Interplay between magnetism and energetics in FeCr alloys from a predictive non-collinear magnetic tight-binding model

Magnetism is a key driving force controlling several thermodynamic and kinetic properties of Fe-Cr systems. We present a newly-developed TB model for Fe-Cr, where magnetism is treated beyond the usual collinear approcimation. A major advantage of this model consists in a rather simple fitting procedure. In particular, no specific properties of the binary system is explicitly required in the fitting database. The present model is proved to be accurate and highly transfer-able for electronic, magnetic and energetic properties of a large variety of structural and chemical environments: surfaces, interfaces, embedded clusters, and the whole compositional range of the binary alloy. The occurence of non-collinear magnetic configurations caused by magnetic frustrations is successfully predicted. The present TB approach can apply for other binary magnetic transition-metal alloys. It is expected to be particularly promissing if the size difference between the alloying elements is rather small and the electronic properties prevail

Development and pharmaceutical performance of a novel co-processed excipient of alginic acid and microcrystalline cellulose

International audienc

Low- and high-temperature magnetism of Cr and Fe nanoclusters in iron-chromium alloys

International audienceLow-energy magnetic states and finite-temperature properties of Cr nanoclusters in bulk bcc Fe and Fe nanoclusters in bulk Cr are investigated using density functional theory (DFT) and the Heisenberg-Landau Hamiltonian based magnetic cluster expansion (MCE). We show, by means of noncollinear magnetic DFT calculations, that magnetic frustration caused by competing ferromagnetic and antiferromagnetic interactions either strongly reduces local magnetic moments while keeping collinearity or generates noncollinear magnetic structures. Small Cr clusters generally exhibit collinear ground states. Noncollinear magnetic configurations form in the vicinity of small Fe clusters if antiferromagnetic Fe-Cr coupling dominates over ferromagnetic Fe-Fe interactions. MCE predictions broadly agree with DFT data on the low-energy magnetic structures, and extend the DFT analysis to larger systems. Nonvanishing cluster magnetization caused by the dominance of Fe-Cr over Cr-Cr antiferromagnetic coupling is found in Cr nanoclusters using both DFT and MCE. Temperature dependence of magnetic properties of Cr clusters is strongly influenced by the surrounding iron atoms. A Cr nanocluster remains magnetic until fairly high temperatures, close to the Curie temperature of pure Fe in the large cluster size limit. Cr-Cr magnetic moment correlations are retained at high temperatures due to the coupling of interfacial Cr atoms with the Fe environment. Variation of magnetization of Fe-Cr alloys as a function of temperature and Cr clusters size predicted by MCE is assessed against the available experimental data

Decellularized Spinach Biomaterials Support Physiologically Relevant Mechanical Cyclic Strain and Prompt a Stretch-Induced Cellular Response

Recently, decellularized plant biomaterials have been explored for their use as tissue engineered substitutes. Herein, we expanded upon the investigation of the mechanical properties of these materials to explore their elasticity as many anatomical areas of the body require biomechanical dynamism. We first constructed a device to secure the scaffold and induce a strain within the physiological range of the normal human adult lung during breathing (12–20 movements/min; 10–20% elongation). Results showed that decellularized spinach leaves can support cyclic strain for 24 h and displayed heterogeneous local strain values (7.76–15.88%) as well as a Poisson’s ratio (0.12) similar to that of mammalian lungs (10.67–19.67%; 0.01), as opposed to an incompressible homogeneous standard polymer (such as PDMS (10.85–12.71%; 0.4)). Imaging and mechanical testing showed that the vegetal scaffold exhibited strain hardening but maintained its structural architecture and water retention capacity, suggesting an unaltered porosity. Interestingly, we also showed that cells seeded on the scaffold can also sense the mechanical strain as demonstrated by a nuclear reorientation perpendicular to strain direction (63.3° compared to 41.2° for nonstretched cells), a nuclear location of YAP and increased expression of YAP target genes, a high cytoplasmic calcium level, and an elevated expression level of collagen genes (COL1A1, COL3A1, COL4A1, and COL6A) with an increased collagen secretion at the protein level. Taken together, these data demonstrated that decellularized plant leaf tissues have an inherent elastic property similar to that found in the mammalian system to which cells can sense and respond