Diffusion-controlled anisotropic growth of stable and metastable crystal polymorphs in the phase-field crystal model

The official published version of the article can be accessed from the link below - Copyright @ 2009 APSWe use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional nucleation. The predicted growth anisotropies are discussed in relation with results from experiment and atomistic simulations. We also demonstrate that varying the lattice constant of a simple cubic substrate, one can tune the epitaxially growing body-centered tetragonal structure between bcc and fcc, and observe a Mullins-Sekerka-Asaro-Tiller-Grinfeld-type instability.This work has been supported by the EU FP7 Collaborative Project ENSEMBLE under Grant Agreement NMP4-SL-2008-213669, the Hungarian Academy of Sciences under contract OTKA-K-62588, the Academy of Finland via its COMP CoE grant, and by Tekes via its MASIT33 project. A. J. acknowledges financial support from the Finnish Academy of Science and Letters. T. P. acknowledges support from the Bolyai Ja´nos Grant

Biomass potential assessment for locating biorefinery plant in Hungary

To find a suitable site for a 150,000 metric ton dry material per year (t dm/yr) input capacity biorefinery plant in Hungary is a challenging task. Not only biomass potentials have to be assessed, competing uses, sustainability aspects, public opinion and future threats to feedstock availability should be also taken into account. As a result of our calculations, currently there is enough feedstock available for the targeted input capacity to operate in an ecologically sustainable way. However, several factors may threaten the future of feedstock availability. In the long run enhanced price competition is anticipated for biomass among biorefinery, livestock keeping, timber industry and biomass based renewable energy production. The majority of stakeholders accept in general biorefinery as a promising solution for substituting fossil based plastics, still local interests give priority to a balanced agricultural production including higher shares of husbandry

Recent Developments in Modeling Heteroepitaxy/Heterogeneous Nucleation by Dynamical Density Functional Theory

Crystallization of supersaturated liquids usually starts by epitaxial growth or by heterogeneous nucleation on foreign surfaces. Herein, we review recent advances made in modeling heteroepitaxy and heterogeneous nucleation on flat/modulated surfaces and nanoparticles within the framework of a simple dynamical density functional theory, known as the phase-field crystal model. It will be shown that the contact angle and the nucleation barrier are nonmonotonous functions of the lattice mismatch between the substrate and the crystalline phase. In continuous cooling studies for substrates with lattice mismatch, we recover qualitatively the Matthews–Blakeslee mechanism of stress release via the misfit dislocations. The simulations performed for particle-induced freezing will be confronted with recent analytical results, exploring thus the validity range of the latter. It will be demonstrated that time-dependent studies are essential, as investigations based on equilibrium properties often cannot identify the preferred nucleation pathways. Modeling of these phenomena is essential for designing materials on the basis of controlled nucleation and/or nano-patterning

Phase-field modeling of eutectic structures on the nanoscale: the effect of anisotropy

This is a post-peer-review, pre-copyedit version of an article published in Journal of Materials Science. The final authenticated version is available online at: https://doi.org/10.1007/s10853-017-0853-8A simple phase-field model is used to address anisotropic eutectic freezing on the nanoscale in two (2D) and three dimensions (3D). Comparing parameter-free simulations with experiments, it is demonstrated that the employed model can be made quantitative for Ag-Cu. Next, we explore the effect of material properties, and the conditions of freezing on the eutectic pattern. We find that the anisotropies of kinetic coefficient and the interfacial free energies (solid-liquid and solid-solid), the crystal misorientation relative to pulling, the lateral temperature gradient, play essential roles in determining the eutectic pattern. Finally, we explore eutectic morphologies, which form when one of the solid phases are faceted, and investigate cases, in which the kinetic anisotropy for the two solid phases are drastically different

Drawing up farm management plans for agri-environmental schemes

The role of and the approach to the countryside and the environment has undergone dramatic changes in recent decades as relations between sustainable, multi-functional agriculture and the need for preserving natural resources were realised. On the other hand, to be successful in a commercial environment farmers need financial planning and control. However, at this stage of privatisation process and development of rationalised farm businesses within Hungary, there exists a large number of small family-managed holdings where business and production skills are at an elementary level. Moreover, application for agricultural state support and planned subsidy priorities of agro-environmental programs will be linked to the condition of having clear business and management plan. These facts represent a growing demand for establishing of rural extension services and an increased need for sound farm business planning. The objective of the research is to elaborate a computerised planning methodology that help farmers not only to exercise effective management controls over the financial aspects of their business through proper planning and record keeping based on calculations of up-to-date information but to encourage the introduction and use of farming practices compatible with the increasing demands of protection of the environment and natural resources (multifunctional agriculture) as well. The methodology is suitable for producing sustainability indices in order to characterise the environment. Well-known and widely applied methods, such as calculation of gross margin, internal rate of return and net present value liked to issues which were previously little focused on, such as manure production and use, or studying the N cycle within the farm. The methodology is tested in selected case study areas and it is investigated what sort of changes are required on farm level to achieve environmental and economic sustainability and how should farm-level based systems be designed to prevent increased negative externalities of agricultural production with respect to Hungarian circumstances