Related papers: Evaluating Compression and Nanoindentation in FCC …
Modulating liquid-to-solid transitions and the resulting crystalline structure for tailored properties is much desired. Colloidal systems are exemplary to this end, but the fundamental knowledge gaps in relating the influence of…
Motivated in part by experiments performed by M.H. Pan et al. (nanoletters, v.5, p 83, 2005), we have undertaken a theoretical study of the the magnetic properties of two-monolayer thick Co nanoplatelets with an equilateral triangular…
A novel atomistic-continuum method (ACM) based on finite element method (FEM) is proposed to numerically simulate the nano-scaled Poisson's ratio and Young's modulus effect of Lithium (Li) body-centered cubic (BCC) structure. The potential…
The prediction of atomistic fracture mechanisms in body-centred cubic (bcc) iron is essential for understanding its semi-brittle nature. Existing atomistic simulations of the crack-tip deformation mechanisms under mode-I loading based on…
According to classical Miedema theory, reducing crystals to the order of nanometer sizes might greatly modulate the mixing enthalpy of elements, thus enabling the invention of a lot of new bulk-immiscible alloys. Although numerous alloys…
Fracture behavior in nickel-titanium (NiTi) shape memory alloys (SMAs) subjected to mode-I, isothermal loading is studied using finite element analysis (FEA). Compact tension (CT) SMA specimen is modeled in Abaqus finite element suite and…
Background: Microscopic description of the projectile, based on an effective NN interaction, in a microscopic CDCC (MCDCC) model [PRL 111, 082701 (2013)] has been successfully applied to the 7Li+208Pb scattering. Purpose: The MCDCC method…
The mechanical properties of the stoichiometric B2 $\beta$-phase of NiAl are well established, however the effect of off-stoichiometric composition on the fracture toughness has not yet been systematically studied over the entire…
Stacking faults (SF) are important structural defects that play an essential role in the deformation of engineering alloys. However, direct observation of stacking faults at the atomic scale can be challenging. Here, we use the analytical…
We proposed a new way, adding intertube atoms, to enhance interfacial thermal conductance (ITC) between SiC-carbon nanotube (CNT) array structure. Non-equilibrium molecular dynamics method was used to study the ITC. The results show that…
When considering grinding of minerals, scaling effect induces competition between plastic deformation and fracture in brittle solids. The competition can be sketched by a critical size of the material, which characterizes the…
The effect of substrate was studied using nanoindentation on thin films. Soft films on hard substrate showed more pile up than usual which was attributed to the dislocation pile up at the film substrate interface. The effect of tip blunting…
Predicting the dramatic changes in material properties caused by irradiation damage is key for the design of future nuclear fission and fusion reactors. Self-ion implantation is an attractive tool for mimicking the effects of neutron…
Screw dislocations in bcc metals display non-planar cores at zero temperature which result in high lattice friction and thermally activated strain rate behavior. In bcc W, electronic structure molecular statics calculations reveal a…
Most monolithic brittle materials are vulnerable to the failure by cracks because of a lack of intrinsic toughening mechanisms, such as the plasticity in the vicinity of the crack front. As a result, most of the efforts to mitigate the…
The core structure of dislocations is critical to their mobility, cross slip, and other plastic behaviors. Atomistic simulation of the core structure is limited by the size of first-principles density functional theory (DFT) calculation and…
In this study, the crack propagation of the pre-cracked mono-crystal nickel with the voids and inclusions has been investigated by molecular dynamics simulations. Different sizes of voids, inclusions and materials of inclusions are used to…
Using molecular-dynamics simulation and finite-element modelling, we simulate nanoindentation into the three principal surfaces -- the (100), (110) and (111) surface -- of Cu and Al. In the elastic regime, the simulation data agree fairly…
Manipulation of metal nanoparticles using atomic force microscope is a promising new technique for probing tribological properties at the nanoscale. In spite of some advancements in experimental investigations, there is no unambiguous…
In order to study the performance of interatomic potentials and their reliability at higher pressures, the phase diagram of four different embedded-atom type potential models of iron is compared. The calculations were done by the nested…