Related papers: In situ micropillar compression of an anisotropic …
Monolithic metal-organic frameworks (MOFs) represent a promising solution for the industrial implementation of this emerging class of multifunctional materials, due to their structural stability. When compared to MOF powders, monoliths…
Two-dimensional (2D) metal-organic frameworks (MOFs) hold immense potential for various applications due to their distinctive intrinsic properties compared to their 3D analogues. Herein, we designed in silico a highly stable…
We have theoretically investigated the elastic properties of three topologically identical zeolitic imidazolate frameworks: ZIF-4, ZIF-62 and TIF-4, by means of ab initio calculations. The ZIFs are a subset of metal organic frameworks…
We study the uniaxial compressive behavior of disordered colloidal free-standing micropillars composed of a bidisperse mixture of 3 and 6 um polystyrene particles. Mechanical annealing of confined pillars enables variation of the packing…
In this paper, compressive loading effects on the plasticity of Al-Cu alloy varying the crystal orientation of Al and alloying element (Cu) percentage are investigated using molecular dynamics approach. The alloying percentage of Cu are…
This paper unravels micromechanical aspects of metallic materials whose microstructure comprises grains of two or more phases. The local plastic response is determined by (i) the relative misorientation of the slip systems of individual…
Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical…
A robust $hp$-adaptive finite element framework is presented for the investigation of static cracks in materials characterized by complex, pointwise density variations. Within such heterogeneous media, the equilibrium equation governed by…
The mechanical properties of crystalline materials can be substantially modified under confinement. Such modified macroscopic properties are usually governed by the altered microstructures and internal stress fields. Here, we use a parallel…
Metal-organic frameworks (MOFs) are an attractive substrate for catalytic reactions due to the high area density of reaction sites and the ability to tailor an array of material attributes. This study focuses on a thermally stable…
It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the…
Metal organic framework (MOF) materials in general, and MOF-74 in particular, have promising properties for many technologically important processes. However, their instability under humid conditions severely restricts practical use. We…
Compression experiments are widely used to study the mechanical properties of materials at micro- and nanoscale. However, the conventional engineering stress measurement method used in these experiments neglects to account for the…
Heterogeneous materials exhibit anisotropy which is influenced by factors such as individual phase properties and microstructural configuration that form crucial descriptors of heterogeneity. A review of anisotropy indices proposed in the…
Strongly anisotropic geomaterials undergo fracture under compressive loading. This paper applies a phase-field fracture model to study this fracture process. While phase-field fracture models have several advantages, they provide unphysical…
We present a computational framework to explore the effect of microstructure and constituent properties upon the fracture toughness of fibre-reinforced polymer composites. To capture microscopic matrix cracking and fibre-matrix debonding,…
This study investigates the fracture behavior under both opening (Mode I) and in-plane sliding (Mode II) conditions for a semi-infinite crack in a rotating, spatially graded magnetoelastic orthotropic strip with combined horizontal and…
Recent years have seen a large increase in the number of reported framework materials, including the nowadays-ubiquitous metal-organic frameworks (MOFs). Many of these materials show flexibility and stimuli-responsiveness, i.e. their…
The effects of the crystalline symmetry on the magnetotransport properties in ferromagnetic alloys are being reexamined in recent years particularly due to the role of the anisotropic magnetoresistance on the electrical detection of…
Metal-organic frameworks (MOFs) are a specific class of hybrid, crystalline, nano-porous materials made of metal-ion-based nodes and organic linkers. Most of the studies on MOFs largely focused on porosity, chemical and structural…