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1

MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code

Duff, Andrew Ian, Finnis, M.W., Maugis, Philippe, Thijsse, Barend J., Sluiter, Marcel H.F.

Journal:

Computer Physics Communications

Year:

2015

Language:

english

File:

PDF, 439 KB

english, 2015

2

First-principles phase-stability study of fcc alloys in the Ti-Al system

Asta, Mark, de Fontaine, Didier, van Schilfgaarde, Mark, Sluiter, Marcel, Methfessel, Michael

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 956 KB

english, 1992

3

Dynamics and equation of state of hydrogen clathrate hydrate as a function of cage occupation

Talgat M. Inerbaev, Vladimir R. Belosludov, Rodion V. Belosludov, Marcel Sluiter, Yoshiyuki Kawazoe

Journal:

Computational Materials Science

Year:

2006

Language:

english

File:

PDF, 310 KB

english, 2006

4

Al

Sluiter, Marcel H. F., Kawazoe, Y.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 728 KB

english, 1995

5

Calphad Modeling of LRO and SRO Using ab initio Data

Enoki, Masanori, Sundman, Bo, Sluiter, Marcel H. F., Selleby, Malin, Ohtani, Hiroshi

Journal:

Year:

2020

File:

PDF, 1.91 MB

2020

6

Transferable tight-binding parameters: An application to Ni and Ni-Al alloys

Sluiter, Marcel H. F., Singh, Prabhakar P.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 339 KB

english, 1994

7

The effectiveness of reference-free modified embedded atom method potentials demonstrated for NiTi and NbMoTaW

Srinivasan, Prashanth, Duff, Andrew I, Mellan, Thomas A, Sluiter, Marcel H F, Nicola, Lucia, Simone, Angelo

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2019

Language:

english

File:

PDF, 1.05 MB

english, 2019

8

First-principles calculation of the pressure dependence of phase equilibria in the Al-Li system

Sluiter, Marcel H. F., Watanabe, Y., Fontaine, D. de, Kawazoe, Y.

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 211 KB

english, 1996

9

Liquid structure as a guide for phase stability in the solid state: Discovery of a stable compound in the Au–Si alloy system

Emre S. Tasci, Marcel H.F. Sluiter, Alain Pasturel, Pierre Villars

Journal:

Acta Materialia

Year:

2010

Language:

english

File:

PDF, 318 KB

english, 2010

10

Atomistic relaxation of systems containing plasticity elements

Echeverri Restrepo, Sebastián, Sluiter, Marcel H.F., Thijsse, Barend J.

Journal:

Computational Materials Science

Year:

2013

Language:

english

File:

PDF, 682 KB

english, 2013

11

Adsorption Isotherm and Other Properties of Methane in Zeolite A from an Intermolecular Potential Derived from ab Initio Calculations

Ghorai, Pradip Kr., Sluiter, Marcel, Yashonath, Subramanian, Kawazoe, Y.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 47 KB

english, 2003

12

Prediction of XPS spectra of silicon self-interstitials with the all-electron mixed-basis method

Takeshi Nishimatsu, Marcel Sluiter, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Yuzuru Sato, Masayasu Miyata, Masamitsu Uehara

Journal:

Physica B: Condensed Matter

Year:

2003

Language:

english

File:

PDF, 237 KB

english, 2003

13

The effect of segregation and partial order on the thermodynamics of (1 1 1) antiphase boundaries in Ni3Al

Marcel Sluiter, Y. Hashi, Yoshiyuki Kawazoe

Journal:

Computational Materials Science

Year:

1999

Language:

english

File:

PDF, 160 KB

english, 1999

14

First Principles Based Design and Experimental Evidence for a ZnO-Based Ferromagnet at Room Temperature

Sluiter, Marcel H. F., Kawazoe, Y., Sharma, Parmanand, Inoue, A., Raju, A. R., Rout, C., Waghmare, U. V.

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 866 KB

english, 2005

15

Structural and dynamic evolution in liquid Au-Si eutectic alloy by ab initio molecular dynamics

Pasturel, A., Tasci, Emre S., Sluiter, Marcel H. F., Jakse, N.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 127 KB

english, 2010

16

All-Electron Mixed-Basis Calculation of Structurally Optimized Titanium Nitride Clusters

Bae, Young-Cho, Osanai, Hiroki, Ohno, Kaoru, Sluiter, Marcel, Kawazoe, Yoshiyuki

Journal:

MATERIALS TRANSACTIONS

Year:

2002

Language:

english

File:

PDF, 39 KB

english, 2002

17

Phase Stability under High-Pressure in two Precipitation Strengthened Alloys

Sluiter, Marcel H. F., Watanabe, Y., Kawazoe, Y.

