Jiayi Yan

Many bcc refractory alloys show excellent high-temperature mechanical properties, while their fabricability can be limited by brittleness near room temperature. For the purpose of predicting ductile alloys, a number of ductility metrics based on atomic structures and crystal properties, ranging from mechanistic to empirical, have been proposed. In this work, we propose an “average bond stiffness” as a new ductility metric that is also convenient to obtain from first-principles calculations, in addition to using the average magnitude of static displacements of atoms. The usefulness of average bond stiffness is validated by comparing first-principles calculation results to experimental data on the “rhenium effect” in Mo/W-base and V/Nb/Ta-base binary alloys. The average bond stiffness also correlates well with the room-temperature ductility of refractory high-entropy alloys, with a better performance than some ductility metrics previously reported. While in reality the ductility of an alloy can be influenced by many factors, from processing and microstructure, the average magnitude of static displacements and the average bond stiffness are atomistic-level features useful for design of alloy composition towards a desired level of ductility.

An excellent Mn⁴⁺-activated GdGeSbO₆:0.3%Mn⁴⁺ red phosphor was synthesized. A warm WLED and a full-spectrum WLED with commendable luminescence performance were fabricated using the GdGeSbO₆:0.3%Mn⁴⁺ phosphor.

A steady-state model for austenite-to-pearlite transformation in multicomponent steel is presented, including Fe, C, and eight more elements. The model considers not only classic ingredients (formation of ferrite–cementite interface, volume diffusion, boundary diffusion, and optimization of lamellar spacing) but also finite austenite–pearlite interfacial mobility that resolves some previous difficulties. A non-Arrhenius behavior of interfacial mobility is revealed from growth rate and lamellar spacing data. A smooth and physical transition between orthopearlite and parapearlite is realized by optimizing the partitioning of substitutional alloying elements between ferrite and cementite to maximize growth rate or dissipation rate while keeping carbon at equilibrium. Solute drag effect is included, which accounts for the bay in growth rate curves. Grain boundary nucleation rate is modeled as a function of chemical composition, driving force, and temperature, with consideration of grain boundary equilibrium segregation. Overall transformation kinetics is obtained from growth rate and grain boundary nucleation rate, assuming pearlite colonies only nucleate on austenite grain boundaries. Further theoretical and experimental work are suggested for generalization and improvements.

Summary: The concept of full commutativity of displacements in the expression for strain energy density for the geometrically nonlinear problem has been introduced for the first time and fully established in this paper. Its consequences for the FEM formulation have been demonstrated. As a result, the strain energy, equilibrium equation, and incremental equilibrium equation for the geometrically nonlinear problem can all be presented in a unified manner involving various stiffness matrices that are all symmetric, unique, and explicitly expressed. As an important application, the framework has been employed in the FEM implementation of Koiter's initial postbuckling theory, which has been handicapped by its mesh sensitivity in evaluating one of the initial postbuckling coefficients. This has largely prevented it from being incorporated in mainstream commercial FEM codes. Based on the outcomes of this paper, the mesh sensitivity problem has been completely resolved without the need to use any specially formulated element. As a result, Koiter's theory can be practically and straightforwardly implemented in any FEM code. The results have been verified against those found in the literature.