Augmenting MatML with Heat Treating Semantics

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Augmenting MatML with Heat Treating Semantics

• Aparna Varde, Elke Rundensteiner, Murali Mani
• Mohammed Maniruzzaman and Richard D. Sisson Jr.
• Worcester Polytechnic Institute, Worcester, MA,
  USA

Conference ASM Materials Solutions, Oct 2004,
Columbus, OH, USA Symposium Developments in
Web-Based Material Property Databases

• This work is supported by the Center for Heat
  Treating Excellence (CHTE) and its member
  companies and by the Department of Energy
  Office of Industrial Technology (DOE-OIT) Award
  Number DE-FC-07-011D14197

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Introduction

• Domain Specific Markup Language
• Medium of communication for domain users.
• Follows XML syntax.
• Encompasses domain semantics.
• MatML
• Materials Science Markup Language.
• XML for Materials Property Data.
• Developed by NIST (National Institute of Stds.
  Technology).
• Need for Extension
• MatML tags generic to Materials Science.
• Desirable to incorporate the semantics of Heat
  Treating.
• Extension proposed to MatML.

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Heat Treating

• Involves controlled heating cooling of
  materials to achieve desired mechanical
  thermal properties.
• Quenching or rapid cooling important step in
  heat treating.
• Quenchant cooling medium.
• Part material being cooled.
• Conditions Temperature, Agitation etc.

Quenching Setup at CHTE, WPI
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MatML Materials Science Markup Language

• One common exchange format for Materials data.
• Standard developed by NIST.
• Follows XML syntax.
• Enhances interpretability of data.
• Allows extensibility.

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MatML Structure
ltMatML_docgt ltMaterialgt
ltBulkDetailsgt lt/BulkDetailsgt
ltComponentDetailsgt ...
lt/ComponentDetailsgt . .
. . lt/Materialgt lt/MatML_docgt

• Root of schema
• MatML_Doc.
• Has one or more instances
• of Material element.
• Each has the foll. elements
• with sub-elements attributes.
• Bulk Details
• Component Details
• Metadata
• Graphs
• Glossary

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Data Storage using MatML

• Tags describe entities in Materials Science.
• Nesting describes relationships between
  entities.
• Semantics of data represented.
• Generic to Materials Science domain.

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Motivation for Extension

• Entities in Quenching Process.
• Quenchant, Part Surface, Quenching Conditions.
• These have attributes or properties.
• e.g. Viscosity is an attribute of Quenchant.
• MatML schema not sufficient to store data on
  these.
• Hence the need to capture the semantics of Heat
  Treating / Quenching through extension.

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Issues in Extending Domain Specific Markup
Languages

• Representing domain semantics Data models.
• Identifying needs of potential users Domain
  expert interviews.
• Ontological considerations E.g., synonyms.
• Designing the schema XML constraints etc.
• Revising the schema Based on critical reviews.

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Modeling based on Semantics
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Interviews Needs identified

• Some data in quenching has to be stored in
  conjunction with basic materials information.
• Example Consider a part undergoing quenching.
• Material properties of part, e.g., Component
  Details.
• Quenching process parameters, e.g., Part Surface.
• Hence the proposal for a Quenching element to
  be part of a MatML document, at the same level as
  the Material element.
• Note Storage efficiency is the reason for
  extending MatML rather than developing a new
  QuenchML.

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Ontology determined after Interviews

• Components of the ontology
• Quenching the process of rapid cooling.
• Quenchant cooling medium (oil, water, gas etc.)
• PartSurface material undergoing rapid cooling.
• Manufacturing details such as stamping and
  welding.
• QuenchConditions agitation, temperature etc.
• Results e.g., cooling rate, distortion, heat
  transfer coefficient.
• Graphs cooling curves, cooling rate curves, heat
  transfer curves.
• Synonyms
• Several terms mean the same, e.g., Part, Probe,
  Work-piece all refer to one entity. Design
  ontology accordingly.

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Schema High Level Tag Set
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Schema Placement of Element

• Within MatML_Doc
• in MatML schema.
• Same level as the
• Materials element.
• This enables cross-referencing between
  Quenching and Material elements.

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Schema Interpretability of Data

• Understanding meaning of stored data
• With reference to context,
• Without other documentation.
• Domain experts input crucial
• To decide how they want users to interpret data.
• Examples
• Cooling Rate stored specifically at different
  locations.
• Cooling Uniformity general inference about the
  experiment.
• Quenchant, part and conditions details should be
  stored before the results and graphs.

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Detailed Schema Partial Snapshot
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XML Schema Constraints

• Sequence constraint to declare a list of
  elements in order, e.g.,
• ltxsdelement nameQuenchinggt
• ltxsdcomplexTypegt
• ltxsdsequencegt
• .
• ltxsdelement nameQuenchConditionsgt ..
  lt/xsdelementgt
• ltxsdelement nameResults/gt ..
  lt/xsdelementgt
• lt/xsdsequencegt
• lt/xsdcomplexTypegt
• lt/xsdelementgt
• Disjunction constraint to declare mutually
  exclusive elements, e.g.,
• ltxsdelement nameManufacturinggt
• ltxsdcomplexTypegt
• ltxsdchoicegt
• ltxsdelement refCasting/gt

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XML Schema Constraints (Contd.)

• Key constraint to declare a primary key on an
  element or attribute, i.e., it must have unique
  values cannot have null values, e.g.,
• ltxsdelement nameQuenchantgt
• ltxsdcomplexTypegt
• ltxsdattribute name id type xsdID use
  required/gt
• .
• lt/xsdcomplexTypegt
• lt/xsdelementgt
• Occurrence constraint to declare the minimum and
  maximum occurrences of an element. , e.g.,
• ltxsdelement nameCooling Rate minOccurs8
  maxOccursunboundedgt
• ..
• lt/xsdelementgt
• ltxsdelement nameGraphs minOccurs0
  maxOccurs3gt
• ..
• lt/xsdelementgt

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XQuery for Retrieval of Data

• Schema designed to facilitate retrieval using
  XQuery.
• Issues
• XQuery is case-sensitive. Encourage users to
  store data in a case-sensitive manner to ensure
  correct retrieval.
• Introduce additional tags if needed to assist
  querying and provide good readability, by
  anticipating typical user queries.
• ltQuenchantgt
• ltNameDetailsgt
• ltManufacturergt lt/Manufacturergt
• ltTypegt
• ltSubtypegt lt/Subtypegt
• lt/Typegt
• lt/NameDetailsgt
• ltPropertyDetailsgt .. lt/PropertyDetailsgt
• lt/Quenchantgt

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Conclusions

• Quenching Element proposed at CHTE as an
  extension to MatML, the Materials Science Markup
  Language (developed by NIST).
• Ontology and schema developed. Schema revision
  ongoing based on discussions with domain experts
  and standards bodies (NIST).
• Issues in extending domain-specific markup
  languages considered. More issues may emerge.
• Propose to incorporate this as a standard within
  the original MatML, to include Heat Treating
  semantics.
• Useful application of XML in the Heat Treating
  domain.