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The formation of regular patterns is a common feature of many solidification processes involving cast materials. We describe here how regular patterns can be obtained in porous alumina by controlling the freezing of ceramic slurries…
Pt-Al and Pt-Y-Al thin film electrodes on yttria-stabilised zirconia electrolytes were prepared by dealloying of co-sputtered Pt-Al or Pt-Y-Al films. The selective dissolution of Al from the Pt-alloy compound causes the formation of a…
Micro/nanoporous membranes have been used extensively in biological and medical applications associated with filtration, particle sorting, cell separation, and real-time sensing. Expanding its applications to microfluidics offers several…
A simple molecular thermodynamic approach is applied to the study of the adsorption of gases of chain molecules on solid surfaces. We use a model based on the Statistical Associating Fluid Theory for Variable Range (SAFT-VR) potentials [A.…
Al NPs are synthesized by laser ablation of a bulk Al target immersed into liquid ethanol saturated with hydrogen at atmospheric pressure. The nanoparticles possess a well-distinguished core-shell structure. High Resolution Transmission…
Nanoporous gold (NPG) with bi-continuous ligaments and pores structure has promising potential in functional applications, among which one prominent example is fuel cell electrocatalyst. However, current application of NPG is mostly limited…
A fluid in a pore can form diverse heterogeneous structures. We combine a capillary description with the cubic-plus-association equation of state to study the thermodynamic stability of droplets, bubbles and films of water at 358 K in a…
Pore network modelling has traditionally been used to study displacement processes in idealized porous media related to geological flows, with applications ranging from groundwater hydrology to enhanced oil recovery. Very recently, pore…
Recently, laser-assisted chemical vapor deposition was used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC). MAC is a pure carbon structure composed of randomly distributed five, six, seven, and eight…
We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is…
In this paper, the self-assembly of condensed droplets on smooth and constrained surfaces under saturated vapor atmosphere of ethanol and methanol binary system is reported. Hexagonally ordered array of pores are obtained on smooth surfaces…
Liquid argon is an excellent medium for detecting particles, given its yields and transport properties of light and charge. The technology of liquid argon time projection chambers has reached its full maturity after four decades of…
Hydrogel-based soft actuators can operate in sensitive environments, bridging the gap of rigid machines interacting with soft matter. However, while stimuli-responsive hydrogels can undergo extreme reversible volume changes of up to ~90%,…
Understanding the interactions of a solute with its environment is of fundamental importance in chemistry and biology. In this work, we propose a deep neural network architecture for atom type embeddings in its molecular context and…
The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with the method of Wooten, Winer, and Weaire. The…
A 3 nm coronene coating and a 4 nm amorphous carbon coating with uniform shell-core encapsulation structure for nanosized boron (B) powders are formed by a simple process, where coronene is directly mixing with boron particles without a…
Diatomic nitrogen is an archetypal molecular system known for its exceptional stability and complex behavior at high pressures and temperatures, including rich solid polymorphism, formation of energetic states, and an insulator-to-metal…
We comparatively analyzed imbibition of polystyrene (PS) into two complementary pore models having pore diameters of about 380 nm and hydroxyl-terminated inorganic-oxidic pore walls, controlled porous glass (CPG) and self-ordered porous…
We use a coarse-grained molecular dynamics simulation to investigate the interaction between neutral or charged nanoparticles (NPs) and a vesicle consisting of neutral and negatively charged lipids. We focus on the interaction strengths of…
Metal additive manufacturing has gained extensive attention from research institutes and companies to fabricate intricate parts and functionally graded materials. However, the porosity of the as-built part deteriorates the mechanical…