相关论文: The Analytical Theory of Bulk Melting II: Variatio…
We investigate theoretically the crucial r\^{o}le of interstitialcies that trigger the melting of a boundary-free crystal. Based on an interstitialcy model that resembles the $J_1$-$J_2$ model of frustrated antiferromagnets with uniaxial…
We present molecular dynamics simulations of the influence of point defects on the shear elastic coefficients of copper. We find that vacancies do not influence these coefficients at all, while the introduction of interstitials causes a…
We present molecular dynamics simulations of the homogeneous (mechanical) melting transition of a bcc metal, vanadium. We study both the nominally perfect crystal as well as one that includes point defects. According to the Born criterion,…
The interfacial free energy is a central quantity in crystallization from the meta-stable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous…
Point defects in real crystals at finite temperatures are inevitable. Their dynamics severely influence the mechanical properties of crystals under shear giving rise to nonlinear effects such as ductility. Therefore, it is crucial to…
Employing the fracton-elastic duality, we develop a low-energy effective theory of a zero-temperature vortex crystal in a two-dimensional bosonic superfluid which naturally incorporates crystalline topological defects. We extract static…
A microscopic picture of the ``preparation'' of a crystal to the transition to liquid state at the approach to melting temperature is proposed. Basing on simple crystallogeometric considerations and the analysis of the computational results…
A continuum model of crystalline solid equilibrium is presented in which the underlying periodic lattice structure is taken explicitly into account. This model also allows for both point and line defects in the bulk of the lattice and at…
A revisiting of the Lindemann criterion under the recently established minimal viscosity formulation is proposed which uncovers intriguing insights into the melting process. The approach suggests that melting involves competition between…
We study in this paper the melting transition of a crystal of fcc structure with the Lennard-Jones potential, by using isobaric-isothermal Monte Carlo simulations. Local and collective updates are sequentially used to optimize the…
Thermal fluctuations constantly and evenly excite all vibrational modes in an equilibrium crystal. As the temperature rises, these fluctuations promote the formation of defects and eventually melting. In active solids, the self-propulsion…
We discuss the onset of irreversibility and entanglement of vortex lines in high Tc superconductors due to point disorder and thermal fluctuations using a simplified cage model. A combination of Flory arguments, known results from directed…
The Lindemann criterion is reformulated in terms of the average shear modulus $G_c$ of the melting crystal, indicating a critical melting shear strain which is necessary to form the many different inherent states of the liquid. In glass…
Melting is analyzed dynamically as a problem of localization at a liquid-solid interface. A Lindemann-like criterion of melting is derived in terms of particular vibrational amplitudes, which turn out to equal a universal quotient (about…
Understanding polymorph selection in atomic and molecular systems and its control through thermodynamic conditions and external factors (such as seed characteristics) is fundamental to the design of targeted materials and holds great…
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature,…
The theory of thermal fluctuations in crystalline membranes is put under scrutiny. In particular, the two critical regimes of the renormalisation group diagram, which are often left out of the discussion because of their instability in one…
The characteristics of intrinsic defects are important for the understanding of self-diffusion processes, mechanical strength, brittleness, and plasticity of tungsten carbide, which present in the divertor of fusion reactors. Here, we use…
We extend previous analysis of data for the melt-nucleus interfacial free energy, $\gamma$, gained from optical experiments on suspensions of charged colloidal spheres, which crystallize with body centred cubic (bcc) crystal structures.…
Melting behaviors of defective crystals under extreme conditions are theoretically investigated using the statistical moment method. In our theoretical model, heating processes cause missing atoms or vacancies in crystal structures via…