Journal:

Materials Transactions, JIM

Year:

1996

File:

PDF, 1.19 MB

1996

18

Strain Dependence of Solute Atom Energy in Aluminum-Rich Alloys

Vannarat, Sornthep, Sluiter, Marcel Henricus Franciscus, Kawazoe, Yoshiyuki

Journal:

MATERIALS TRANSACTIONS

Year:

2001

File:

PDF, 525 KB

2001

19

Effect of Lattice Coherency on Solution Energies of Impurities: Stability of an Epitaxial InAs Monolayer Deposited on GaAs

Vannarat, S., Sluiter, Marcel H. F., Kawazoe, Yoshiyuki

Journal:

Materials Transactions, JIM

Year:

1999

File:

PDF, 921 KB

1999

20

Perspectives on point defect thermodynamics

Rogal, Jutta, Divinski, Sergiy V., Finnis, Mike W., Glensk, Albert, Neugebauer, Jörg, Perepezko, John H., Schuwalow, Sergej, Sluiter, Marcel H. F., Sundman, Bo

Journal:

physica status solidi (b)

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

21

Prediction of the Effect of Ti on the (111) and (100) Antiphase Boundary Energy in Ni3Al

Wang, Hai-Ping, Sluiter, Marcel, Kawazoe, Yoshiyuki

Journal:

Materials Transactions, JIM

Year:

1999

File:

PDF, 858 KB

1999

22

The effect of magnetism on the site preference in Ni3Al

Marcel H.F. Sluiter, M. Takahashi, Y. Kawazoe

Journal:

Acta Materialia

Year:

1996

Language:

english

File:

PDF, 750 KB

english, 1996

23

First-principles prediction of partitioning of alloying elements between cementite and ferrite

Chaitanya Krishna Ande, Marcel H.F. Sluiter

Journal:

Acta Materialia

Year:

2010

Language:

english

File:

PDF, 225 KB

english, 2010

24

phase

Sluiter, Marcel H. F., Pasturel, Alain, Kawazoe, Yoshiyuki

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 242 KB

english, 2003

25

Explanation for the configurational heat capacity of ordered phases

Sluiter, Marcel, Kawazoe, Yoshiyuki

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 69 KB

english, 1999

26

Anomalous Magnetic Moments of Mn13 and Mn19 Clusters.

Briere, Tina M., Sluiter, Marcel H. F., Kumar, Vijay, Kawazoe, Yoshiyuki

Journal:

MATERIALS TRANSACTIONS

Year:

2002

Language:

english

File:

PDF, 70 KB

english, 2002

27

Intermixing tendencies in garnets: Pyrope and grossular

Sluiter, Marcel, Vinograd, Victor, Kawazoe, Yoshiyuki

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 159 KB

english, 2004

28

Electronic Structure and Phase Stability Properties of Ai-Li Alloys

Gonis, Antonios, Turchi, Patrice E.A., Sluiter, Marcel, Pinski, Frank J., Johnson, Duane D.

Journal:

MRS Proceedings

Year:

1990

Language:

english

File:

PDF, 249 KB

english, 1990

29

Introducing distant interactions in the cluster variation method

Sluiter, Marcel

Journal:

Computational Materials Science

Year:

1994

Language:

english

File:

PDF, 541 KB

english, 1994

30

Revisiting the revised Ag-Pt phase diagram

Hart, Gus L.W., Nelson, Lance J., Vanfleet, Richard R., Campbell, Branton J., Sluiter, Marcel H.F., Neethling, Jan H., Olivier, Ezra J., Allies, Soraya, Lang, Candace I., Meredig, Bryce, Wolverton, Ch

Journal:

Acta Materialia

Year:

2017

Language:

english

File:

PDF, 1.68 MB

english, 2017

31

Association of plasma fibrinogen levels with coronary artery disease, smoking and inflammatory markers

Moniek P.M. de Maat, Anneke Pietersma, Marcel Kofflard, Wim Sluiter, Cornelis Kluft

Journal:

Atherosclerosis

Year:

1996

Language:

english

File:

PDF, 601 KB

english, 1996

32

Phase diagram of single-wall carbon nanotube crystals under hydrostatic pressure

Sluiter, Marcel H. F., Kawazoe, Yoshiyuki

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 724 KB

english, 2004

33

system predicted from the excess enthalpies of supercell structures with single and double defects

Vinograd, Victor L., Sluiter, Marcel H. F., Winkler, Björn

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 215 KB

english, 2009

34

Molecular dynamics and ab initio calculations

Anil Kumar, A. V., Yashonath, S., Sluiter, Marcel, Kawazoe, Yoshiyuki

Journal:

Physical Review E

Year:

2001

Language:

english

File:

PDF, 115 KB

english, 2001

35

Interfacial Segregation of Early Transition Metals in Nickel Aluminide.

