Related papers: Observing and modeling the sequential pairwise rea…
Colloidal photonic crystals display peculiar optical properties which make them particularly suitable for application in different fields. However, the low packing fraction of the targeted structures usually poses a real challenge in the…
As the number of theoretically predicted materials continues to grow, it becomes increasingly important to assess not only their thermodynamic stability but also their kinetic viability under realistic synthesis conditions. In this study,…
We present a detailed derivation and thin interface analysis of a phase-field model that can accurately simulate microstructural pattern formation for low-speed directional solidification of a dilute binary alloy. This advance with respect…
Colloidal fluids can exhibit complex phase behavior and determining phase diagrams via experiments or computer simulations can be laborious. We demonstrate that the dispersion relation $\omega(k)$, obtained from dynamical density functional…
We use a combination of dynamical mean-field model calculations and LDA+U material specific calculations to investigate the low temperature phase transition in the compounds from the (Pr$_{1-y}$R$_y$)$_x$Ca$_{1-x}$CoO$_3$ (R=Nd, Sm, Eu, Gd,…
This thesis summarises my scientific works in the field of thermo-chemical modelling of planet-forming discs since 2009, in particular the development of the Protoplanetary Disc Model (ProDiMo). By combining chemical rate networks with…
The topic of the present study is combining a dynamic model of a protoplanetary disk with the computations of radiation transfer for obtaining synthetic spectra and disk images suitable for immediate comparison of the model with…
We construct general models for holographic superconductivity parametrized by three couplings which are functions of a real scalar field and show that under general assumptions they describe superconducting phase transitions. While some…
Formation of the intermediate phase patterns in the thin-film co-deposition process is simulated using the Stochastic Kinetic Mean-Field method and Monte Carlo. Three basic morphologies of the 2D sections are distinguished: (1) spots…
Photonic sintering (PS) offers an ultra-fast, contact-free alternative to conventional sintering and has demonstrated its potential for enhancing the sinterability of acceptor-doped barium zirconate (BZY) ceramics. However, a central…
In this work we explore the compositions of non-stoichiometric intermediate phases formed by diffusion reactions: a mathematical framework is developed and tested against the specific case of Nb3Sn superconductors. In the first part, the…
The coupling-parameter method, whereby an extra particle is progressively coupled to the rest of the particles, is applied to the sticky-hard-sphere fluid to obtain its equation of state in the so-called chemical-potential route ($\mu$…
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…
(Abridged) Aims & Methods. A two-dimensional, semi-analytical model is presented that follows, for the first time, the chemical evolution from a collapsing molecular cloud (a pre-stellar core) to a protostar and circumstellar disk. The…
This work explores the differences between static and dynamically evolving physico-chemical models of pre-stellar cores. A 3D MHD model of a pre-stellar core embedded in a dynamic star-forming cloud is post-processed using sequentially dust…
A ubiquitous arrangement in nature is a free-flowing fluid coupled to a porous medium, for example a river or lake lying above a porous bed. Depending on the environmental conditions, thermal convection can occur and may be confined to the…
Experimental and modeling/simulation studies of phase equilibrium and growth morphologies of novel polymer-dispersed liquid crystal (PDLC) mixtures of PS (polystyrene) and liquid crystals that exhibit a direct isotropic/smectic-A (lamellar)…
Method(s) that can reliably predict phase evolution across thermodynamic parameter space, especially in complex systems are of critical significance in academia as well as in the manufacturing industry. In the present work, phase stability…
In this work, we develop a rapid reactive vapor transport technique to efficiently utilize limited isotopically pure precursors, particularly gaseous 18O2, and synthesize mm-scale, high-quality crystals within few-minute growth durations.…
Transition metal oxides have been extensively studied and utilized as efficient catalysts. However, the strongly correlated behavior which often results in intriguing emergent phenomena in these materials has been mostly overlooked in…