Singapore, June 2 - 7, 2019

Formatted version can be downloaded: CALPHAD Program

We will try to clean up this page as well...

 

Conference program of CALPHAD 2019

 

Sunday       June 2nd

14:00 - 18:00: Registration

18:00 - 20:00: Cocktail Reception

Venue: Grand Mercury Roxy Hotel, Singapore

 

 

 

 

Monday

Jun 3

8:40

 

 

OPENING

 

 

 

 

Chair:

Ping Wu

 

 

 

 

 

 

 

 

SESSION 1:

Modeling & Theory

 

 

 

Chairs:

Zi-Kui Liu, Sergei A Decterov

9:00

O01

John

Ågren

Modelling of vacancies in the compound-energy

9:20

O02

Taichi

Abe

Magnetic contributions to the vacancy formation in pure elements.

9:40

O03

N.

Dupin

Discussion on the implementation of the Effective Bond Energy Formalism (EBEF)

10:00

O04

M.

Selleby

Third generation of thermodynamic descriptions

10:20

 

 

 

Coffee-break

 

 

 

SESSION 2:        

Modeling & Optimization - 1

 

 

 

Chairs

John Ågren, C.G. Schön

10:40

O05

Ping

Wu

Entropic models for surfaces and interface research

11:00

O06

Sergei A.

Decterov

A general "geometric" thermodynamic model for multicomponent solutions

11:20

O07

Kun

Wang

Thermodynamic assessment of the KF-BeF2, KCl-BeCl2, BeF2-BeCl2 and KF-KCl systems towards an investigation on the K, Be// F, Cl reciprocal phase equilibria

11:40

O08

P.

Koukkari

Using extent of reaction in Calphad modeling

12:00

 

 

 

Lunch

 

 

 

SESSION 3:

Modeling and Optimization - 2

 

 

 

Chairs:

Qing Chen, Taichi Abe

13:40

O09

R.

Schmid-Fetzer

Combining Python and Pandat to assess kinetic and alloy design parameters for precipitation simulation

14:00

O10

 

Yu

Zhong

The CALPHADPLUS approach for multicomponent ionic solid solution oxides

14:20 

O11

Shenglan

Yang

OpenIEC: An open-source code for interfacial energy calculation in alloys

14:40

O12

Aurélie

Jacob

Thermodynamic modeling of G-phase for applied Calphad in Fe-based alloys

15:00

O13

 

Chuan

Zhang

CALPHAD-based modeling of cooling rate influence on solidification microstructure in magnesium alloys

15:20

 

 

 

Coffee-break

 

 

 

SESSION 4:

Modeling and Simulation -1

 

 

 

Chairs:

Chuan Zhang, Aurélie Jacob

15:50

O14

Qing

Chen

A general simplified growth model for multicomponent precipitation and its implementation in TC-PRISMA

16.10

O15

C.G.

Schön

Updating the continuous displacement CVM free energy: proper handling of the mechanical work term

16:30

O16

A.

Kwiatkowski da Silva

Thermodynamics of grain boundary segregation and interfacial spinodal: A Calphad-based modeling approach and near-atomic scale characterization

16:50

O17

 

Hong

Mao

Phase field simulation of 6XXX Al-Mg-Si alloys during the whole ageing process and its experimental verification

17:10

O18

K.

Abrahams

Generalized pair-diffusion model for multi-principal element alloys

 

18:30

21:00

 

 

POSTERS & DRINK SESSION (P01-P53)

 

 

 

 

 

Tuesday

June 4

 

 

 

 

 

 

 

 

 

 

SESSION 5:

Modeling and Simulation - 2

 

 

 

 

Chairs:

J.-M Joubert, D. Shin

08:40

 

O19

Reza

 

Darvishi Kamachali

A model for assessing grain boundary thermodynamics based on the available bulk thermodynamics data

09:00

 

O20

I.

Roslyakova

Role of materials informatics in computer-based design of Ni-/Co-based single crystal superalloys

09:20

 

O21

 

Soonho

Kwon

High throughput screening of alloy catalysts for PEMFC and machine learning prediction of chemisorption

09:40

 

O22

Zi-Kui

Liu

CALPHAD modeling, machine learning, and information

10:00

 

O23

Jianbao

Gao

High-throughput alloy design platform for Al-Si-Mg casting alloys driven by computational thermodynamics & phase-field modeling

10:20

 

 

 

 

Coffee-break

 

 

 

 

SESSION 6:

Modeling and Simulation - 3

 

 

 

 

Chairs:

L.-F. Zhu, I. Roslyakova

10:40

 

11:00

 

 

O24

 

O50

R.

 

J.-M.

