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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 ©SpringerNatureSwitzerlandAG2021 Thisworkissubjecttocopyright.AllrightsarereservedbythePublisher,whetherthewholeorpartofthe materialisconcerned,specificallytherightsoftranslation,reprinting,reuseofillustrations,recitation, broadcasting,reproductiononmicrofilmsorinanyotherphysicalway,andtransmissionorinformation storageandretrieval,electronicadaptation,computersoftware,orbysimilarordissimilarmethodology nowknownorhereafterdeveloped. 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ThisSpringerimprintispublishedbytheregisteredcompanySpringerNatureSwitzerlandAG Theregisteredcompanyaddressis:Gewerbestrasse11,6330Cham,Switzerland 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:[email protected];[email protected] ©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 materials,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).