Zobrazeno 1 - 10
of 143 626
pro vyhledávání: '"Lennard-Jones"'
Autor:
Wu, Yijian, Philippe, Thomas
The classical nucleation theory (CNT) and its modified versions provide a convenient framework for describing the nucleation process under the capillary approximation. However, these models often predict nucleation rates that depart significantly fro
Externí odkaz:
http://arxiv.org/abs/2410.21522
Since the influential work of ten Wolde, Ruiz-Montero, and Frenkel [Phys. Rev. Lett. 75, 2714 (1995)], crystal nucleation from a Lennard-Jones fluid has been regarded as a paradigmatic example of metastable crystal ordering at the surface of a critic
Externí odkaz:
http://arxiv.org/abs/2412.03276
Lennard-Jones (LJ) systems exhibit strikingly invariant structure and dynamics when energy polydispersity is introduced [Ingebrigtsen and Dyre, J. Phys. Chem. B 127, 2837 (2023)]. For instance, at a given state point the radial distribution function
Externí odkaz:
http://arxiv.org/abs/2411.07829
In the current work we revisit the pair-potential recently proposed by Wang et al. (Phys. Chem. Chem. Phys. 10624, 22, 2020) as a well defined finite-range alternative to the widely used Lennard-Jones interaction model. The advantage of their propose
Externí odkaz:
http://arxiv.org/abs/2407.14688
Autor:
Yamaguchi, Yoshiyuki Y.
The three-body Lennard-Jones system on the plane has a transition state, which is the straight conformation located at a saddle point of the potential energy landscape. We show that the transition state can be dynamically stabilized by excited vibrat
Externí odkaz:
http://arxiv.org/abs/2409.00932
Via molecular dynamics simulations we study ICE formation in the TIP4P/Ice model that is known to describe structure and dynamics in various phases of WATER accurately. For this purpose well equilibrated configurations from different initial temperat
Externí odkaz:
http://arxiv.org/abs/2407.06954
The diffusionless martensitic phase transition from a hexagonal close-packed (hcp) arrangement to the face-centered close-packed (fcc) and subsequently the body-centered cubic (bcc) lattice is discussed for a Lennard-Jones solid. The associated latti
Externí odkaz:
http://arxiv.org/abs/2406.09635
Autor:
Wang, Junwen, Cheng, Shengfeng
A compact analytical form is derived via an integration approach for the interaction between a sphere and a thin rod of both finite and infinite lengths, with each object treated as a continuous medium of materials points interacting by the Lennard-J
Externí odkaz:
http://arxiv.org/abs/2405.03944
An analytical form has been derived using Ostrogradski's integration method for the interaction between two thin rods of finite lengths in arbitrary relative configurations in a 3-dimensional space, each treated as a line of material points interacti
Externí odkaz:
http://arxiv.org/abs/2405.03941
Autor:
Porion, Patrice, Puibasset, Joël
The freezing/melting transition is at the heart of many natural and industrial processes. In the classical picture, the transition proceeds via the nucleation of the new phase, which has to overcome a barrier associated to the free energy cost of the
Externí odkaz:
http://arxiv.org/abs/2404.18590