High-Entropy Materials: Theory, Experiments, and Applications

776 Pages·2022·29.21 MB·English

by  Jamieson Brechtl, Peter K. Liaw

Jamieson Brechtl
Peter K. Liaw   Editors
High-Entropy
Materials:
Theory,
Experiments,
and Applications
High-Entropy Materials: Theory, Experiments,
and Applications
(cid:129)
Jamieson Brechtl Peter K. Liaw
Editors
High-Entropy Materials:
Theory, Experiments,
and Applications
Editors
JamiesonBrechtl PeterK.Liaw
MultifunctionalEquipmentIntegration DepartmentofMaterialsScienceand
Group Engineering
OakRidgeNationalLaboratory TheUniversityofTennessee
OakRidge,TN,USA Knoxville,TN,USA
ISBN978-3-030-77640-4 ISBN978-3-030-77641-1 (eBook)
https://doi.org/10.1007/978-3-030-77641-1
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Preface
Since 2004, metallic high-entropy materials (HEMs), also known as high-entropy
alloys (HEAs), multicomponent alloys, multi-principal element alloys (MPEAs),
compositionally complex alloys (CCAs), baseless alloys (BAs), or metal buffets
(MBs),havebeenextensivelystudiedbyawiderangeofscientistsandengineersin
fields,suchasphysics,chemistry,mechanicalengineering,andmaterialscienceand
engineering. By their definition, HEAs contain five or more unique elements such
thateachcomprises5–35atomicpercentofthematerial.Itisbelievedthatthistype
of composition leads to a relatively high configurational entropy and structural
stabilization in HEAs. Furthermore, it is thought that such characteristics give
HEAsdesirableproperties,includinghighstrengthandductility.However,inrecent
years, the field of HEMs has expanded to include ceramics and polymers. HEMs
(and HEAs in particular) have been proposed for use in various technologies,
includingenginesystems,fusionreactors,andhydrogenstoragedevices.Therefore,
understanding their mechanical behavior and microstructural responses under dif-
ferentenvironmentalconditionswillbeinstrumentalindeterminingtheirviabilityin
industry.
Twocentralfigures attheheartofthistransformativefieldareDr.BrianCantor
and Dr. Jien-Wei Yeh. Over the past few decades, they have contributed to the
fundamentalscientificadvancesthateventuallypavedthewayforthedevelopment
ofHEMs.ProfessorCantorisknownfordiscoveringthe“Cantoralloys,”whichare
composed of Co, Cr, Fe, Mn, and Ni. He was also instrumental in advancing the
field of multicomponent materials that consist of equiatomic alloys. Similarly,
ProfessorYehwasalsoexploringtheequiatomicconcept,whichledtothecreation
of an alloy with an unusually high entropy of mixing. Such an alloy with a high
entropyofmixingledhimtocointheterm“high-entropyalloy.”LikeNewtonand
Leibniz or Mendeleyev and Meyer, both published their initial research on HEAs
independentlyinthescientificliteraturein2004.Despitetheinitialstrongopposition
to their ideas, which stemmed from the belief that such materials would consist of
brittleintermetallicsandwouldthereforebeoflittleusetoindustry,theypersistedin
their research. Fortunately, their persistence paid off and their work has led to the
v
vi Preface
creation of a fundamentally new branch of materials science. Such tenacity in the
face of adversity is a true testament to their characters. Without their pioneering
workinthisfield,thesubjectofHEMswouldprobablynotexisttoday.
Inthisbook,thechaptersarewrittenbyauthorsthathaveexpertiseinmodeling,
simulation,andexperimentalwork.Chapters1and2providebiographicalcontexts
ontheworkperformedbyDr.CantorandDr.YehinthefieldofHEAs.Chapter3,as
writtenbyDr.S.JosephPoon,Mr.JieQi,andDr.AndrewM.Cheung,providesan
overview of the data-driven and machine-learning approaches to designing HEAs.
