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  <front>
    <journal-meta>
      <journal-title-group>
        <journal-title>Goa, India, Feb</journal-title>
      </journal-title-group>
    </journal-meta>
    <article-meta>
      <title-group>
        <article-title>A Model Driven Framework for Integrated Computational Materials Engineering</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Prasenjit Das</string-name>
          <email>prasenjit.d@tcs.com</email>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Raghavendra Reddy Yeddula</string-name>
          <email>raghavendrareddy.y@tcs.com</email>
          <xref ref-type="aff" rid="aff2">2</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Sreedhar Reddy</string-name>
          <email>sreedhar.reddy@tcs.com</email>
          <xref ref-type="aff" rid="aff1">1</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Tata Consultancy Services Limited</institution>
          ,
          <addr-line>Kolkata</addr-line>
          ,
          <country country="IN">India</country>
          ,
          <addr-line>+91-33-66884653</addr-line>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>Tata Consultancy Services Limited, TRDDC</institution>
          ,
          <addr-line>Pune</addr-line>
          ,
          <country country="IN">India</country>
          ,
          <addr-line>+91-20-66086302</addr-line>
        </aff>
        <aff id="aff2">
          <label>2</label>
          <institution>Tata Consultancy Services Limited, TRDDC</institution>
          ,
          <addr-line>Pune</addr-line>
          ,
          <country country="IN">India</country>
          ,
          <addr-line>+91-20-66086334</addr-line>
        </aff>
      </contrib-group>
      <pub-date>
        <year>2016</year>
      </pub-date>
      <volume>18</volume>
      <issue>2016</issue>
      <fpage>27</fpage>
      <lpage>32</lpage>
      <abstract>
        <p>Integrated computational materials engineering (ICME) is a new approach to the design and development of materials, manufacturing processes and products. The approach proposes using a combination of modeling and simulation, data driven reasoning and knowledge guided decision making to a) speed up the development of new materials and manufacturing processes, and b) enhance the quality and time-to-market of products by integrating material design with product design. However industrialization of this approach requires strong automation support. Modeling and simulation is a highly knowledge intensive activity and integrated design requires knowledge cutting across several design domains. For the industrialization vision to succeed, it is essential to capture this knowledge and make it available in a usable form for people not so skilled in these areas. With this motivation, we are building a comprehensive computational platform to support this emerging design paradigm. The platform is built on model driven engineering principles. We present some of the key ideas of the platform, discuss the modeling challenge involved and present the modeling framework we have developed to address this challenge. We also briefly discuss how model driven techniques have been employed to automate some of the key aspects.</p>
      </abstract>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>Categories and Subject Descriptors</title>
      <sec id="sec-1-1">
        <title>Computing methodologies → Modeling</title>
      </sec>
    </sec>
    <sec id="sec-2">
      <title>General Terms</title>
    </sec>
    <sec id="sec-3">
      <title>1. INTRODUCTION</title>
      <p>A material’s properties such as its tensile strength, hardness, fatigue
life, etc., are a result of its internal structure called microstructure.
A material’s microstructure depends not only on the chemical
composition of the material but also on the processes it is subjected
to. Materials engineers play with variations in chemical
compositions, processes and process parameters in order to achieve
required microstructure that gives rise to the desired properties.
However these relationships are not well understood. As a result, a
Copyright © 2016 for the individual papers by the papers' authors.
Copying permitted for private and academic purposes. This volume is
published and copyrighted by its editors.
lot of trial and error and experimentation goes into designing a
material. It takes anywhere between 10 to 20 years for a new
material to find its way from research stage to industrial usage.
Lack of integration between material design and product design is
another problem. A product designer has limited visibility into the
internal structure of the material and how that structure changes
during a manufacturing process. Hence there is considerable
uncertainty as to what final properties the material ends up with. To
overcome this, product designers typically fall back on tried and
tested materials and build in extra margin of safety into their
designs.</p>
      <p>
        There is a new design paradigm called integrated computational
materials engineering (or ICME for short) [
        <xref ref-type="bibr" rid="ref1 ref2">1, 2</xref>
        ] that tries to address
these issues through a computational design platform. ICME
supports integrated design of materials, products and
manufacturing processes. It uses modeling and simulation,
knowledge guided decision making and data-driven reasoning for
a systematic exploration of the design space. ICME is widely
recognized as a paradigm changer that is expected to significantly
reduce the dependence on trial and error based experimentation
cycles. This is expected to result in a) faster development of new
materials, and b) significant improvement in quality and
time-tomarket of products by integrating material design with product
design. However, industrialization of this approach has many
roadblocks to overcome [
        <xref ref-type="bibr" rid="ref3">3</xref>
        ]. Modeling and simulation is a highly
knowledge intensive activity. Models exist at multiple length
scales. In an integrated design, one has to worry about a multitude
of phenomena. Choosing right models for these phenomena, at
right scales, with right parameters, and ensuring integration across
these models is a non-trivial task. Without strong automation
support, scaling up ICME is going to be a difficult problem.