Arroyave

 

Joubert

Bayesian uncertainty quantification and information fusion in CALPHAD-based thermodynamic modeling

Modeling of Os-Pt system under high hydrostatic pressure

11:20

 

O26

A.

Saengdeejing

Thermodynamic stability of substitutional elements in potential new permanent magnet compounds R(Fe,X)12 using Special Quasirandom Structures

11:40

 

O27

D.

Shin

Revisiting cast Al-Cu alloy with advanced characterization and modern supercomputing

12:00

 

 

 

 

Lunch

 

 

 

 

SESSION 7:

 Ab initio Calculations

 

 

 

 

Chairs:

 Kewu Bai, A. Walnsch

13:40

 

O28

Li-Fang

Zhu

Melting parameters from ab initio using the fast statistical sampling TOR-TILD approach: Applications to Al and Ni

14:00

 

O29

 

Qiulin

Li

Improving Al wettability on B4C by transition metal doping: A combined DFT and experiment study

14:20

 

O30

Theresa

Davey

First-principles-only phase diagram for the Al-Ni system

14:40

 

O31

Shih-Kang

Lin

Ab initio phase stability and electronic conductivity of the doped-Li4Ti5O12 anode for Li-ion batteries

15:00

 

O32

Jörg

Neugebauer

Defect phase diagrams: Concepts and applications

15:20

 

 

 

 

Coffee-break

 

 

 

 

SESSION 8:

Thermodynamic Assessment

 

 

 

 

Chairs:

Shih-Kang Lin, Jörg Neugebauer

15:50

 

O33

         

J.Schorne

Pinto

Thermodynamic assessment and experimental study of the
Cu-Cr-O system

16:10

 

O34

A.

Walnsch

Thermodynamic assessment and experimental investigations of the Al–Fe–Mn–Ni system

16:30

 

O35

Weiping

Gong

Thermochemistry of the CaO-TiO2 and SrO-ZrO2 system: From enthalpies of formation and heat capacities of the compounds to the phase diagram

16:50

 

O36

F.

Tesfaye

The fast silver ion conducting solid-state electrolytes for deriving thermodynamic data

17:10

 

O37  

         

C.

Zhou

The intermetallic compound Co3Ta and high-temperature phase equilibria in the Co−Ni−Ta system

 

 

 

 

 

 

18:30

 

21:00

 

 

POSTERS & DRINK SESSION (P54-P107)

 

 

 

 

Wednesday

June 5

 

 

 

 

 

 

 

 

SESSION 11:

Alloys and Oxides - 1

 

 

 

Chairs:

Ikuo Ohnuma, M.K. Paek

08:40

O25

Ying

Chen

First principles study of oxygen self-diffusion and thermal expansion in zirconia

09:00

O48

T.

Omori

BCC-HCP-FCC multiple martensitic transformations in Fe-Co-Cr-Mn high entropy alloys

09:20

O49

Jiang

Wang

Crystal structures and phase equilibria of RE-Mn-based alloys

09:40

O70

Kewu

Bai

Insight into the thermodynamic and kinetic stabilities of compositionally complex high entropy alloys of Ni-Cr-Fe-Co-Al-Ti-Cu via a pseudo binary phase diagram models 

10:00

O51

N.H.

Paulson

Quantified uncertainty in CALPHAD for materials design

10:20

 

 

 

Coffee-break

 

 

 

SESSION 12:

Alloys and Oxides - 2

 

 

 

Chairs:

Ying Chen, N.H. Paulson

10:40

O52

A.

Obaied

Thermodynamic re-assessment of pure chromium using modified segmented regression model

11:00

O53            

E.E.

Moore

Thermodynamic reassessment of actinide-iron systems

11:20

O54

Min-Kyu

Paek

Thermodynamic modeling of Fe-Mn-Si-C system

11:40

O55

Ikuo

Ohnuma

Calculation of grain boundary segregation in steels by CALPHAD method

12:00

 

 

 

Lunch

 

 

 

SESSION 13:

Experiments - 1

 

 

 

Chairs:

M.H. Lee, B. Zhao

13:40

O56

Xiaolong

Xie

FeB-12wt.%Al0.25FeNiCoCr cermet coating deposited by AC-HVAF and its corrosion resistance to molten zinc

14:00

O57

         

S.

Lippmann

Synthesis of pure intermetallic phases in temperature gradient

14:20

O58

Guanglong

Xu

Design of new weldable TiAl-based alloy with the CALPHAD tools

14:40

O59

J.I.

