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Stability of FeVO4-II under Pressure: A First-Principles Study

PRICILA BETBIRAI ROMERO VAZQUEZ SINHUE LOPEZ MORENO Daniel Errandonea (2022, [Artículo])

"In this work, we report first-principles calculations to study FeVO4 in the CrVO4-type (phase II) structure under pressure. Total-energy calculations were performed in order to analyze the structural parameters, the electronic, elastic, mechanical, and vibrational properties of FeVO4-II up to 9.6 GPa for the first time. We found a good agreement in the structural parameters with the experimental results available in the literature. The electronic structure analysis was complemented with results obtained from the Laplacian of the charge density at the bond critical points within the Quantum Theory of Atoms in Molecules methodology. Our findings from the elastic, mechanic, and vibrational properties were correlated to determine the elastic and dynamic stability of FeVO4-II under pressure. Calculations suggest that beyond the maximum pressure covered by our study, this phase could undergo a phase transition to a wolframite-type structure, such as in CrVO4 and InVO4."

FeVO4 under pressure CrVO4-type structure First-principles Mechanical properties Vibrational properties Electronic properties CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA FÍSICA FÍSICA DEL ESTADO SÓLIDO CRISTALOGRAFÍA CRISTALOGRAFÍA

Thermal and mechanical properties of PLA-based multiscale cellulosic biocomposites

MIGUEL ANGEL RUZ CRUZ Pedro Jesús Herrera Franco Emmanuel Alejandro Flores Johnson MARIA VERONICA MORENO CHULIM LUCIANO MIGUEL GALERA MANZANO Alex Valadez González (2022, [Artículo])

In this work polylactic acid (PLA) based multiscale cellulosic biocomposites were prepared with the aim to evaluate the effect of the incorporation of cellulose nanocrystals (CNCs) on the PLA biocomposites reinforced with cellulose microfibers (MFCs). For this, PLA composite materials reinforced with both MFCs and with a combination of MFCs and CNCs were prepared, while keeping the content of cellulosic reinforcements constant. The thermal and mechanical properties of these multiscale PLA biocomposites were characterized by thermogravimetry (TGA), differential scanning calorimetry (DSC), flexural mechanical and, dynamic mechanical (DMA) tests. Likewise, they were characterized by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The results show that the replacement of MFCs by CNCs in the 1–5% range appreciably modifies the thermal and mechanical properties of multiscale compounds. For example, they increase the thermal stability of the materials, modify the PLA crystallization process and play the role of adhesion promoters since the mechanical properties in flexure increase in the order of 40% and the storage modulus increases in the order of 35% at room temperature. Also, the addition of CNCs increases the relaxation temperature of the material from 50 to 60 °C, thereby expanding the temperature range for its use. © 2022 The Author(s)

MULTISCALE BIOCOMPOSITES CELLULOSE MICROFIBER CELLULOSE NANOCRYSTALS HIERARCHICAL STRUCTURE PROPERTIES INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS TECNOLOGÍA DE MATERIALES PROPIEDADES DE LOS MATERIALES PROPIEDADES DE LOS MATERIALES

Farmers’ perspectives as determinants for adoption of conservation agriculture practices in Indo-Gangetic Plains of India

Ajay Kumar Mishra ML JAT (2022, [Artículo])

Understanding the farmer's perspective has traditionally been critical to influencing the adoption and out-scaling of CA-based climate-resilient practices. The objective of this study was to investigate the biophysical, socio-economic, and technical constraints in the adoption of CA by farmers in the Western- and Eastern-IGP, i.e., Karnal, Haryana, and Samastipur, Bihar, respectively. A pre-tested structured questionnaire was administered to 50 households practicing CA in Western- and Eastern-IGP. Smallholder farmers (<2 ha of landholding) in Karnal are 10% and Samastipur 66%. About 46% and 8% of households test soil periodically in Karnal and Samastipur, respectively. Results of PCA suggest economic profitability and soil health as core components from the farmer's motivational perspective in Karnal and Samastipur, respectively. Promotion and scaling up of CA technologies should be targeted per site-specific requirements, emphasizing biophysical resource availability, socio-economic constraints, and future impacts of such technology.

Smallholder Farmers Agents of Change Technology Diffusion Climate-Smart Practices CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA SMALLHOLDERS SOCIAL STRUCTURE IRRIGATION MANAGEMENT TECHNOLOGY CLIMATE-SMART AGRICULTURE CONSERVATION AGRICULTURE