相关论文: Microstructural characterization and kinetics mode…
Martensites are long-lived nonequilibrium structures produced following a quench across a solid state structural transition. In a recent paper (Phys. Rev. Lett. 78, 2168 (1997)), we had described a mode-coupling theory for the morphology…
The crystal structure of CeN was investigated up to pressures of 82 GPa, using diamond anvil cell powder X-ray diffraction in two experiments with He and Si-oil as the pressure transmitting media. In contrast to previous reports, we do not…
To explore the role of the olivine grain size and crystal preferred orientation (CPO) on the evolution of the microstructure and the mechanical behaviour of upper mantle rocks up to large strains, we performed axial extension experiments at…
Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…
The parent compounds of recently discovered iron-arsenide superconductors, $A$Fe$_2$As$_2$ with alkaline earth $A$=Ca, Sr, Ba, undergo simultaneous structural and magnetic phase transitions at a temperature $T_{SM}$. Using a combination of…
We investigate the structure and dynamics of the magnetospheric accretion region and associated outflows on a scale smaller than 0.1 au around the young transitional disk system GM Aur. We monitored the variability of the system on…
In this work, we perform first principles DFT calculations to investigate the interplay between magnetic and structural properties in Ni2MnGa. We demonstrate that the relative stability of austenite (cubic) and non-modulated martensite…
A phase-field model is developed to simulate intergranular corrosion of ferritic/martensitic steels exposed to liquid lithium. The chromium concentration of the material is used to track the mass transport within the metal and liquid…
We are interested in the energetic cost of a martensitic inclusion of volume $V$ in austenite for the cubic-to-tetragonal phase transformation. In contrast with the work of [Kn\"upfer, Kohn, Otto: Comm. Pure Appl. Math. 66 (2013), no. 6,…
Calcium cobaltite thin films with a ratio Ca/Co=1 were grown on (101)-NdGaO3 substrate by the pulsed laser deposition technique. The structure of the deposited metastable phase is solved using a precession electron diffraction 3D dataset…
We compute the absorption efficiency (Qabs) of forsterite using the discrete dipole approximation (DDA) in order to identify and describe what characteristics of crystal grain shape and size are important to the shape, peak location, and…
Ion displacements are the cause of the ferroelectricity in perovskites. By properly shifting ions, ab initio computations have been extensively used to investigate properties of perovsites in various structural phases. In addition to the…
Needle-like twins are observed experimentally within the transition layer at the martensite-twinned martensite interface. We utilize a phase-field approach to investigate this microstructure. Our goal is to simulate the morphology of the…
A microscopic characterisation of the phase transitions associated with colossal magnetoresistance (CMR) in manganese perovskite oxides is a very important ingredient in the quest of understanding its underlying mechanism. Scanning…
Electronic nematicity in iron pnictide materials is coupled to both the lattice and the conducting electrons, which allows both structural and transport observables to probe nematic fluctuations and the order parameter. Here we combine…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
We study the mechanics of temperature-driven reconstructive martensitic transformations in crystalline materials, within the framework of nonlinear elasticity theory. We focus on the prototypical case of the square-hexagonal transition in…
The ability to characterise the three-dimensional microstructure of multiphase materials is essential for understanding the interaction between phases and associated materials properties. Here, laboratory-based diffraction-contrast…
In a magnetic shape memory alloy system, we vary composition following phenomenological arguments to tune macroscopic properties. We achieve significantly higher shift in austenite to martensitic phase transition temperature with magnetic…
Titanium and its alloys undergo temperature-driven martensitic phase transformation leading to the development of complex microstructures at mesoscale. Optimizing the mechanical properties of these materials requires an understanding of the…