相关论文: Structural Flyby Characterization of Nanoporosity
Spatial confinement in nanoporous media affects the structure, thermodynamics and mobility of molecular soft matter often markedly. This article reviews thermodynamic equilibrium phenomena, such as physisorption, capillary condensation,…
The interacting lattice gas model is used to simulate fluid flow through an open percolating porous medium with the fluid entering at the source-end and leaving from the opposite end. The shape of the steady-state concentration profile and…
This work proposes an investigation on the scaling of the structural strength of polymer/graphene nanocomposites. To this end, fracture tests on geometrically scaled Single Edge Notch Bending (SENB) specimens with varying contents of…
The problem of determining the porous silicon (PSi) optical constants, thickness, porosity, and surface quality using just reflectance data is board employing evolutionary algorithms. The reflectance measurements were carried out of PSi…
Many countries are suffering from severe air pollution. Understanding how different air pollutants accumulate and propagate is critical to making relevant public policies. In this paper, we use urban big data (air quality data and…
The link between changes in the material crystal structure and its mechanical, electronic, magnetic, and optical functionalities - known as the structure-property relationship - is the cornerstone of the contemporary materials science…
At dry and clean material junctions of rigid materials the corrugation of the sliding energy landscape is dominated by variations of Pauli repulsions. These occur when electron clouds centered around atoms in adjacent layers overlap as they…
Two-dimensional simulations are used to explore topological transitions that occur during the formation of films grown from grains that are seeded on substrates. This is done for a relatively large range of the initial value $\Phi_s$ of the…
A method for quantitative analysis of local pattern strength and defects in surface self-assembly imaging is presented and applied to images of stripe and hexagonal ordered domains. The presented method uses "shapelet" functions which were…
Active Brownian particles (ABPs) are termed out to be a successful way of modeling the moving microorganism on the substrate. In recent studies, it is shown that such organisms can sense the characteristics of the substrate. Motivated by…
Carbon nanoscroll is a unique topologically open configuration of graphene nanoribbon possessing outstanding properties and application perspectives due to its morphology. However molecular dynamics study of nanoscrolls with more than a few…
We introduce structural heterogeneity, a new topological characteristic for semi-ordered materials that captures their degree of organisation at a mesoscopic level and tracks their time-evolution, ultimately detecting the order-disorder…
Plasma profiling time of flight mass spectrometry (PP-TOFMS) has recently gained interest, as it enables the elemental profiling of semiconductor structures with high depth resolution in short acquisition times. As recently shown by Tempez…
Acoustic vibrations of nanoparticles made of materials with anisotropic elasticity and nanoparticles with non-spherical shapes are theoretically investigated using a homogeneous continuum model. Cubic, hexagonal and tetragonal symmetries of…
Spatially nonuniform strain is important for engineering the pseudomagnetic field and band structure of graphene. Despite the wide interest in strain engineering, there is still a lack of control on device-compatible strain patterns due to…
In this paper, the inherent gradient flow structures of thermo-poro-visco-elastic processes in porous media are examined for the first time. In the first part, a modelling framework is introduced aiming for describing such processes as…
Nanostructured surfaces usually exhibit complicated morphologies that cannot be described in terms of Euclidean geometry. Simultaneously, they do not constitute fully random noise fields to be characterized by simple stochastics and…
Amorphous silicon (a-Si) models are analyzed for structural, electronic and vibrational characteristics. Several models of various sizes have been computationally fabricated for this analysis. It is shown that a recently developed…
Nanoporous materials hold promise for diverse sustainable applications, yet their vast chemical space poses challenges for efficient design. Machine learning offers a compelling pathway to accelerate the exploration, but existing models…
The structural features of polystyrene brushes grafted on spherical silica nanoparticles immersed in polystyrene are investigated by means of a Monte Carlo methodology based on polymer mean field theory. The nanoparticle radii (either 8 nm…