Conference Program

O01

08:10-08:30

Wei Xiong: CALPHAD-based ICME Design for Additive Manufacturing of Functionally Graded Alloys

O02

08:30-08:50

Silvana Tumminello: Precipitation simulations of the O-phase inTi₂AlNb alloy synthesized by laser powder bed fusion

O03

08:50-09:10

Bernd Böttger: Thermodynamic Aspects of Microstructure Formation during Powder Bed Fusion of Ni-base Superalloys: A Phase-Field Simulation Approach using the Software MICRESS®

O04

09:10-09:30

Wei Chen: Phase Transformation Pathway in Additive Manufactured High-entropy Alloys

O05

09:30-09:50

Manuel Sanchez-Poncela: Triplex steel powder design to avoid hot cracking in laser-powder bed fusion using computational thermodynamics

O06

09:50-10:10

Sang-Ho Oh: Development of a novel Monte Carlo Potts model for solid-liquid phase transformations

O07

10:40-11:00

Svitlana Iljenko: From Data to Knowledge: The Importance of Critical Evaluation in Materials Constitution

O08

11:00-11:20

Andreas Czerny: Thermodynamic assessment of the systems Mo-Si and Mo-Si-Ti

O09

11:20-11:40

Jia Qi: Experimental study and thermodynamic assessment of the metal-salt systems

O10

11:40-12:00

Peter Franke: A Thermodynamic Assessment of 5 Selected Organic Carbonates and Their Mixtures Used in Lithium-ion Batteries

O11

12:00-12:20

Sinn-Wen Chen: Miscibility gaps in the Ag-Cu-Se-Te quaternary system

O12

14:00-14:20

Rainer Schmid-Fetzer: External magnetic field and Gibbs energy: A novel framework suitable for Calphad

O13

14:20-14:40

Courtney Kunselman: Revisiting Derivatives at Equilibrium

O14

14:40-15:00

Ping Wu: Entropy-driven synthesis of non-Van-Der-Waals crystals into nanosheets

O15

15:00-15:20

Lorenzo Fenocchio: 3^rd Generation CALPHAD modelling of pure high-melting elements: case study on Mo

O16

15:20-15:40

Alexander Walnsch: Thermodynamic assessment of the Al–Ni system using revised 3rd generation unaries, thermal vacancies

O17

16:10-16:30

Fan Zhang: Pandat Software and Its Applications in Materials                                    Design and Process Optimization

O18

16:30-16:50

In-Ho Jung: FactProSim Flowsheet Process Simulation Software

O19

16:50-17:10

Byeong-Joo Lee: A real scale Monte Carlo Potts model for simulation of microstructural evolution under thermal gradient

O20

17:10-17:30

Luis Ladinos-Pizano: Design of γ′-strengthened superalloys for additive manufacturing through CALPHAD-based ICME modeling

O21

17:30-17:50

Lucas Ueberricke: Optimization of Gibbs Energy of Deeply Undercooled Oxide Melts for Modelling of Crystallization Phenomena in Glasses

O22

08:00-08:20

Andre Schneider: Influence of alloying elements on cementite formation on Fe-X (X = Si, Mo, V) alloys during carburization

O23

08:20-08:40

Michael Bernhard: Experimental and thermodynamic evaluation of the Fe-Si system and application to the processing of silicon steels

O24

08:40-09:00

Aurélie Jacob: Microstructural investigation of the undercooled austenite in the Fe-C

O25

09:00-09:20

Weisen Zheng: CALPHAD-assisted design of ultrahigh-strength TRIP-aided autosteel plate

O26

09:20-09:40

Caroline Toffolon-Masclet: Modelisation of carbides precipitation                                    sequences during tempering in model Fe-C-Mo-Mn-Ni ferritic alloys

O27

09:40-10:00

Johann Möbius: Thermal characterization of compositionally complex Fe-based alloys

O28

10:30-10:50

Irina Roslyakova: Machine Learning and ChatGPT Integration for the Third Generation of 0 Kelvin CALPHAD Databases

O29

10:50-11:10

Qing Chen: AlloyNet – Predicting Alloy Properties by ANNs

O30

11:10-11:30

Héléna Verbeeck: Modeling of Particle Dissolution during Spent Automotive Catalyst Recycling: Overcoming Driving Force Limitations

O31

11:30-11:50

Bruno Reis: Calphad Optimizer: SQL Insights on Refining, ML, and Quality Metrics

O32

11:50-12:10

Jaemin Wang: Machine Learning-Driven Solutions to Evaporation Induced Variability in Chemical Composition of In-Situ Alloyed Products Fabricated by Direct Energy Deposition

O33

14:00-14:20

Yong Du: Thermodynamic, kinetic simulation and experiment on the chemically vapor deposited TiAlSiN coatings

O34

14:20-14:40

Aurelien Perron: Development and integration of CALPHAD databases and software tools for alloy design

O35

14:40-15:00

Julian Rackwitz: High-strength high-damping steels: A CALPHAD assisted alloy design

O36

15:00-15:20

Wei-Lin Tan: Multi-Objective Design of High Strength Thick-Plate Aluminum Alloy with Low Quench Sensitivity

O37

15:20-15:40

Libin Liu: Design of High-Strength Heat-Resistant Aluminum Alloys Based on Phase Diagram Calculations

O38

16:10-16:30

Christine Guéneau: Thermodynamic modelling of oxide fuels for nuclear applications: current status and prospects for improvement

O39

16:30-16:50

Manuel Löffler: Phase equilibrium investigations and thermodynamic study of the Y2O3-Ta2O5 system

O40

16:50-17:10

Yu Zhong: The Effect of A-site Doping Elements on the Activation Energy Barrier and Oxygen Diffusivity of La2NiO4+δ

