#  Executive Summary

This document (DI .3 Data Management Plan) is a deliverable of the ADVANCE
project, which is funded by the European Union's H2020 through Clean Sky 2
Programme under Grant Agreement Number 820647. The objective of this project
is to experim _entally d_ ete _rTnine_ critical temary ph _ose_ data for
several key systems and to incorporate

this information into aa existing TiAl thermodynamic database. At the
completion Df this project, the next

generation of pdvanced CALPHAD databases will be available for TiAl alloys
which are promising in the

manufacture of lightweight turbine engine components.

The project is divided into six work packages (WPs), which can be categorized
generally as being:

managerial (WP 1)  alloy production (WP2)  experimental analysis (WP3, WP4
WP5)  assessment and implementation (WP6)

The WPs jointly address the overarching goals of the work plan, which are to
produce high purity alloy samples (WP2) thaL are used to generate reliable
experimental data for key TiAl systems (WP3 to WP5) and then assess the data
and implement it into the existing CALPHAI) datehase (WP6).

WPs 2, 3, 4, 5 will generate experimental data such as compositions of
coexisting phases, phase fractions, transforrnation temperatures, lattice
constants and so forth, but also the associated metadata. Further information
on experimental data formats will be provided in the future updated data
management plan. Various experimental data/information from WP3, WP4 and WP5
can be directly or indireckly used in therrrodynamic assessment and database
development (WP6). Data will a'so be generated by CALPHAD optimazation within
WP6. This data constitutes optimized parameters which enter model expressions
describing the Gibbs free energy of individual phases. lime data (i.e
optirnized parameters) will be stored in the so-called TDB file, which is an
established standard used by the CALPHAD comrnunity.

#  Data Management and Responsibility 1 .1 DMP '"terna' Consortium Policy

The data management plan (DMP) contains information concerning how data are
organized, saved, made accessible and preserved during the entire project and
following the compietion of the project. The m,'1P is a living document and
will be updated as the implementation of the project progresses or when
significant changes occur.

Among the consortium partners, it's decided to store and share the necessary
experimental data in the repository provided either by HZG or by MPG through
GWDG up to five years after the end of the project. One imponant factor to
assess which option to use is that the Topic Manager (MTU) can access the
repository. The data integrity including backup and longtime archiving
infrastructure (data recovery' data security) is managed by the chosen
platform. Each partner has established regulations and procedures for curation
and preservation of the data, and will take fulZ responsibility for individual
dataset preservaLion of respective work package.

It's intended to make experimental data publicly available as (peer-reviewed)
by the consortium partners.  All partners are committed to open access
policies. Archiving of the arising peer-reviewed papers and the data
underlined in the corresponding publication will be undertaken in the open
access repository ZENODO. Experimental data will become published and be put
into an open access repository, as long as it doesn't interfere with any
partners who need to keep the data confidential for the purpose of
exploitation. Approval from each parmer and the Topic Manager (MTU) is
compulsory before any actions on publishing or external sharing of data. TCSAB
will be the sole ovvner of all data generated within WP6 by CALPHAD
optimization and of the resulting TDB -files, i.e. CALPHAD databases. This
means all data including metadata generated within WP6 are confidential.
Within the consortium, the terms and conditions on internal access rights for
use of the CALPHAD databases are stipulated in the Grant Agreement, the
Consortium Agreement and the Implementation Agreement.

##  1.2 Data Management Responsible

The overall data management within the project is coordinated by TCSAB. Each
ADVANCE pa.ltner has to respect the policies set out in the DMP. The Topic
Manager (MTU) has the responsibility to supervise the activities on making and
performing the DMP. All consortium partners and the Topic Manager will take
part in the management of the pmject results which requires decisions on the
preservation, maintenance, and sharing of the data, etc.

Datasets are going to be created, managed and stored appropriately as the
implementation of the project progresses. Dr. Anders Engström is nominated to
be the Project Data Contact (PDC), who is responsible for coordination of the
overall data management. Each work package leader will act as Dataset
Responsible (DR) and ensure the respective dataset integrity and compatibility
for its internal and external use. Uploading of datasets and metadata, updates
and management of the different versions is the responsibility of the
respective DR. Table. 1 here presents the datasets and the corresponding
responsible WP leader.