With this motivation, we are developing an IT platform called
PREMΛP [
        <xref ref-type="bibr" rid="ref4 ref5">4, 5</xref>
        ] at Tata Consultancy Services. Our goal is to use
this platform to industrialize the benefits of the ICME approach,
with a special focus on integrated design of products and materials.
In view of the vast diversity of material systems and
component/product application categories, the platform consists of
a set of domain dependent and domain-independent components as
shown in Figure 1.
      </p>
      <p>On the right side of the figure are the components that are domain
dependent and those on the left are domain independent. A domain
may refer to a material category with associated manufacturing
processes and/or a product category. Domain specific components
include models of various kinds, design templates, design rules,
design cases, etc. Domain independent infrastructure includes,
among other things, (a) knowledge engineering framework for
Robust Design &amp; MDO</p>
      <sec id="sec-3-1">
        <title>Decision Support</title>
      </sec>
      <sec id="sec-3-2">
        <title>Knowledge Engineering</title>
      </sec>
      <sec id="sec-3-3">
        <title>Informatics and Soft Computing</title>
        <sec id="sec-3-3-1">
          <title>PREMɅP</title>
        </sec>
      </sec>
      <sec id="sec-3-4">
        <title>Guided Experimentation</title>
      </sec>
      <sec id="sec-3-5">
        <title>System Engineering Approaches</title>
      </sec>
      <sec id="sec-3-6">
        <title>IT Enabled Integration</title>
      </sec>
      <sec id="sec-3-7">
        <title>Product Design</title>
      </sec>
      <sec id="sec-3-8">
        <title>Product Performance</title>
      </sec>
      <sec id="sec-3-9">
        <title>Manufacturing Process</title>
      </sec>
      <sec id="sec-3-10">
        <title>Materials Modeling</title>
      </sec>
      <sec id="sec-3-11">
        <title>Cost Modeling</title>
      </sec>
      <sec id="sec-3-12">
        <title>Data &amp; Knowledge Bases</title>
        <p>knowledge management, (b) simulation services framework for
simulation execution and simulation tool integration, (c) tools for
robust design and multidisciplinary optimization techniques
(MDO), (c) decision support tools (e.g., the compromise decision
support problem construct), and (d) design of experiments and
combinatorial experimentation tools to drive both simulation and
experimental studies.</p>
        <p>Building all these capabilities into the platform in an integrated
manner requires a unifying semantic foundation. Domain ontology
provides such a foundation. It serves as the common substrate for
integrating different models. It serves as a means for capturing and
organizing knowledge. However, ontology varies from subject to
subject, and, being a generic platform, PREMΛP has to cater to a
wide range of subjects. For instance, ontology of steel is different
from ontology of a composite material. This calls for a flexible
ontology engineering framework that enables us to create and
evolve subject specific ontologies without hard coding them into
the platform. We use model driven techniques to engineer such a
framework. In this paper we present the modeling framework
underlying the PREMΛP architecture and give a brief overview of
some of the aspects automated using model driven techniques.</p>
      </sec>
    </sec>
    <sec id="sec-4">
      <title>2. PREMΛP Modeling Framework</title>
      <p>PREMΛP uses a reflexive modeling framework to bootstrap its
modeling infrastructure.</p>
    </sec>
    <sec id="sec-5">
      <title>2.1 Reflexive Modeling Framework</title>
      <p>
        An information system can be seen as a collection of parts and their
relationships. A model of an information system is a description of
these parts and relationships in a language such as UML [
        <xref ref-type="bibr" rid="ref9">9</xref>
        ]. The
modeling language itself can be described as a model in another
language. The latter language is the meta-model for the former as
shown in Figure 2.
      </p>
      <p>
        We use a reflexive modeling language [
        <xref ref-type="bibr" rid="ref7">7</xref>
        ] that is compatible with
OMG MOF [
        <xref ref-type="bibr" rid="ref8">8</xref>
        ] to define models at all levels. A model at each level
is an instance of the model at the previous level. The model at level
1, the meta meta-model, is an instance of itself. The meta
metamodel shown in Figure 2 is the base model. It is the schema for
describing meta-models. The meta meta-model is capable of
describing itself, i.e., it can model itself.
