Zobrazeno 1 - 10
of 200
pro vyhledávání: '"Caro, Alfredo"'
Autor:
Dierichs, Angelika
Publikováno v:
Antike Welt, 2002 Jan 01. 33(2), 257-259.
Externí odkaz:
https://www.jstor.org/stable/44425335
In this work we examine the driving force for edge dislocations to climb in $\alpha$-Fe from atomistic and mesoscale viewpoints. We study the bias for the climb process depending on the dislocation orientation and the applied stress as coming from bo
Externí odkaz:
http://arxiv.org/abs/2011.03453
Autor:
Dezerald, Lucile1,2, Kohanoff, Jorge J.3, Correa, Alfredo A.4, Caro, Alfredo5, Pellenq, Roland J.-M.1,2,6, Ulm, Franz J.1,2, Saúl, Andrés1,2,6 saul@cinam.univ-mrs.fr
Publikováno v:
Environmental Science & Technology. 11/17/2015, Vol. 49 Issue 22, p13676-13683. 8p.
Publikováno v:
In Computational Materials Science 1 June 2021 193
Modeling semicoherent metal-metal interfaces has so far been performed using atomistic simulations based on semiempirical interatomic potentials. We demonstrate through more precise ab-initio calculations that key conclusions drawn from previous stud
Externí odkaz:
http://arxiv.org/abs/1405.5570
Atomistic simulations of liquid alloys face the challenge of correctly modeling basic thermodynamic properties. In this work we present an interatomic potential for the Li-Pb system, as well as a study of physical properties of Li-Pb alloys. Despite
Externí odkaz:
http://arxiv.org/abs/1309.6152
Autor:
Sadigh, Babak, Erhart, Paul, Stukowski, Alexander, Caro, Alfredo, Martinez, Enrique, Zepeda-Ruiz, Luis
Publikováno v:
Physical Review B 85, 184203 (2012)
We present an extension of the semi-grandcanonical (SGC) ensemble that we refer to as the variance-constrained semi-grandcanonical (VC-SGC) ensemble. It allows for transmutation Monte Carlo simulations of multicomponent systems in multiphase regions
Externí odkaz:
http://arxiv.org/abs/1012.5082
Publikováno v:
Physical Review B 77, 134206 (2008)
Short-range order (SRO) in Fe-rich Fe-Cr alloys is investigated by means of atomistic off-lattice Monte Carlo simulations in the semi-grand canonical ensemble using classical interatomic potentials. The SRO parameter defined by Cowley [Phys. Rev. B 7
Externí odkaz:
http://arxiv.org/abs/1009.0511
Publikováno v:
Applied Physics Letters 92, 141904 (2008)
The heat of formation of Fe-Cr alloys undergoes an anomalous change of sign at small Cr concentrations. This observation raises the question whether there are intermetallic phases present in this composition range. Here we report the discovery of sev
Externí odkaz:
http://arxiv.org/abs/1009.0510
Autor:
Béland, Laurent Karim, Tamm, Artur, Mu, Sai, Samolyuk, German D., Osetsky, Yuri N., Aabloo, Alvo, Klintenberg, Mattias, Caro, Alfredo, Stoller, Roger E.
Publikováno v:
In Computer Physics Communications October 2017 219:11-19