Related papers: Sliding Over Graphene Grain Boundaries: A Step Tow…
We describe an optical scattering study of grain boundary premelting in water ice. Ubiquitous long ranged attractive polarization forces act to suppress grain boundary melting whereas repulsive forces originating in screened Coulomb…
It is shown that mechanical alignment of grains can be efficient for grains rotating suprathermally, i.e. with kinetic energy substantially exceeding $k$ (the Boltzmann constant) over any temperature in the system. The paper studies…
As undesirable defects, grain boundaries (GBs) are widespread in epitaxial graphene using existing growth methods on metal substrates. Employing density functional theory calculations, we first identify that the misorientations of carbon…
Grain boundary roughness can affect electronic and mechanical properties of two-dimensional materials. This roughness depends crucially on the growth process by which the two-dimensional material is formed. To investigate the key mechanisms…
By large-scale quantum Monte Carlo simulations we show that grain boundaries in Helium-4 crystals are generically superfluid at low temperature, with a transition temperature of the order of ~0.5K at the melting pressure; insulating grain…
Self-superlubricity is a highly anticipated phenomenon where certain solid pairs in contact, without lubricant, exhibit zero wear and virtually null static friction and coefficient of friction (CoF). We present the first experimental…
Granular materials, composed of discrete solid grains, can be modeled as simple mechanical systems. However, these materials can undergo spontaneous slow deformation, or creep, even under small forces and while in apparent mechanical…
There are still debates regarding the mechanisms that lead to hot cracking in parts build by additive manufacturing (AM) of non-weldable Ni-based superalloys. This lack of in-depth understanding of the root causes of hot cracking is an…
The complicated dynamics of the contact line of a moving droplet on a solid substrate often hamper the efficient modeling of microfluidic systems. In particular, the selection of the effective boundary conditions, specifying the contact…
Flexoelectricity is a type of ubiquitous and prominent electromechanical coupling, pertaining to the response of electrical polarization to mechanical strain gradients while not restricted to the symmetry of materials. However, large…
A discrete model and the regular solution approximation are applied to describe the effect of grain boundary motion on grain boundary phase transformations in a binary alloy. The model predicts all thermodynamic properties of the grain…
Extended defects, including exposed surfaces and grain boundaries, are critical to the properties of polycrystalline solid electrolytes in all-solid-state batteries (ASSBs). These defects can significantly alter the mechanical and…
Solids at incommensurate contact display low-friction, 'superlubric', sliding. For graphene flakes on a graphite surface, superlubric sliding is only temporary due to rotation of the flakes from incommensurate to commensurate contact with…
A systematics of grain boundary (GB) segregation transitions and critical phenomena has been derived to expand the classical GB segregation theory. Using twist GBs as an example, this study uncovers when GB layering vs. prewetting…
Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic…
Grain boundaries can exist as different grain boundary phases (also called complexions) with individual atomic structures. The thermodynamics of these defect phases in high-angle grain boundaries were studied mostly with atomistic and phase…
Nanomechanical devices can operate at much higher speeds than their macroscopic analogues, due to low inertia. For example, peak speeds >100m/s have been predicted for carbon nanotube devices. This stimulates our interest in the…
We have used a multi-scale physics-based model to predict how the grain size and different grain boundary morphologies of polycrystalline graphene will impact the performance metrics of graphene field-effect transistors. We show that…
The formation of helium cavities in coarse-grained materials produces hardening proportional to the number density and size of the cavities and due to the interaction of dislocations with intragranular helium defects. In nanostructured…
We have developed a new global optimization method for the determination of interface structure based on the differential evolution algorithm. Here, we applied this method to search for the ground state atomic structures of the grain…