Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations

Synthesis of NiTiSn by a mechanical alloying process followed by a high temperature thermal annealing was studied. Experiments were conducted varying parameters like the provided energy, the mechanical alloying reaction time, as well as the annealing temperature and duration. Based on the careful in...

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Main Authors:	Monique Tillard, Alexandre Berche, Philippe Jund
Format:	Article
Language:	English
Published:	MDPI AG 2018-10-01
Series:	Metals
Subjects:	mechanical alloying annealing thermoelectric compounds enthalpy of formation Heusler alloys
Online Access:	http://www.mdpi.com/2075-4701/8/10/835

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spelling	doaj-6ef969d4fcd9451ba52f98260958602f2020-11-24T23:04:56ZengMDPI AGMetals2075-47012018-10-0181083510.3390/met8100835met8100835Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles CalculationsMonique Tillard0Alexandre Berche1Philippe Jund2ICGM, CNRS, Université de Montpellier, ENSCM, 34095 Montpellier, FranceICGM, CNRS, Université de Montpellier, ENSCM, 34095 Montpellier, FranceICGM, CNRS, Université de Montpellier, ENSCM, 34095 Montpellier, FranceSynthesis of NiTiSn by a mechanical alloying process followed by a high temperature thermal annealing was studied. Experiments were conducted varying parameters like the provided energy, the mechanical alloying reaction time, as well as the annealing temperature and duration. Based on the careful investigation of the phases present in the samples by systematic X-ray diffraction (after mechanical alloying and after annealing) and selected microscopy analyses, a reaction mechanism is proposed supported by theoretical calculations at the DFT (Density Functional Theory) level. An energy window to prepare directly NiTiSn has been evidenced. Highly pure NiTiSn has also been obtained by conversion from a multicomponent precursor obtained by low energy mechanical alloying.http://www.mdpi.com/2075-4701/8/10/835mechanical alloyingannealingthermoelectric compoundsenthalpy of formationHeusler alloys
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Monique Tillard Alexandre Berche Philippe Jund
spellingShingle	Monique Tillard Alexandre Berche Philippe Jund Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations Metals mechanical alloying annealing thermoelectric compounds enthalpy of formation Heusler alloys
author_facet	Monique Tillard Alexandre Berche Philippe Jund
author_sort	Monique Tillard
title	Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations
title_short	Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations
title_full	Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations
title_fullStr	Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations
title_full_unstemmed	Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations
title_sort	synthesis of pure nitisn by mechanical alloying: an investigation of the optimal experimental conditions supported by first principles calculations
publisher	MDPI AG
series	Metals
issn	2075-4701
publishDate	2018-10-01
description	Synthesis of NiTiSn by a mechanical alloying process followed by a high temperature thermal annealing was studied. Experiments were conducted varying parameters like the provided energy, the mechanical alloying reaction time, as well as the annealing temperature and duration. Based on the careful investigation of the phases present in the samples by systematic X-ray diffraction (after mechanical alloying and after annealing) and selected microscopy analyses, a reaction mechanism is proposed supported by theoretical calculations at the DFT (Density Functional Theory) level. An energy window to prepare directly NiTiSn has been evidenced. Highly pure NiTiSn has also been obtained by conversion from a multicomponent precursor obtained by low energy mechanical alloying.
topic	mechanical alloying annealing thermoelectric compounds enthalpy of formation Heusler alloys
url	http://www.mdpi.com/2075-4701/8/10/835
work_keys_str_mv	AT moniquetillard synthesisofpurenitisnbymechanicalalloyinganinvestigationoftheoptimalexperimentalconditionssupportedbyfirstprinciplescalculations AT alexandreberche synthesisofpurenitisnbymechanicalalloyinganinvestigationoftheoptimalexperimentalconditionssupportedbyfirstprinciplescalculations AT philippejund synthesisofpurenitisnbymechanicalalloyinganinvestigationoftheoptimalexperimentalconditionssupportedbyfirstprinciplescalculations
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Synthesis of Pure NiTiSn by Mechanical Alloying: An Investigation of the Optimal Experimental Conditions Supported by First Principles Calculations

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