Wang, Hai-Ping, Sluiter, Marcel, Kawazoe, Yoshiyuki

Journal:

MATERIALS TRANSACTIONS

Year:

2001

File:

PDF, 690 KB

2001

36

Bondlengths and Phase Stability of Silicon-Germanium Alloys under Pressure

Sluiter, Marcel&nbsp, H.&nbsp, F., Kawazoe, Yoshiyuki

Journal:

MATERIALS TRANSACTIONS

Year:

2001

File:

PDF, 1.27 MB

2001

37

Interplay between Lattice Distortions, Vibrations and Phase Stability in NbMoTaW High Entropy Alloys

Körmann, Fritz, Sluiter, Marcel

Journal:

Year:

2016

Language:

english

File:

PDF, 1.15 MB

english, 2016

38

Electronic structure of single wall carbon nanotube bundles under compression as compared to graphite and hexagonal graphene stacking

Marcel H.F Sluiter, Vijay Kumar, Yoshiyuki Kawazoe

Journal:

Physica B: Condensed Matter

Year:

2002

Language:

english

File:

PDF, 84 KB

english, 2002

39

Effect of Strain on Alloying in InAs/GaAs Heterostructure

Vannarat, S., Sluiter, Marcel H. F., Kawazoe, Yoshiyuki

Journal:

Japanese Journal of Applied Physics

Year:

2002

Language:

english

File:

PDF, 113 KB

english, 2002

40

Atomic-Scale Structure of SixGe1-x Solid Solutions

Yonenaga, I., Sakurai, Masaki, Sluiter, Marcel H.F., Kawazoe, Y.

Journal:

Journal of Metastable and Nanocrystalline Materials

Year:

2005

File:

PDF, 360 KB

2005

41

Ab initio calculation of the phase stability in Au-Pd and Ag-Pt alloys

Sluiter, Marcel, Colinet, C., Pasturel, Alain

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 399 KB

english, 2006

42

First principles studies of magnesium oxide clusters by parallelized Tohoku University Mixed-Basis program TOMBO

Amit Jain, Vijay Kumar, Marcel Sluiter, Yoshiyuki Kawazoe

Journal:

Computational Materials Science

Year:

2006

Language:

english

File:

PDF, 218 KB

english, 2006

43

Atomic structures and magnetic behavior of Mn clusters

Briere, Tina M., Sluiter, Marcel H. F., Kumar, Vijay, Kawazoe, Yoshiyuki

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 171 KB

english, 2002

44

First-Principles and Genetic Modelling of Precipitation Sequences in Aluminium Alloys

De Jong, Maarten, Dutta, Rangan K., Sluiter, Marcel H. F., Miroux, Alexis G., van der Zwaag, Sybrand, Sietsma, Jilt, Rivera Diaz Del Castillo, Pedro E. J.

Journal:

Solid State Phenomena

Year:

2011

Language:

english

File:

PDF, 1.07 MB

english, 2011

45

Ab-initio modeling of metastable precipitation processes in aluminum 7xxx alloys

de Jong, Maarten, van der Zwaag, Sybrand, Sluiter, Marcel

Journal:

International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde)

Year:

2012

Language:

english

File:

PDF, 285 KB

english, 2012

46

[P4] Ab initio prediction of vacancy properties in concentrated alloys: the case of fcc Cu-Ni

Zhang, Xi, Sluiter, Marcel H.F.

Journal:

Year:

2015

Language:

english

File:

PDF, 55 KB

english, 2015

47

Molecular Dynamics Simulation of Temperature Dependence of Dislocation Behavior in fcc Ni Single Crystal under Tensile Condition.

Aihara, Tomoyasu, Kaneko, Ryota, Sluiter, Marcel Henricus Franciscu, Kawazoe, Yoshiyuki

Journal:

MATERIALS TRANSACTIONS

Year:

2001

File:

PDF, 642 KB

2001

48

Invariance of truncated cluster expansions for first-principles alloy thermodynamics

Sluiter, Marcel H. F., Kawazoe, Y.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 23 KB

english, 2005

49

Phase Stability of the Sigma Phase in Fe-Cr Based Alloys

F, Marcel Il., Esfurjani, Sluiter. Koivan, Kawazoe, Yoshiyuki

Journal:

MRS Proceedings

Year:

1995

Language:

english

File:

PDF, 371 KB

english, 1995

50

Solubility Products for Precipitate Phases in Steels from First-principles Calculations

Klymko, Tetyana, Ande, Chaitanya Krishna, Sluiter, Marcel

Journal:

MRS Proceedings

Year:

2011

Language:

english

File:

PDF, 317 KB

english, 2011

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