Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the properties of solid, liquid, and vapor phases is proposed to model pure aluminium quantitatively. A coarse-grained amplitude representation of this model is used to simulate solidification in samples approaching micrometer scales. The simulations reproduce the experimentally observed orientation gradients within crystallizing grains when grown at experimentally relevant rapid quenches. We propose a causal connection between formation of defects and orientation gradients.
Microstructural and Mechanistic Insights into the Tension-Compression Asymmetry of Rapidly Solidified Fe-Cr Alloys: A Phase Field and Strain Gradient Plasticity Study
Aluminum single crystals are tested using X-Ray Bragg diffraction, which may have applications in microscopy and electronics fabrication industry. Yet, their efficiency for x- ray beam diffraction depends on the accurate crystal orientation, the microstructure and imperfections. Moreover, the final sample that is formed from the as-grown crystal by cutting, grinding, polishing and chemical etching, introduces various surface defects that penetrate deep into the crystal affecting its natural structure. Defect penetration is attributed to the fact that ultra-pure aluminum single crystals are sof…
Fracture in aluminum alloys with precipitates involves at least two mechanisms, namely, ductile fracture of the aluminum-rich matrix and brittle fracture of the precipitates. In this work, a coupled crystal plasticity-phase field model for mixed ductile-brittle failure modes is formulated and used to investigate the effect of precipitate morphology and size distribution on damage evolution in aluminum alloys. A thermodynamically consistent framework for elastic and plastic work dissipation in the fracture process zone is used to formulate the coupled constitutive behavior for brittle and ducti…
Ice growth has attracted great attention for its capability of fabricating hierarchically porous microstructure. However, the formation of tilted lamellar microstructure during freezing needs to be reconsidered due to the limited control of ice orientation with respect to thermal gradient during in-situ observations, which can greatly enrich our insight into architectural control of porous biomaterials. This paper provides an in-situ study of solid/liquid interface morphology evolution of directionally solidified single crystal ice with its C-axis (optical axis) perpendicular to directions of …
Physics-aware global Rietveld refinement for high-energy X-ray diffraction microscopy with application to reconstructing intragranular orientation and strain fields
California Institute of Technology（加州理工学院）；Massachusetts Institute of Technology（麻省理工学院）
A cylindrical sintering method for more realistic grain boundaries in nanocrystalline thin films
Institute of Physics of Materials, The Czech Academy of Sciences（材料物理研究所，捷克科学院）；Central European Institute of Technology, Brno University of Technology（中欧技术研究所，布尔诺理工大学）；Charles University, Faculty of Mathematics and Physics（查理大学，数学与物理学院）
The residual stress plays a vital role in determination of the device performance that uses thin films coating and thus the accurate determination of stress and its optimization with process parameters is an ongoing research work for many decades. In line with this, the microscopic origin of the stress at the atomic scale and its development during the thin film deposition is a matter of major scientific interests. The development of stress is a complex phenomenon and has a complex dependence to process parameters, film microstructure and its morphology. In this work, by utilizing a custom-des…