      </p>
      <sec id="sec-5-1">
        <title>Level 1</title>
      </sec>
      <sec id="sec-5-2">
        <title>Level 2</title>
        <p>meta meta model
meta model
instanceOf
instanceOf
instanceOf</p>
      </sec>
      <sec id="sec-5-3">
        <title>Level 3</title>
      </sec>
      <sec id="sec-5-4">
        <title>Information System or User model</title>
        <p>
          Every thing in a model is an object. An object is described by its
class. A class is specified in terms of a set of attributes and
associations. An object is an instance of a class that has attribute
values and links to other objects as specified by its class. Since
everything is an object, a class is also an object. A class is specified
by another class called metaclass. In Figure 3, the class ‘class’ is a
metaclass which is an instance of itself. Any class that inherits from
the class ‘class’ is also a metaclass. A meta model specification
consists of a model schema, which is an instance of the meta
metamodel, and a set of constraints and rules to specify consistency and
completeness checks on its instance models. Due to the reflexive
nature of the meta-meta-model, there is no inherent limit on the
number of modeling layers that can be supported. We use OCL [
          <xref ref-type="bibr" rid="ref10">10</xref>
          ]
to specify well-formed-ness constraints over models. Cardinality
and optionality constraints are supported by the reflexive model
itself. We use an industrial-strength relational database as a storage
mechanism for managing large scale models. Storage schema
reflects the structure of models.
        </p>
      </sec>
    </sec>
    <sec id="sec-6">
      <title>2.2 Ontology Modeling Framework</title>
      <p>In PREMΛP, ontologies can be classified into a set of subject areas,
such as materials, products, manufacturing processes, etc. Each
subject area contains ontologies of subjects that belong to that area.</p>
      <p>Association
srcRoleName : String
tgtRoleName : String
srcCard : String
tgtCard : String
isSrcOwner : Boolean
isTgtOwner : Boolean
0..*
0..*
Class
0..*</p>
      <p>1 type
For instance, materials subject area contains ontologies of steel,
composite materials, etc. In the context of PREMΛP, while we
know the subject areas we want to support, upfront we do not know
all the specific subjects that we want to support. That depends on
the problems we want to solve on the platform, which is open
ended. So we cannot hard-code subject specific ontologies into the
platform. Instead they should be treated as first-class entities – i.e.
it should be possible to create, modify and delete them on a need
basis. To address this, we have conceptualized domain models at
two ontological levels - a meta level and a subject level, as shown
in Figure 4.</p>
      <p>As mentioned above, models in ICME can be broadly categorized
into three subject areas - materials, products and processes.
Corresponding to these subject areas we have three related meta
models -- materials meta model, products meta model and process
meta model. Essentially, a meta model can be viewed as defining a
language for a subject area, using which subjects in that area can be
described. For instance, materials meta model provides the
language to describe materials. Subject specific ontologies are
created as instances of these meta models. For instance, steel
ontology is created as an instance of the materials meta model, gear
ontology is created as an instance of the products meta model, and
so on.</p>
      <p>We illustrate this with an example. Figure 5 shows a part of the
component meta model, which is a part of the products meta model.
A component has a geometry and a set of functional and geometric
features. These features may be described in terms of a set of
component
0..*</p>
      <p>0..*
material
0..1 component
0..1 geometry</p>
      <sec id="sec-6-1">
        <title>Geometry</title>
      </sec>
      <sec id="sec-6-2">
        <title>Material parameters. A component may be made from one or more materials; similarly different geometric features of the component may be made from different materials.</title>
        <sec id="sec-6-2-1">
          <title>Meta level</title>
        </sec>
      </sec>
      <sec id="sec-6-3">
        <title>Steel</title>
        <sec id="sec-6-3-1">
          <title>Subject level</title>
        </sec>
      </sec>
      <sec id="sec-6-4">
        <title>Material</title>
      </sec>
      <sec id="sec-6-5">
        <title>Process</title>
      </sec>
      <sec id="sec-6-6">
        <title>Product</title>
      </sec>
      <sec id="sec-6-7">
        <title>Gear</title>
        <p>Component Meta Model</p>
        <p>This layered modeling architecture provides two benefits:
1) It provides a means to organize domain knowledge
systematically. Knowledge that is applicable across all subjects of
a subject area is captured at the meta model level; knowledge that
is specific to a design subject is captured at the subject model level;
and knowledge that is very specific to a design instance is captured
at the instance model level. To give a trivial example, with
reference to the meta model in Figure 4, we have a constraint that
says that the materials used for a geometric feature of a component
must be a subset of the materials allowed for the component. This
applies to all types of components. Similarly, taking an example at
the subject model level, we may have a rule that specifies what type
of forging process to use for a gear. This applies to all gear design
instances. Thus we could capture knowledge at different levels
across different subject areas. This knowledge can be used not only
to guide a designer in making right decisions, but also to ensure
integration across design domains.