Jeong

Corrosion properties of Al-Mg and Al-Mg-Si coated steel

15:00

O60

Giacomo

Roncallo

Thermal barrier coatings phase stability and in service degradation: Thermodynamic and experimental study of CMAS corrosion on Ansaldo Energia’s materials

15:20

 

 

 

Coffee-break

 

 

 

SESSION 14:

Modeling and Simulation - 4

 

 

 

Chairs:

J.I. Jeong, S. Lippmann

15:50

O61

Qisheng

Feng

Designing of low-cost titanium alloy based on the assessment of Ti-Al-Fe-V system

16:10

O62

M.H.

Lee

Development of the ballast water sterilization system           in ships using computer simulations

16:30

O63

Xin

Wang

CALPHAD-based sensitivity analysis for alloy composition design in alloy additive manufacturing

16:50

O64

A.

Vegh

Calculation of phase diagrams for one component macro- and nano-systems taking into account the effect of surface melting

17:10

O65

 

Baojun

 

Zhao

Application of phase equilibria in smelting reduction of titaniferous magnetite

 

 

 

 

 

18:30

19:00

22:00

21:00

 

 

MARINE Offshore and Software DEMO

Calphad Board Meeting

 

 

 

 

MARINE Offshore and Software DEMO

18:30-22:00

Partially funded by the National Research Foundation, Prime Minister’s Office, Singapore under its Marine Science Research and Development programme

 

Chairs: Sang Sub Kim, Kewu Bai

 

 

 

 

Dr. Jae-In Jeong

Corrosion properties of Al-Mg and Al-Mg-Si coated steel

18:30

Prof. Hideyuki Kanematsu

Interaction between metallic materials and extracellular polymeric substances for biofouling - from the viewpoint of materials protection

19:00

 

 

 

Dr. Qing Chen

Thermo-calc

19:30

 

 

 

Dr. Chuan Zhang

Pandat

20:00

 

 

 

Richard A. Otis

PyCalphad and ESPEI

20:30

 

 

 

Software demo

 

21:00

         

 

 

 

 

Thursday

June 6

 

 

 

SESSION 9:

Alloys and Oxides - 3

 

 

 

Chairs:

I. Fartushna, V.B. Rajkumar

08:40

O38

Yanglin

Wang

Study on the phase equilibria of the Au-Pt-Co system

09:00

O39

M.J.

Kriegel

Modelling of the pressure-dependent phase stability in the binary Ti–Fe system

09:20

O40

Scott J.

McCormack

In-Situ phase diagram determination of the HfO2-Ta2O5-temperature system up to 3000 ˚C

09:40

O41

         

M.

Ilatovskaia  

Heat capacity of Al2MnO4 and thermodynamic assessment of the Al2O3-MnO system

10:00

O42

S.

Sineva

Experimental study of the slag/matte/spinel/gas equilibria in the “Cu2O”-“FeO”-SiO2-S-Al2O3-MgO-CaO system

10:20

 

 

 

Coffee-break

 

 

 

 

 

 

 

 

SESSION 10:

Experiment - 2

 

 

 

Chairs:

M. Ilatovskaia, Yong Du

10:40

O43

I.

Fartushna

Experimental study of the phase equilibria in the Co-Fe-La system

11:00

O44

P.

Brož

Experimental study and thermodynamic re-assessment of the Co-Sb system

11:20

O45

         

V.B.

Rajkumar

Experimental investigation and thermodynamic modeling of Cu-Si-Zr and Ni-Si-Zr integrating ab initio calculation

 

11:40

12:40

 

 

Lunch

 

13:00

17:30

 

 

Social Tour (Garden by the Bay)

 

18:00

22:00

 

 

Conference Banquet

 

 

 

 

Friday,

June 7

 

 

 

 

 

 

 

 

SESSION 15:

Modeling and Experiment

 

 

 

Chairs:

Zi-Kui Liu, Ping Wu

08:40

O66

H.

Ohtani

A thermodynamic study on the formation process of Z-phase in heat resistant steels

09:00

O67

G.

Kaptay

Extension of the thermodynamics of Gibbs to model interfacial energies for interfaces between any two bulk or nano solution phases

09:20

O68

Andrei

Lebedev

Carbon-doped BiNbO4 nanoparticles: Urea-assisted synthesis and visible light photocatalytic applications

09:40

O69

M.-A.

Van Ende

From CALPHAD to smart factory – steelmaking

10:00

O47

O.

 

Chizhko

Decomposition of titanium oxides. The systems Ti-U-O and Ti-W-O

10:20

 

 

 

Coffee-break

10:50

 

 

11:10

O46

Qing

Gu

Enthalpies of formation of some laves compounds as a function of composition

 

Panel discussion with Calphad Editorial Board memebers

 

12:00

 

12:00

 

 

 

 

 

Closing by Ping Wu

 

Lunch (12:00-13:40)