Zobrazeno 1 - 10
of 1 393
pro vyhledávání: '"Vega Carlos"'
Autor:
Algaba, Jesús, Zerón, Iván M., Míguez, José Manuel, Grabowska, Joanna, Blazquez, Samuel, Sanz, Eduardo, Vega, Carlos, Blas, Felipe J.
Publikováno v:
J. Chem. Phys. 158, 184703 (2023)
In this paper, the solubility of carbon dioxide (CO$_{2}$) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and TraPPE model for CO$_{2}$. In particular, the solubility of
Externí odkaz:
http://arxiv.org/abs/2409.02600
Predictions of the interfacial free energy along the coexistence line from single-state calculations
Autor:
Sanchez-Burgos, Ignacio, de Hijes, Pablo Montero, Sanz, Eduardo, Vega, Carlos, Espinosa, Jorge R.
The calculation of the interfacial free energy between two thermodynamic phases is crucial across different fields including materials science, chemistry, and condensed matter physics. This study delves into a thermodynamic approach to predict interf
Externí odkaz:
http://arxiv.org/abs/2408.07469
Engineering deterministic photonic gates with simple resources is one of the long-standing challenges in photonic quantum computing. Here, we design a passive conditional gate between co-propagating photons using an array of only two-level emitters.
Externí odkaz:
http://arxiv.org/abs/2407.06283
Autor:
de Jager, Marjolein, Vega, Carlos, de Hijes, Pablo Montero, Smallenburg, Frank, Filion, Laura
In the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, the complex thermodynamics of crystal nuclei can sometimes give rise to
Externí odkaz:
http://arxiv.org/abs/2407.04394
Non-reciprocal couplings or drivings are known to induce steady-state, directional, amplification in driven-dissipative bosonic lattices. This amplification phenomena has been recently linked to the existence of a non-zero topological invariant defin
Externí odkaz:
http://arxiv.org/abs/2405.10176
Publikováno v:
J. Chem. Phys. 160, 174501 (2024)
In this work, we introduce Variational Umbrella Seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far less sensitive to the choice of order parameter for measuring the siz
Externí odkaz:
http://arxiv.org/abs/2402.13892
Interfacial free energy and Tolman length of curved liquid-solid interfaces from equilibrium studies
In this work, we study by means of simulations of hard spheres the equilibrium between a spherical solid cluster and the fluid. In the NVT ensemble we observe stable/metastable clusters of the solid phase in equilibrium with the fluid, representing c
Externí odkaz:
http://arxiv.org/abs/2401.13589
Publikováno v:
Physical Review Letters 126, 015704 (2021)
Ice nucleation is a phenomenon that, despite the relevant implications for life, atmospheric sciences, and technological applications, is far from being completely understood, especially under extreme thermodynamic conditions. In this work we present
Externí odkaz:
http://arxiv.org/abs/2401.12896
Autor:
Blazquez, Samuel, Vega, Carlos
Publikováno v:
J. Chem. Phys. 156, 216101 (2022)
By using the direct coexistence method, we have calculated the melting points of ice Ih at normal pressure for three recently proposed water models, namely, TIP3P-FB, TIP4P-FB, and TIP4P-D. We obtained Tm = 216 K for TIP3P-FB, Tm = 242 K for TIP4P-FB
Externí odkaz:
http://arxiv.org/abs/2401.11812
Publikováno v:
J. Chem. Phys. 156, 044505 (2022)
In this work, an extension of the Madrid-2019 force field is presented. We have added the cations Rb + and Cs + and the anions F$^-$, Br$^-$ and I$^-$. These ions were the remaining alkaline and halogen ions not previously considered in the Madrid-20
Externí odkaz:
http://arxiv.org/abs/2401.11802