Co-reporter:Jia-Yi Yan, G.B. Olson
Journal of Alloys and Compounds 2016 Volume 673() pp:441-454
Publication Date(Web):15 July 2016
DOI:10.1016/j.jallcom.2016.02.251
•The thermodynamics of low-temperature displacive transformations in Ti-based systems are described.•The anomalous β-stabilizing effects of Al, Sn, and Zr are correctly modeled for the first time in Ti–V/Nb-based systems.•The critical driving force of martensitic nucleation in Ti-based alloy is modeled by solution-hardening interfacial friction.The thermodynamics of Ti-based systems are described for β–α′/α″ martensitic transformation and athermal ω formation at low temperatures. The new descriptions can better represent the relationship between the partitionless equilibrium temperature and the measured martensite-formation/reversion temperatures. The anomalous β-stabilizing effects of Al, Sn, and Zr in ternary Ti–V/Nb-based alloys are well modeled for the first time. The Gibbs energy function of ω–Ti at ambient pressure is assessed. The formation temperature of athermal ω phase is assessed in some binary systems and estimated in some ternary systems based on electrical resistivity and first-principles calculations. The critical driving force for heterogeneous martensitic nucleation is modeled by solution-hardening interfacial friction using the present thermodynamic descriptions. The competition between martensite and athermal ω phase can be understood based on their transformation thermodynamic and kinetic factors.
Co-reporter:Jia-Yi Yan, G.B. Olson
Calphad 2016 Volume 52() pp:152-158
Publication Date(Web):March 2016
DOI:10.1016/j.calphad.2016.01.003
•A molar volume database for Ti-base solid solutions is established.•Bcc, hcp, and martensitic orthorhombic phasesare included in the database.•A density criterion is used to predict whether martensite is hcp or orthorhombic.The room-temperature molar volumes of bcc (β), hcp (equilibrium α or martensitic α′), and orthorhombic (martensitic α′′) phases are modeled for a number of Ti-base solid solutions in the CALPHAD framework. The martensitic molar volume is continuous at the α′/α′′ transition composition. Hcp and orthorhombic structures are modeled separately, and the predicted martensitic structure is taken as the denser one.
Co-reporter:Stephanie Chan O’Keeffe, Shan Tang, Adrian M. Kopacz, Jacob Smith, David J. Rowenhorst, George Spanos, Wing Kam Liu, Gregory B. Olson
Acta Materialia 2015 Volume 82() pp:503-510
Publication Date(Web):1 January 2015
DOI:10.1016/j.actamat.2014.09.016
Abstract
Ductile fracture in alloys is a multiscale process in which primary voids formed at micron-scale particles coalesce by a zig-zag pattern of shear localization driven by finer-scale microvoiding at submicron-scale secondary particles. Employing the method of serial sectioning, unprecedented 3-D microstructural reconstructions of steel crack-tip process zones are obtained and implemented into a large-scale simulation for ductile fracture analysis. A quantitative understanding of the microvoid sheeting mechanism and mixed-mode failure controlling the zig-zag fracture surface are presented using the modeling technique utilized herein. We define and quantify metrics of fracture by analyzing the crack opening distance, process zone size, zig-zag wavelength and void growth ratios in the crack tip reconstructions. The quantitative agreement of these metrics between experiment and simulation supports a new and developing predictive structure/property theory to enable materials design.
Co-reporter:G.B. Olson
Acta Materialia 2013 Volume 61(Issue 3) pp:771-781
Publication Date(Web):February 2013
DOI:10.1016/j.actamat.2012.10.045
Abstract
Our unique depth of scientific knowledge has allowed ferrous metallurgy to lead the development of a successful computational materials design methodology grounded in a system of fundamental databases. Expansion of this approach to embrace acceleration of the full development and qualification cycle has resulted in the flight of the first fully computationally designed and qualified material. The example of ferrous alloys provides a template for a general methodology of computational design for all materials.
Co-reporter:G.B. Olson, D. Gupta
Journal of Alloys and Compounds 2013 Volume 577(Supplement 1) pp:S9-S12
Publication Date(Web):15 November 2013
DOI:10.1016/j.jallcom.2012.02.036
Best known as co-author of the historic 1953 Invariant-Plane Strain (IPS) theory of martensite, Professor David S. Lieberman pioneered the crystal kinematic foundation of the theory of martensitic transformations. An early proponent of the practical potential of thermoelastic alloys, his interdisciplinary studies of a broad range of martensitic systems established mechanistic principles of point defect interactions underlying important mechanical behaviors, while his creative interests spanned diverse areas including materials sustainability and technical education reform. His special mix of strong will and singular humor played a unique role in shaping the martensite tradition.