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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
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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
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.
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
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.
MatML Structure <MatML_doc> <Material> <BulkDetails> …………… </BulkDetails> <ComponentDetails> ……………... </ComponentDetails> …………………. …………………. …………………. …………………. </Material> </MatML_doc> • 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
Data Storage using MatML • Tags describe entities in Materials Science. • Nesting describes relationships between entities. • Semantics of data represented. • Generic to Materials Science domain.
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.
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.
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”.
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.
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.
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.
XML Schema Constraints • Sequence constraint: to declare a list of elements in order, e.g., <xsd:element name=“Quenching”> <xsd:complexType> <xsd:sequence> ………………. <xsd:element name=“QuenchConditions”> ….. </xsd:element> <xsd:element name=“Results”/> ….. </xsd:element> ……………… </xsd:sequence> </xsd:complexType> </xsd:element> • Disjunction constraint: to declare mutually exclusive elements, e.g., <xsd:element name=“Manufacturing”> <xsd:complexType> <xsd:choice> <xsd:element ref=“Casting”/> <xsd:element ref=“PowderMetallurgy”/> : </xsd:choice> ……………………. </xsd:complexType> </xsd:element>
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., • <xsd:element name=“Quenchant”> • <xsd:complexType> • <xsd:attribute name = “id” type =“xsd:ID” use =“required”/> • ………………………………. • </xsd:complexType> • </xsd:element> • Occurrence constraint: to declare the minimum and maximum occurrences of an element. , e.g., • <xsd:element name=“Cooling Rate” minOccurs=“8”maxOccurs=“unbounded”> • …………….. • </xsd:element> • <xsd:element name=“Graphs” minOccurs=“0” maxOccurs=“3”> • …………….. • </xsd:element>
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. <Quenchant> <NameDetails> <Manufacturer> </Manufacturer> <Type> <Subtype> </Subtype> </Type> </NameDetails> <PropertyDetails> …….. </PropertyDetails> </Quenchant>
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.