相关论文: Gyroidal nanoporous carbons - Adsorption and separ…

Atom controlled sub-nanometer MoS$_2$ pores have been recently fabricated. Oxidative environments are of particular interest for MoS$_2$ applications in electronics, sensing and energy storage. In this work we carried out first-principles…

Carbon nanoribbons (CNRs) are graphene (planar) structures with large aspect ratio. Carbon nanobelts (CNBs) are small graphene nanoribbons rolled up into spiral-like structures, i. e., carbon nanoscrolls (CNSs) with large aspect ratio. In…

Two-dimensional crystals with angstrom-scale pores are widely considered as candidates for a next generation of molecular separation technologies aiming to provide extreme, exponentially large selectivity combined with high flow rates. No…

Nuclear magnetic resonance (NMR) diffusion measurements are widely used to derive parameters indirectly related to the microstructure of biological tissues and porous media. However, a direct imaging of cell or pore shapes and sizes would…

Nanocomposites enable us to tune parameters that are crucial for use of such materials for neutron-optics applications such as diffraction gratings by careful choice of properties such as species (isotope) and concentration of contained…

Granular materials segregate spontaneously due to differences in particle size, shape, density and flow behaviour. In this paper we experimentally investigate density-difference-driven segregation for a range of density ratios and a range…

Bottom-up coarse-grained (CG) modeling expands the spatial and temporal scales of molecular simulation by seeking a reduced, thermodynamically consistent representation of an atomistic model. Developments in CG theory have largely focused…

We study the kinetics of absorption of water in portland cement mortars added with 60, 70 and 80% of granulated blast furnace slag (GGBS or Slag) cured in water and at open air and preheating at 50 and 100 C.A mathematical model is…

We use parametrized linear combination of atomic orbitals calculations to determine the stability, optimum geometry and electronic properties of nanometer-sized capped graphitic cones, called ``nano-horns''. Different nano-horn morphologies…

Carbon dioxide (CO2) trapping in capillary networks of reservoir rocks is a pathway to long-term geological storage. At pore scale, the CO2 trapping potential depends on injection pressure, temperature, and the rock's interaction with the…

A version of the Gaussian self-consistent (GSC) method, which avoids the use of the Edwards' virial expansion, is presented. Instead, the mean energy is evaluated directly via a convolution of the attractive part of the pair-wise non-bonded…

Graphene nanoribbons (GNRs) are promising two-dimensional materials with various technological applications, in particular for the armchair GNR families that have a semiconductor character. Recently, methods that allowed for the control of…

This work is aimed at understanding the basic principles of adsorption process in great details as adsorptive separation process has broad applications in the industry. To this end, a simple mathematical model has been used to describe…

Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can…

The challenge of synthesizing graphene nanoribbons (GNRs) with atomic precision is currently being pursued along a one-way road, based on the synthesis of adequate molecular precursors that react in predefined ways through self-assembly…

Motivated by the puzzle of sorption hysteresis in Portland cement concrete or cement paste, we develop in Part II of this study a general theory of vapor sorption and desorption from nanoporous solids, which attributes hysteresis to…

Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…

Globular Clusters (GCs) provide valuable insight into the properties of their host galaxies' dark matter halos. Using N-body simulations incorporating semianalytic dynamical friction and GC-GC merger prescriptions, we study the evolution of…

Carbon-supported nanoparticles have been used widely as efficient catalysts due to their enhanced surface-to-volume ratio. To investigate their structure-property relationships, acquiring 3D elemental distribution is highly required. Here,…

General circulation models (GCMs) typically have a grid size of 25--200 km. Parametrizations are used to represent diabatic processes such as radiative transfer and cloud microphysics and account for sub-grid-scale motions and variability.…