Related papers: CALPHAD-based modelling of the temperature-composi…
We have studied thermodynamics of the Mg-B system with the modeling technique CALPHAD using a computerized optimization procedure. Temperature-composition, pressure-composition, and pressure-temperature phase diagrams under different…
This paper presents the first thermodynamic assessment of binary and pseudo-binary phase diagrams in the Ba--La--S and Ga--La--S systems by means of the CALPHAD method. Experimental phase diagram equilibrium data and thermodynamic…
A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…
In numerous solution-processed thin films, a complex morphology resulting from liquid-liquid phase separation (LLPS) or from polycrystallization arises during the drying or subsequent processing steps. The morphology has a strong influence…
Phase fractions, compositions and energies of the stable phases as a function of macroscopic composition, temperature, and pressure (X-T-P) are the principle correlations needed for the design of new materials and improvement of existing…
We study how the substrate temperature influences the structural properties of carbon films deposited by PVD (physical vapor deposition) techniques. We adapted a heating system inside the deposition chamber, with temperatures up to…
Physical vapor high-temperature deposition of CdTe thin films is one of the main methods for preparing high-efficiency CdTe solar cells, but high-temperature deposition also has an impact on the internal structure of the film. The…
Mercury-Sensitized Photo-Assisted Chemical Vapor Deposition (Hg-Photo-CVD) technique opens new possibilities for reducing thin film growth temperature and producing novel semiconductor materials suitable for the future generation of high…
We propose an experimental approach, by which thin films of copper polyphthalocyanine (CuPPC) can be directly synthesized in a chemical vapor deposition (CVD) set-up at mild temperature (420 {\deg}C). High polymerization degree and high…
Physical vapor deposition (PVD) is widely used in manufacturing ultra-thin layers of amorphous organic solids. Here, we demonstrate that these films exhibit a sharp transition from glassy solid to liquid-like behavior with thickness below…
Many-body dissipative particle dynamics (MDPD) is a mesoscale method capable of reproducing liquid-vapour coexistence in a single simulation. Despite having been introduced more than a decade ago, this method remains broadly unexplored and,…
The structure, and electrical, mechanical and optical properties of few-layer graphene (FLG) synthesized by chemical vapor deposition (CVD) on a Ni coated substrate were studied. Atomic resolution transmission electron microscope (TEM)…
The grain boundary (GB) microchemistry and precipitation behaviour in high-strength Al-Zn-Mg-Cu alloys has an important influence on their mechanical and electrochemical properties. Simulation of the GB segregation, precipitation, and…
We aim to investigate relationships between select processing parameters or inputs (composition, temperature, annealing time) and two structural parameters, specifically, the mean radius and volume fraction of the Fe$_3$Si nanocrystals. To…
Current methods of chemical vapor deposition (CVD) of graphene on copper are complicated by multiple processing steps and by high temperatures required in both preparing the copper and inducing subsequent film growth. Here we demonstrate a…
Mercury-Sensitized Photo-Assisted Chemical Vapor Deposition (Hg-Photo-CVD) technique opens new possibilities for reducing thin film growth temperature and producing novel semiconductor materials suitable for the future generation of high…
The performance of solution-processed solar cells strongly depends on the geometrical structure and roughness of the photovoltaic layers formed during film drying. During the drying process, the interplay of crystallization and…
The Hf-O system has been modeled by combining existing experimental data and first-principles calculations results through the CALPHAD approach. Special quasirandom structures of $\alpha$ and $\beta$ hafnium were generated to calculate the…
A Hybrid Physical-Chemical Vapour Deposition (HPCVD) system consisting of separately controlled Mg-source heater and substrate heater is used to grow MgB2 thin films and thick films at various temperatures. We are able to grow…
We have investigated the thermodynamic and kinetic barriers involved in the synthesis of MgB2 films. This work refines our initial conjectures predicting optimal MgB2 thin film growth conditions as a consequence of the unusually large…