Abstract: The present paper gives a review of results of recent studies investigating the fundamentals of the martensitic and related phase transformations in Ni-Al. For the former case, the emphasis will be on the microstructure of martensite plates. The latter include the metastable Ni2Al omega-like and stable Ni5Al3 bainitic phases. These phases will be discussed in view of their atomic structure, nucleation, growth and effect on the martensitic transformation. A separate chapter will deal with precursor effects.

Abstract: Neodymium nickelate thin films have been prepared on NdGaO3 substrates by RF magnetron sputtering and post-annealing treatment under oxygen pressure. Transport properties are found to depend strongly on film thickness. Thick films show transport properties close to bulk ceramics, while very thin films exhibit a large transition from metal to insulator which occurs over a wide temperature range with high resistivity. Structure and surface morphology of the films have been investigated by Transmission Electron Microscopy (TEM) and Atomic Force Microscopy (AFM). Thin films (approximate to17 nm) grow heteroepitaxially, while thicker films (approximate to73 nm) show a granular structure. The thinnest sample suggests a symmetry change induced by the epitaxial strain of the substrate. This paper discusses the relationship between microstructure and transport properties.

Abstract: Indicator-based monitoring tools are frequently applied for sustainability assessments, also in agriculture. However, many indicators focus on a rather restricted number of sustainability aspects such as economy or ecology. Moreover the choice of the indicator is rarely explained. The aim of our study was to develop an indicator-based monitoring tool for integrated farm sustainability – i.e. taking into account economic and ecological and social aspects – based on a supported vision of sustainable agriculture and using a set of relevant indicators. Hereby, specific attention was paid to aspects of communication and user-friendliness. Four methodological steps were considered: (i) translating the major principles of a supported vision of sustainable Flemish agriculture into concrete and relevant themes; (ii) designing indicators to monitor progress towards sustainability for each of those themes; (iii) aggregating the indicators into an integrated farm sustainability monitoring tool and (iv) applying the monitoring tool on a practical farm, as a first attempt at end-use validation. Stakeholder participation and expert consulting played an important part in each of these methodological steps. As a case study, the methodology was applied to Flemish dairy farms. As a result, we developed MOTIFS, a user-friendly and strongly communicative indicator-based monitoring tool that allows the measurement of progress towards integrated sustainable dairy farming systems and fits within a well-founded methodological framework. MOTIFS is based on the equality of the economic, ecological and social sustainability dimensions, and this equality is inherently built into the system. Through the applied methodology, we founded the selected themes and indicators and we avoided using indicators that are not relevant to the problem at hand.

Abstract: Oligomerized [Cu-O-Cu] species are reported to be efficient in promoting plasma catalytic one-step steam reforming of methane to methanol and hydrogen, achieving 6.8% CH4 conversion and 73.1% CH3OH selectivity without CO2.

Abstract: Two-dimensional materials (2DMs) continue to attract a lot of attention, particularly for their extreme flexibility and superior thermal properties. Molecular dynamics simulations are among the most powerful methods for computing these properties, but their reliability depends on the accuracy of interatomic interactions. While first principles approaches provide the most accurate description of interatomic forces, they are computationally expensive. In contrast, classical force fields are computationally efficient, but have limited accuracy in interatomic force description. Machine learning interatomic potentials, such as Gaussian Approximation Potentials, trained on density functional theory (DFT) calculations offer a compromise by providing both accurate estimation and computational efficiency. In this work, we present a systematic procedure to develop Gaussian approximation potentials for selected 2DMs, graphene, buckled silicene, and h-XN (X = B, Al, and Ga, as binary compounds) structures. We validate our approach through calculations that require various levels of accuracy in interatomic interactions. The calculated phonon dispersion curves and lattice thermal conductivity, obtained through harmonic and anharmonic force constants (including fourth order) are in excellent agreement with DFT results. HIPHIVE calculations, in which the generated GAP potentials were used to compute higher-order force constants instead of DFT, demonstrated the first-principles level accuracy of the potentials for interatomic force description. Molecular dynamics simulations based on phonon density of states calculations, which agree closely with DFT-based calculations, also show the success of the generated potentials in high-temperature simulations.