Chapter4,aspreparedbyDr.BaldurSteingrimsson,Mr.XuesongFan,Dr.Anand
Kulkarni, Dr. Michael C. Gao, and Dr. Peter K. Liaw, discusses applications of
machine learning and data analytics for the prediction of different properties of
HEMs,suchasultimatetensilestrength orfatigue resistance.Chapter5, aswritten
byDr.ShuaiGuanandDr.WenChen,introducestheworkingprinciplesofdifferent
additive manufacturing techniques on HEAs. Chapters 6 (Dr. Takeshi Egami,
Dr. Khorgolkhuu Odbadrakh, and Dr. Hyunseok Oh) and Chap. 7 (Dr. Chelsey
Hargather)describeapplicationsofdensityfunctionaltheory(DFT)tothestudyof
HEAs,includingthenatureoftheatomic-levelstressesandofdeformationproper-
tiesinHEAs.InChap.8,Mr.Chih-HengLi,Mr.Hsin-WenLin,Dr.Hsin-YiTiffany
Chen, and Dr. Han-Yi Chen provide an overview of the general theory, synthesis
methods,properties,andapplicationsofhigh-entropyceramics(HECs).Chapter9,
as written by Dr. Brianna L. Musicó, Dr. Cordell J. Delzer, Dr. John R. Salasin,
Dr. Michael R.Koehler, andDr. ClaudiaJ.Rawn, givesadiscussionontheX-ray
diffractiontechniquesandkinetictheoryusedtostudythephase-formationbehavior
in high entropy oxides HECs. Chapter 10 (Ms. Yuanyuan Shang, Dr. Jamieson
Brechtl, Dr. Claudio Psitidda, and Dr. Peter K. Liaw) provides a review on the
mechanical behavior of HEAs, while Chap. 11 (Dr. Mikhail A. Lebyodkin,
Dr. Tatiana A. Lebedkina, Dr. Jamieson Brechtl, and Dr. Peter K. Liaw) gives an
overviewontheserratedflowphenomenonanditsroleinthedeformationbehavior
ofHEAs.Chapter12,aswrittenbyDr.ZheFan,Dr.YangTong,andDr.Yanwen
Zhang, provides a thorough discussion on the irradiation response of HEAs and
CCAs when exposed to a range of ion doses and temperatures. In Chap. 13,
Mr.Hsuan-ChuChenandDr.Jien-WehYehdiscusshigh-entropycoatingapplica-
tions of HEMs. The book concludes with Chap. 14, as written by Mr. Yasong Li,
Mr. Shichao Zhou, and Dr. Yong Zhang, which explores future applications
ofHEMs.
Wearegratefultoallthechapters’authorsfor theirhardworkanddiligence on
this project, as it could not have been realized without them. We also greatly
appreciatetheauthors’participationinthemonthlymeetingsasitwasinstrumental
inimprovingthequalityofnotonlythebookchaptersbutalsothebookasawhole.
Finally, we would like to thank the staff at Springer, namely Brian Halm,
NandhakumarSundar, Michael Luby, AnitaLekhwani, and Zoe Kennedy for their
supportandassistance.
OakRidge,TN,USA JamiesonBrechtl
Knoxville,TN,USA PeterK.Liaw
Contents
1 APersonalPerspectiveontheDiscoveryandSignificance
ofMulticomponentHigh-EntropyAlloys. . . . . . . . . . . . . . . . . . . . . 1
BrianCantor
2 MyTripfromPhysicstoHigh-EntropyMaterials. . . . . . . . . . . . . . 37
Jien-WeiYeh
3 HarnessingtheComplexCompositionalSpaceofHigh-Entropy
Alloys. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63
S.JosephPoon,JieQi,andAndrewM.Cheung
4 MachineLearningandDataAnalyticsforDesignandManufacturing
ofHigh-EntropyMaterialsExhibitingMechanicalorFatigue
PropertiesofInterest. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115
BaldurSteingrimsson,XuesongFan,AnandKulkarni,
MichaelC.Gao,andPeterK.Liaw
5 AdditiveManufacturingofHigh-EntropyAlloys:Microstructural
MetastabilityandMechanicalProperties. . . . . . . . . . . . . . . . . .. . . 239
ShuaiGuanandWenChen
6 ElectronicEffectsontheMechanicalPropertiesofHigh-Entropy
Alloys. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 287
TakeshiEgami,KhorgolkhuuOdbadrakh,andHyunseokOh
7 EfficientFirst-PrinciplesMethodologiesforCalculatingStacking
FaultEnergyinFCCandBCCHigh-EntropyAlloys. . . . . . . . . . . 315
ChelseyZ.Hargather
8 High-EntropyCeramics. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 355
Chih-HengLi,Hsin-WenLin,Hsin-YiTiffanyChen,
andHan-YiChen
vii
viii Contents
9 ExperimentalCharacterizationofHigh-EntropyOxides
withInSituHigh-TemperatureX-RayDiffraction
Techniques. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 413
BriannaL.Musicó,CordellJ.Delzer,JohnR.Salasin,
MichaelR.Koehler,andClaudiaJ.Rawn
10 MechanicalBehaviorofHigh-EntropyAlloys:AReview. . . . . . . . 435
YuanyuanShang,JamiesonBrechtl,ClaudioPistidda,
andPeterK.Liaw
11 SerratedFlowinAlloySystems. . . . . . . . . . . . . . . . . . . . . . . . . . . . 523
MikhailA.Lebyodkin,TatianaA.Lebedkina,JamiesonBrechtl,
andPeterK.Liaw
12 RadiationDamageinConcentratedSolid-Solution
andHigh-EntropyAlloys. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 645
ZheFan,YangTong,andYanwenZhang
13 High-EntropyCoatings. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 687
Hsuan-ChuChenandJien-WeiYeh
