Related papers: Segregation competition and complexion coexistence…
Polymer blends offer an exciting material for various potential applications due to their tunable properties by varying constituting components and their relative composition. Our simulation results unravel an intrinsic relationship between…
Quality control in additive manufacturing can be achieved through variation control of the quantity of interest (QoI). We choose in this work the microstructural microsegregation to be our QoI. Microsegregation results from the spatial…
The thermal decomposition behavior, the microstructural evolution and its influence on the mechanical properties of a supersaturated Cu Co solid solution with ~100 nm average grain size prepared by severe plastic deformation is investigated…
Grain boundaries are dominant imperfections in nanocrystalline materials that form a complex 3-dimensional (3D) network. Solute segregation to grain boundaries is strongly coupled to the grain boundary character, which governs the stability…
Degradation of mechanical properties of zirconia polycrystals is hardly discussed in terms of solution-precipitation grain-boundary sliding due to experimental controversies over imaging of intergranular amorphous phases at high and room…
The internal organization of complex networks often has striking consequences on either their response to external perturbations or on their dynamical properties. In addition to small-world and scale-free properties, clustering is the most…
Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…
A number of experimental and theoretical findings in age hardening alloys suggest that specific solute elements preferentially segregate to and reduce the energy of the interphase boundary (IB). This segregation mechanism can stabilize the…
Segregation and dissolution behavior of Mg alloyed with Ca and Al are studied by performing density functional theory calculations considering an extensive set of surface structures and compositions. Combining ab initio surface science…
A model for two-dimensional colloids confined laterally by "structured boundaries" (i.e., ones that impose a periodicity along the slit) is studied by Monte Carlo simulations. When the distance D between the confining walls is reduced at…
Light elements play an important role in influencing the macroscale properties of engineering alloys through grain boundary (GB) segregation phenomena. However, the scarcity and scattered nature of ab initio datasets for light elements in…
A recently developed full field level-set model of continuous dynamic recrystallization is applied to simulate zircaloy-4 recrystallization during hot compression and subsequent heat treatment. The influence of strain rate, final strain and…
We present the mathematical analysis of generalized complex contagions in clustered multiplex networks for susceptible-infected-recovered (SIR)-like dynamics. The model is intended to understand diffusion of influence, or any other…
Percolation in systems made up of randomly placed impermeable grains is often examined in the context of system spanning clusters of connected solids forming above a relatively low critical grain density $\rho_{c1}$ or networks of…
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…
Computing the grain boundary (GB) counterparts to bulk phase diagrams represents an emerging research direction. Using a classical embrittlement model system Ga-doped Al alloy, this study demonstrates the feasibility of computing…
Spatial segregation in the wall normal direction is investigated in suspensions containing a binary mixture of Neo-Hookean capsules subjected to pressure driven flow in a planar slit. The two components of the binary mixture have unequal…
Colloidal particles that are confined to an interface such as the air-water interface are an example of a two-dimensional fluid. Such dispersions have been observed to spontaneously form cluster and stripe morphologies in certain systems…
Molecular segregation in methanol-water mixtures is studied across a wide concentration range as a function of temperature and pressure. Cluster distributions obtained from both neutron diffraction and molecular dynamics simulations point…
Mixing two chemical elements at the surface of a substrate is known to produce rich phase diagrams of surface alloys. Here, we extend the concept of surface alloying to the case where the two constituent elements are not both atoms, but…