相关论文: In situ micropillar compression of an anisotropic …
We performed ab initio calculations of the elastic constants of five flexible metal-organic frameworks: MIL-53(Al), MIL-53(Ga), MIL-47 and the square and lozenge structures of DMOF-1. Tensorial analysis of the elastic constants reveal a…
The compressive properties of metal-organic framework (MOF) crystals are not only crucial for their densification but also key in determining their performance in many applications. We herein investigated the mechanical responses of a…
Metal-organic frameworks (MOFs) combine high porosity with structural fragility, raising important questions about their mechanical stability. We develop a rigidity-based framework in which spring networks parameterized by UFF4MOF are used…
The properties of metal-organic frameworks (MOFs) are expected to be sensitive to external pressures because of their inherently flexible structures. Although pressure-driven structural transitions have been intensively studied, the…
By virtue of their open network structures and low densities, metal--organic frameworks (MOFs) are soft materials that exhibit elastic instabilities at low applied stresses. The conventional strategy for improving elastic stability is to…
The mechanical properties of metal-organic frameworks (MOFs) are of high fundamental and also practical relevance. A particularly intriguing technique for determining anisotropic elastic tensors is Brillouin scattering, which so far has…
Introducing hierarchical pore structure to microporous materials such as metal-organic frameworks (MOFs) can be beneficial for reactions where the rate of reaction is limited by low rates of diffusion or high pressure drop. This…
Microscale dynamic testing is vital to the understanding of material behavior at application relevant strain rates. However, despite two decades of intense micromechanics research, the testing of microscale metals has been largely limited…
We report a novel experimental methodology for in situ measurement of electrical resistivity changes in T2 copper during dynamic compression utilizing a split Hopkinson pressure bar. The effects of adiabatic temperature rise and specimen…
Liquid-metal infiltrated Cu30Mo70 (weigth percentage) is subjected to severe plastic deformation using high pressure torsion. The initially equiaxed dual phase structure is gradually transformed into a lamellar structure composed of…
Molecular dynamics simulations combined with periodic electronic structure calculations are performed to decipher structural, thermodynamical and dynamical properties of the interfaced vs. confined water adsorbed in hexagonal 1D channels of…
Metal-organic frameworks (MOFs) with ultra-small pores offer an optimal environment to effectively capture guest molecules such as CO2. Subtle local dynamics of their frameworks, either throughout reorientation of functional groups grafted…
The work investigates the failure modes of the microstructure of an irregular ceramic foam subjected to uniaxial compression loading. The foam material is manufactured using the direct foaming method and has polydispersed pores…
We propose a decomposition of constitutive relations into crack-driving and persistent portions, specifically designed for materials with anisotropic/orthotropic behavior in the phase field approach to fracture to account for the…
HKUST-1 is a metal-organic framework (MOF) which plays a significant role both in applicative and basic fields of research, thanks to its outstanding properties of adsorption and catalysis but also because it is a reference material for the…
Tungsten carbide cobalt hardmetals are commonly used as cutting tools subject to high operation temperature and pressures, where the mechanical performance of the tungsten carbide phase affects the wear and lifetime of the material. In this…
Using density functional theory (DFT), we investigate mechanical properties of a few 2D metal-organic frameworks (MOFs) and covalent-organic frameworks (COFs) having Dirac and flat bands. These porous materials have become a subject of…
When a two-dimensional material, adhered onto a compliant substrate, is subjected to compression it can undertake a buckling instability yielding to a periodic rippling. Interestingly, when black phosphorus flakes are compressed along the…
The synthesis of metal-organic frameworks (MOFs) in a monolithic morphology is a promising way to achieve the transition of this class of materials from academia to industrial applications. The sol-gel process has been widely employed to…
We develop a framework to describe collective buckling in metal-organic frameworks (MOFs). Starting from the microscopic structure of a single organic linker, we define a buckling coordinate governed by an effective double-well potential.…