14 FutureResearchDirectionsandApplicationsforHigh-Entropy
Materials. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 721
YasongLi,ShichaoZhou,andYongZhang
Index. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 765
Chapter 1
A Personal Perspective on the Discovery
fi
and Signi cance of Multicomponent
High-Entropy Alloys
BrianCantor
1.1 Introduction
All useful materials are alloys. In other words, they are made by mixing several
different components. We have made materials by alloying since the beginning of
the late stone age about 12,000 years ago, when storage pots and building mate-
rialsbegantomadebyfiringalumina-silicaclays.Thiswasfollowedbythebronze
age,beginningabout6000yearsago,whenimprovedtoolsandweaponsbegantobe
made from copper alloyed with a small amount of tin instead of from naturally
occurringstonesandflints.Theironagefollowedsome2000yearslater,wheneven
betterutensils,toolsandweaponsweremadefromironalloyedwithasmallamount
of carbon. The steel age and the industrial revolution in the 18th and 19th centu-
riesreliedonimprovedcontrolofcarbonandotheralloyingelements,turningirons
intohigh-qualitysteels.Andthemoderndigitalrevolutionorsiliconagebeganwith
and is based on the discovery of semiconducting properties when silicon is doped
(micro-alloyed)withasmallamountofphosphorusorboron.
Conventionalalloyingstrategyhasalwaysbeentoselectamaincomponentbased
ontheprimarypropertyneededinamaterial,withoneormorealloyingadditionsto
confer secondary properties. As well as pottery, bricks, bronze, steel and semicon-
ductor silicon, other examples include: high-temperature superalloys, based on
nickelbecauseofitshighmeltingpoint,withchromiumaddedtopreventcorrosion,
and titanium and aluminium added to increase strength; and aerospace aluminium
alloys,basedonaluminiumforitslowdensity,withcopperandmagnesiumaddedto
increasestrength.
B.Cantor(*)
BrunelCentreforAdvancedSolidificationTechnology(BCAST),BrunelUniversity,
London,UK
DepartmentofMaterials,UniversityofOxford,Oxford,UK
e-mail:[e-mail];[e-mail]
©SpringerNatureSwitzerlandAG2021 1
J.Brechtl,P.K.Liaw(eds.),High-EntropyMaterials:Theory,Experiments,
andApplications,https://doi.org/10.1007/978-3-030-77641-1_1
2 B.Cantor
Fig.1.1 Schematicternary
phasediagramshowing
regionsofwell-known
materialsnearthecorners
andedgesandregionsof
poorlyknownorunknown
materialsinthe
centre(©retainedby
author)
Because of conventional alloying strategy, our theoretical and experimental
knowledge is, therefore, overwhelmingly based on materials with a single major
componentandoneortwodilutealloyingadditions.Incontrast,virtuallynothingis
knownaboutmaterialswithseveralmaincomponentsinsubstantialproportions.To
putit another way, we understand a lot about materials with compositions close to
the corners and edges of a hyper-dimensional multicomponent phase diagram, but
we know virtually nothing about materials with compositions in the centre of the
diagram,i.e.inthecentreofmulticomponentphasespace.Thisisshownschemat-
icallyinFig.1.1forternarysystems.
My own research group in the 1980s and a research group led by Professor
Jin-Wei Yeh in the 1990s began, quite independently, to manufacture alloys with
severalmajorcomponentsinequalornear-equalproportions,i.e.alloysinthecentre
ofmulticomponentphasespace.Thefirstresultsfrombothgroupswerepublishedin
2004 [1, 2], effectively launching a completely new method of finding new mate-
rials,overturningthetraditionalstrategyofpreviousmillennia.Theresultingmate-
rialswerecalledmulticomponentalloys[1]orhigh-entropyalloys[2].
Both research groups had initially encountered and been forced to overcome
considerableresistancetopursuingsucharadicalnewapproach,bothfromresearch
fundingagenciesandindeedfromthescientificcommunityatlarge.Andbothinitial
papers were met with little or no interest for the first few years following their
publication.By thebeginningofthe2020s, however,multi-million-dollarresearch
programmes were underway in many countries, with thousands of papers being
published each year in this new field of multicomponent high-entropy alloys.
Scientists worldwide have woken up to the enormous potential of using this new
approachtofindingnovelandexcitingmaterialswithvaluablenewproperties.
This chapter gives a personal perspective on the discovery of multicomponent
high-entropy alloys, the general features of multicomponent phase space, and the
properties of multicomponent high-entropy alloys. After a short autobiographical
note for context, it finishes with some philosophical reflections (lessons learnt) on
thestudyofmaterials(andonlifeingeneral).