O41

17:10-17:30

Elena Yazhenskikh: Thermodynamic modelling of the P-containing systems: Alk2O-Me2O3-P2O5 and AlkxPyO0.5x+2.5y-AlkCl

O42

17:30-17:50

Alexander Pisch: Thermodynamic modeling of the Al-Ca-O ternary system with key experiments

O43

08:00-08:20

Enrica Epifano: Pt effect on the bond-coating/superalloy interdiffusion a thermodynamic and kinetic study

O44

08:20-08:40

Yuan Yuan: The multi‐solute solid solution behaviour of magnesium alloys and their application on materials design

O45

08:40-09:00

Parikshit Bajpai: Accelerating thermochemical equilibrium calculations for nuclear reactor applications

O46

09:00-09:20

Adamantia Lazou: CALPHAD-based thermodynamic evaluation for integrating secondary Ni-containing dusts in ferrous processing

O47

09:20-09:40

Florian Häslich: Phases and Microstructure of Refractory Complex Concentrated Alloys AlxCryMoTaTi (x = 1…3, y = 0.5…1)

O48

09:40-10:00

Jean-Philippe Harvey: Eco-Innovative Process Design: Integrating LCA into Thermodynamic-based Process Simulations for the Development of more Sustainable Technologies

O49

10:30-10:50

Alexandra Navrotsky: Incorporating High Pressure into CALPHAD

O50

10:50-11:10

Dimitra Spathara: Exploring the parameter space of compositions and strengthening mechanisms, for the development of electroformed CuCr alloys, for rare event searches 

O51

11:10-11:30

Lisa-Yvonn Schmitt: Investigation of the Ni-Nb-Ta liquidus projection using the CALPHAD approach

O52

11:30-11:50

Frank Stein: About the ternary ω_o and O phase in the Ti-Al + Nb system

O53

11:50-12:10

Kazushige Ioroi: Experimental Determination of Phase Diagram and Thermodynamic Assessment in the Cr–Ta Binary System

O54

08:00-08:20

Fabio Miani: Calphad Science and the Art of Steel Making

O55

08:20-08:40

Jiayi Yan: CALPHAD-based modeling of pearlite transformation in multicomponent steels  

O56

08:40-09:00

Luo, Yiwa: CALPHAD Application in the Removal of MgO·Al2O3                                    Spinel Inclusions during Vacuum Metallurgy

O57

09:00-09:20

Nicholas Grundy: Applying CALPHAD Data to an Industrial Production Process: Kinetic Simulation of a Ladle Furnace

O58

09:20-09:40

Ikuo Ohnuma: Extended calculation model of grain boundary segregation and its application to segregation engineering

O59

09:40-10:00

Peter Presoly: How DSC measurements and CALPHAD helps to avoid breakouts during the continuous casting of peritectic steels

O60

10:30-10:50

John Ågren: Hillert-style irreversible thermodynamics and the entropy production

O61

10:50-11:10

Zi-Kui Liu: On Gibbs Equilibrium and Hillert Nonequilibrium Thermodynamics

O62

11:10-11:30

Qiang Du: The calculation of kinetic interface contact condition phase diagram and its applications to additive

O63

11:30-11:50

Hyo-Sun Jang: Diffusion of methane in metal-organic frameworks: An atomistic approach

O64

11:50-12:10

Tatsuya Tokunaga: Evaluation of crystallization behavior during rapid cooling process in Al-Fe-M (M = Mg, Si, Mn) alloys by combining the CALPHAD and kinetic approach

O65

14:00-14:20

Tilmann Hickel: Solute Induced Defect Phase Transformations in Grain Boundaries

O66

14:20-14:40

Jing Yang: Order-disorder transitions on alloy surfaces:  From Monte Carlo to analytical models 

O67

14:40-15:00

Qijun Hong: A generalized approach for rapid entropy calculation of liquids and solids

O68

15:00-15:20

Jianchuan Wang: First-principles study on the dehydrogenation thermodynamics and kinetics of Ti, Zr, V and Nb doped MgH2

O69

15:20-15:40

Quentin Bizot: Atomistic simulations and active learning of the enthalpy of mixing in liquid and solid solutions

O70

15:40-16:00

Masanori Enoki: Prediction of nitride nanocluster formation in iron based on first principles calculation

O71

08:00-08:20

Ursula Kattner: Calphad Databases for Co-base Superalloys

O72

08:20-08:40

Ernst Gamsjäger: Thermodynamic functions of low temperature data

O73

08:40-09:00

Zhangting He: Modelling allotropes for the third generation Calphad: a comprehensive exploration with focus on Fe

O74

09:00-09:20

Brandon Bocklund: Implementation of an extensible property modeling framework in ESPEI

O75

09:20-09:40

Wenhao Ma: Thermodynamic modeling of the Ni-S based bulk metallic glass-forming system

O76

09:40-10:00

Bengt Hallstedt: The SGTE Binary Collection

O77

10:30-10:50

Fangfang Zeng: Phase composition, microstructure and mechanical properties of CVD Ti-B-N coatings deposited at different temperatures guided by thermodynamic calculations

O78

10:50-11:10

Andreas Leineweber: High-pressure studies in the Fe–N system

O79

11:10-11:30

Weiping Gong: Formation kinetics and thermodynamic stability of the compounds in Bi4Ti3O12-BiFeO3 system

O80

11:30-11:50

Ondřej Zobač: Experimental and theoretical study of La-Ni-Sn system as a perspective hydrogen storage material

O81

11:50-12:10

Weronika Gozdur: Calorimetric measurements and thermodynamic modeling of Ag-Mg-Ti liquid alloys