A two-dimensional (2D) Zn(II) metal-organic framework with flexible aryl ether linkers and water molecules exposed to the pores was prepared. The supramolecular three-dimensional (3D) network is generated by the presence of extensive π-π contacts, which could be responsible for gas uptake. The water molecules and oxygen atoms from the flexible linkers create a polar environment within the integ...

We present a Bayesian inversion method for the joint inference of high-dimensional multiGaussian hydraulic conductivity fields and associated geostatistical parameters from indirect hydrological data. We combine Gaussian process generation via circulant embedding to decouple the variogram from grid cell specific values, with dimensionality reduction by interpolation to enable Markov chain Monte...

We theoretically investigate the phonon scattering by vacancies, including the impacts of missing mass and linkages (τ(V)(-1)) and the variation of the force constant of bonds associated with vacancies (τ(A)(-1)) by the bond-order-length-strength correlation mechanism. We find that in bulk crystals, the phonon scattering rate due to change of force constant τ(A)(-1) is about three orders of mag...

This article presents the first systematic study of the effect of Relative Humidity (RH) on the water content and hydroxide ion conductivity of quaternary ammonium-based Alkaline Anion-Exchange Membranes (AAEMs). These AAEMs have been developed specifically for application in alkaline membrane fuel cells, where conductivities of >0.01 S cm(-1) are mandatory. When fully hydrated, an ETFE-based r...

Low-dimensional semiconductors are considered promising candidates for thermoelectric applications with enhanced performance because of a drastic reduction in their thermal conductivity, κl, and possibilities of enhanced power factors. This is also the case for traditionally poor thermoelectric materials such as silicon. This work presents atomistic simulations for the electronic, thermal, and ...

The inverse condictivity problem with many boundary measurements consists of recovery of conductivity coefficient a (principal part) of an elliptic equation in a domain Ω ⊂ R, n = 2, 3 from the Neumann data given for all Dirichlet data (Dirichlet-to-Neumann map). Calderon [5] proposed the idea of using complex exponential solutions to demonstrate uniqueness in the linearized inverse condictivit...

It is suggested that low dimensionality can improve the thermoelectric (TE) power factor of a device, offering an enhancement of the ZT figure of merit. In this paper, the atomistic sp3d5s∗-spin-orbit-coupled tight-binding model and the linearized Boltzmann transport theory is applied to calculate the room-temperature electrical conductivity, the Seebeck coefficient, and the power factor of nar...

[1] We describe the upscaled groundwater flow and solute transport characteristics of two-dimensional hydraulic conductivity fields with three fundamentally different spatial textures and consider the conditions under which physical mobile–immobile domain mass transfer occurs in these fields. All three fields have near-identical lognormal univariate conductivity distributions, as well as near-i...

We report measurements and modeling of thermal conductivity in periodic three-dimensional dielectric nanostructures, silicon inverse opals. Such structures represent a three-dimensional "phononic crystal" but affect heat flow instead of acoustics. Employing the Stober method, we fabricate high quality silica opal templates that on filling with amorphous silicon, etching and recrystallizing prod...

Fluids with higher thermal conductivities are necessary for cooling applications especially in micro-electronic devices. The low thermal conductivity of conventional heat transfer fluids remains a limitation in improving the performance of micro-electronic cooling systems. Metallic and metal oxide particles possess significantly higher thermal conductivity than those of the conventional heat tr...