2) It lends extensibility to the platform, by enabling new subjects
to be created as instances of meta models. For instance, to extend
the platform to support the design of composite materials, we create
composites ontology as an instance of the materials meta model.
Similarly to support the design of an engine block, we create engine
block ontology as an instance of the products meta model. Subject
specific ontologies thus become first class entities in the platform.</p>
      </sec>
    </sec>
    <sec id="sec-7">
      <title>3. Model Driven Engineering in PREMΛP –</title>
    </sec>
    <sec id="sec-8">
      <title>A Few Examples</title>
      <p>Model driven engineering is used extensively to automate various
aspects within the platform. We give a brief overview of a few of
these.
3.1</p>
    </sec>
    <sec id="sec-9">
      <title>Simulation Tool Integration</title>
      <p>
        A design workflow consists of design of several process steps such
as forging, machining, carburization, quenching, tempering, etc.
Each of these processes has its own simulation model. In integrated
design simulation, these models have to be simulated in an
integrated manner, with right information flowing from one model
to the other [
        <xref ref-type="bibr" rid="ref3 ref6">3, 6</xref>
        ]. This is done by mapping the inputs and outputs
of each simulation tool to the domain ontology, as shown in Figure
7.
      </p>
      <sec id="sec-9-1">
        <title>Domain Ontology (Meta)</title>
      </sec>
      <sec id="sec-9-2">
        <title>Mapping</title>
      </sec>
      <sec id="sec-9-3">
        <title>Mapping</title>
      </sec>
      <sec id="sec-9-4">
        <title>Tool specific data view</title>
      </sec>
      <sec id="sec-9-5">
        <title>Tool specific data view</title>
        <p>input
output
input
output</p>
      </sec>
      <sec id="sec-9-6">
        <title>Simulation Tool 1</title>
      </sec>
      <sec id="sec-9-7">
        <title>Simulation Tool 1</title>
        <p>It is then possible to validate a process chain for information
integrity by checking that right information is flowing to the right
process step. From these mappings it is also possible to generate
input/output adapters for plug-and-play integration of simulation
tools. These mappings are specified at the meta model level. As a
result, once a tool is integrated into the platform, there is no need
to write separate adapters for each subject separately. For instance,
once a finite element simulation tool is integrated at the meta level,
we don't have to write separate adaptors for gear simulation, clutch
simulation, etc.</p>
      </sec>
    </sec>
    <sec id="sec-10">
      <title>3.2 Data Layer Automation and</title>
    </sec>
    <sec id="sec-11">
      <title>Virtualization</title>
      <p>Data of different subject areas might be stored in different physical
stores. Depending on volumes, data characteristics and
performance requirements, different storage mechanisms, such as
relational database, object databases, graph databases etc., might be
better suited for different subject areas. The architecture should be
flexible enough to support different storage mechanisms and to
change them on a need basis. We use model driven generation to
achieve this flexibility. The architecture should also provide a
uniform data access interface. As shown in Figure 8, we map our
domain ontology to data models of physical storage structures.
These mappings are specified at the meta model level. From these
mappings we generate a data access layer. Interfaces remain
uniform as they are defined in terms of the domain ontology; only
the implementations change according to the storage technologies.</p>
    </sec>
    <sec id="sec-12">
      <title>3.3 User Interface Generation</title>
      <p>A design workflow may contain multiple screens for user
interaction. We generate these screens using model driven
techniques. These screens are defined for specific subject models
and get their data from corresponding instance models. The data
view of the screens are encoded using screen specific view models.
