Antonov, S.; Li, B.; Gault, B.; Tan, Q.: The effect of solute segregation to deformation twin boundaries on the electrical resistivity of a single-phase superalloy. Scripta Materialia 186, pp. 208 - 212 (2020)
Antonov, S.; Tan, Q.; Li, B.: Atom Probe Tomographic Investigation of the Solute Segregation to Crystal Defects in γ-phase Co–35Ni–20Cr–10Mo Superalloy. Microscopy and Microanalysis 26 (S2), pp. 3076 - 3077 (2020)
Zheng, Y.; Antonov, S.; Fraser, H. L.: Exploration of Novel Ordering Mechanism in Titanium Alloys Using Atom Probe Tomography and Aberration-corrected Scanning Transmission Electron Microscopy. Microscopy and Microanalysis 26 (S2), pp. 2078 - 2079 (2020)
Lilensten, L.; Antonov, S.; Raabe, D.; Tin, S.; Gault, B.; Kontis, P.: Deformation of Borides in Nickel-based Superalloys: a Study of Segregation at Dislocations. M & M 2019 - Microscopy & Microanalysis, Portland, OR, USA, August 04, 2019 - August 08, 2019. Microscopy and Microanalysis 25, S2 Ed., pp. 2538 - 2539 (2019)
Antonov, S.: Understanding phase transformations at boundaries and interfaces in β-Titanium alloys at the near-atomic scale. Conference on Possibilities and Limitations of Quantitative Materials Modeling and Characterization, Bernkastel-Kues, Germany (2021)
Antonov, S.: Understanding the Defect-Solute Interactions during Deformation of Superalloys. Colloquium, Oak Ridge National Laboratory, online, Oak Ridge, TN, USA (2021)
Antonov, S.: Towards Improved Superalloy Performance via Defect Engineering. Department of Mechanical Colloquium, Industrial, and Manufacturing Engineering, Oregon State University, online, Corvallis, OR, USA (2021)
Antonov, S.; Shi, R.; Li, D.; Kloenne, Z.; Zheng, Y.; Fraser, H. L.; Raabe, D.; Gault, B.: Atom Probe Tomographic Study of Precursor Metastable Phases and Their Influence on a Precipitation in the Metastable ß-titanium Alloy, Ti–5Al–5Mo–5V–3Cr. TMS 2021 Annual Meeting & Exhibition, online, Pittsburgh, PA, USA (2021)
Antonov, S.: Understanding Superalloys on the Atomic Scale. Department of Materials Science Colloquium, University of Illinois Urbana-Champaign, online, Urbana, IL, USA (2021)
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Crystal plasticity modelling has gained considerable momentum in the past 20 years [1]. Developing this field from its original mean-field homogenization approach using viscoplastic constitutive hardening rules into an advanced multi-physics continuum field solution strategy requires a long-term initiative. The group “Theory and Simulation” of…
It is very challenging to simulate within DFT extreme electric fields (a few 1010 V/m) at a surface, e.g. for studying field evaporation, the key mechanism in atom probe tomography (APT). We have developed a straight-forward scheme to incorporate an ideal plate counter-electrode in a nominally charged repeated-slab calculation by means of a generalized dipole correction of the standard electrostatic potential obtained from fully periodic FFT.
In order to estimate the kinetics of thermally activated processes, one must determine the energy of the transition state. This transition state is a first-order saddle point on the potential energy surface, i.e., it is a maximum along the reaction coordinate, but a minimum with respect to all other directions in configurational space. We have…
The development of pyiron started in 2011 in the CM department to foster the implementation, rapid prototyping and application of the highly advanced fully ab initio simulation techniques developed by the department. The pyiron platform bundles the different steps occurring in a typical simulation life cycle in a single software platform and…