., Ramil, A., Saavedra, E., Sanesteban, J., Tobar, M. J., Yáñez, A.
Publikováno v:
Boletín de la Sociedad Española de Cerámica y Vidrio, Vol 43, Iss 2, Pp 441-444 (2004)
This paper shows a theoretical and experimental study of the CO2 laser remelting of plasma sprayed coatings. The aim of the process is the decrease of the porosity to improve the layer properties. In a first approach simulation helps in finding the r
Externí odkaz:
https://doaj.org/article/697787f7073041e0b0ea602ad7a08059