There is a two-way synchronization between the screen elements
and the view model. Whenever view model changes, the screen is
updated and whenever user specifies some values in screen
controls, the view model is updated. The interaction between the
screens and the database is performed through PREMΛP platform
services. The view model elements are mapped to the service
messages, which are defined using subject ontology elements. The</p>
      <sec id="sec-12-1">
        <title>Data Access</title>
      </sec>
      <sec id="sec-12-2">
        <title>Domain Ontology (Meta)</title>
      </sec>
      <sec id="sec-12-3">
        <title>Model Mapping</title>
      </sec>
      <sec id="sec-12-4">
        <title>Physical Data Model</title>
      </sec>
      <sec id="sec-12-5">
        <title>Database Model Compiler Data</title>
        <p>Access
Layer
input messages for the services are constructed from the mapped
view models. The view models are updated in response to the
output messages from the services. The relations between
PREMΛP services, subject model, view model and the screen
elements are shown in Figure 9. GUI screen implementations are
generated from these models.</p>
      </sec>
      <sec id="sec-12-6">
        <title>Platform</title>
        <p>Service
has
definedUsing</p>
      </sec>
      <sec id="sec-12-7">
        <title>Subject Ontology Elements</title>
      </sec>
      <sec id="sec-12-8">
        <title>Message</title>
      </sec>
      <sec id="sec-12-9">
        <title>Mapping</title>
      </sec>
      <sec id="sec-12-10">
        <title>View Model</title>
      </sec>
      <sec id="sec-12-11">
        <title>Mapping</title>
      </sec>
      <sec id="sec-12-12">
        <title>Screen Elements</title>
        <p>Specific Screen</p>
      </sec>
    </sec>
    <sec id="sec-13">
      <title>3.4 Data Integration</title>
      <p>
        Data integration techniques are used in PREMΛP to utilize
available information about the materials or processes. The data
sources may include laboratory databases, factory floor databases,
or third party proprietary data. These data sources are individually
mapped to subject model ontology using Global-as-view (GAV)
[
        <xref ref-type="bibr" rid="ref15 ref16">15, 16</xref>
        ] or Local-as-view (LAV) [
        <xref ref-type="bibr" rid="ref17">17</xref>
        ] schemes. The subject model
is treated as the unified conceptual model describing all the data
sources. A query on the subject model gets converted to a DFG
(data flow graph). The DFG is responsible for extracting data from
individual sources and suitably combining them to produce the
query result.
      </p>
      <p>Domain Ontology (Subject Model)</p>
      <p>Mapping</p>
      <p>Mapping
Lab Database</p>
      <p>Factory Database</p>
    </sec>
    <sec id="sec-14">
      <title>4. Related Work</title>
      <p>
        Model driven engineering is growing in popularity. Several large
enterprise scale applications have been developed using MDE
techniques [
        <xref ref-type="bibr" rid="ref7">7</xref>
        ]. Object management group (OMG) has developed a
number of standards in this space under its model-driven
architecture (MDA) [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ] initiative. While OMG promotes UML [
        <xref ref-type="bibr" rid="ref9">9</xref>
        ]
as the de-facto modeling standard, experience shows that a
multimodeling approach, where different purpose specific models are
used for different aspects, scales up much better in practice [
        <xref ref-type="bibr" rid="ref7">7</xref>
        ].
Especially when engineering a platform such as PREMΛP, where
a large number of diverse sets of concepts and mechanisms have to
be integrated, one needs a multi-layered modeling approach such
as the one discussed in this paper.
      </p>
      <p>
        Ontology modeling approaches such as OWL [
        <xref ref-type="bibr" rid="ref11">11</xref>
        ] are also growing
in popularity. OWL has three sublanguages: OWL Lite, OWL DL
and OWL-FULL. Of these, OWL Lite and OWL-DL only support
models at two levels. This is insufficient for an extensible platform
such as PREMΛP where subject specific ontologies are first class
entities. OWL-FULL allows a class to be an instance of another
class. However, there are no OWL Full reasoners available [
        <xref ref-type="bibr" rid="ref12 ref13">12, 13</xref>
        ].
Besides, in a platform engineering scenario, models should not only
capture domain semantics, but also various engineering aspects of
the platform. What we need is a combination of the flexibility of
model driven engineering principles and the deductive reasoning
capabilities of ontologies.
      </p>
    </sec>
    <sec id="sec-15">
      <title>5. Summary</title>
      <p>We have given an overview of a computational platform that we
are developing in the engineering design space and briefly
discussed the model-driven engineering design principles
underlying its architecture. We have identified the domain
modeling challenge and presented a modeling framework that has
been developed to address this challenge. We have also given a
brief overview of how model driven techniques have been used to
automate some of the key features. There are many other features
such as the knowledge engineering framework which have not been
discussed due to space limitation.</p>
    </sec>
  </body>
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