Table. 1 List of work package leaders  
  
<table>  
<tr>  
<th>

Name of the WP Leader

</th>  
<th>

Affiliation

</th>  
<th>

Email

</th>  
<th>

Dataset  l  )

</th> </tr>  
<tr>  
<td>

WPI: Dr. Anders

</td>  
<td>

TCSAB

</td>  
<td>

anders@thermocalc.com

</td>  
<td>

</td> </tr>  
<tr>  
<td>

WP2: Dr. Martin Palm, Dr. Frank Stein

</td>  
<td>

MPIE

</td>  
<td>

m.palm@mpie.de

f.stein@mpie.de

</td>  
<td>

EPMA

</td>  
<td>

ICP

</td> </tr>  
<tr>  
<td>

WP3: Dr. Martin Palm, Dr. Frank Stein

</td>  
<td>

MPIB

</td>  
<td>

m.palm@npie.de

f.stein@mpie.de

</td>  
<td>

SEM

</td>  
<td>

XRD

</td>  
<td>

DSC

</td> </tr>  
<tr>  
<td>

WP4: Prof. Dr. Florian Pyczak

</td>  
<td>

HZG

</td>  
<td>

florian.pyczak@hzg.de

</td>  
<td>

HEXRD

</td> </tr>  
<tr>  
<td>

WP5: Ass. Prof. Dr. Svea Mayer

</td>  
<td>

MUL

</td>  
<td>

svea.mayer@unileoben.ac.at

</td>  
<td>

TEM

</td>  
<td>

3D-APT

</td> </tr>  
<tr>  
<td>

WP6: Dr. Yang Yang

</td>  
<td>

TCSAB

</td>  
<td>

yang@thermocalc.com

</td>  
<td>

</td> </tr> </table>

l) Not all data in each dataset are to be open to third parties or the general
public. This is elaborated in section 1.1 of this Drw.

2) This dataset is confidential which is described in section 1.1 of this
DNfP.

###  1.3 Data nature, link with previous data and potential users

The detailed information on data nature will be elaborated in a future version
of the DMP.

The potential users of the generated data are believed to be universities,
institutions, or research centres investigating thermodynamics of alloys as
well as indusfries interested in development ofnew TiAI-based alloysi

##  1.4 Data Summary

Table. 2 show a summary of the different datasets. Full details can be
expected in future versions of the DMP as the project progresses.

Table. 2 Summar of the datasets  
  
<table>  
<tr>  
<th>

WP number

</th>  
<th>

Dataset

</th>  
<th>

Purpose of the data generation

</th>  
<th>

Format and expected size

</th> </tr>  
<tr>  
<td>

2

</td>  
<td>

EPMA

</td>  
<td>

Full chemical analysis of the alloys for homogeneity and impurity contents

</td>  
<td>

TBE

</td> </tr>  
<tr>  
<td>

ICP

</td> </tr>  
<tr>  
<td>

3

</td>  
<td>

SEM

</td>  
<td>

Determination of phases and phase fractions, calorimetric data, compositions
of coexisting phases, transition temperatures

</td>  
<td>

TBE

</td> </tr>  
<tr>  
<td>

</td> </tr>  
<tr>  
<td>

DSC

</td> </tr>  
<tr>  
<td>

4

</td>  
<td>

HEXRD

</td>  
<td>

Determination of phase constitution and phase transitions of the alloys as
well as crystallographic phase information

</td>  
<td>

TBE

</td> </tr>  
<tr>  
<td>

5

</td>  
<td>

TEM

</td>  
<td>

Determination ofthe phases and phase fractions in small amounts using TEM;
chemical analysis of the phases present at the atomic level; measurement of
alloying element distributions and analysis of fine precipitates via 3D-APT

</td>  
<td>

TBE

</td> </tr>  
<tr>  
<td>

3D-APT

</td> </tr>  
<tr>  
<td>

6

</td>  
<td>

TDB l)

</td>  
<td>

Used in combination with the appropriate simulation software, the databases
will contribute to the ability to decrease costs and development time for TiAl
alloy design.

</td>  
<td>

TDB format in MB range

</td> </tr> </table>

1) This dataset is confidential which is described in section 1.1 of this DNR.
TCSAB is going to commercially exploit and license the generated CALPHAD
databases to customers.

#  FAR Data

Raw experimental data usually have quite varying formats depending on the used
equipment, i.e. vendor specific formats. Evaluated experimental data will
usually have standard formats such as txt, doc, pdf, xlsx, tif, jpeg, which
will be readable and editable using e.g. standard Microsoft products (Word,
Excel...). No standard naming conventions exist for the obtained experimental
data. Samples will be assigned disünctive codes according to their
compositions and heat freatments. These codes are logically used as names for
the data files stored in the repository, which will be coincident with the
corresponding sample labels in publications.

The data of a sufficient high quality will be made publicly available as
publications to be of value to other researchers. The consortium ensures open
access to all peer-reviewed scientific publications together with the
underlined data.

The published data will be available in perpetuity for use by researchers to
confirm the quality. The arising publications and the data underlined in the
corresponding paper will be uploaded in the open access repository ZENODO,
within six months of publication. Upload to Zenodo automatically assigns a DOI
persistent identifier to the dataset/item, and handles version control, in
case datasets will be updated. The published experimental data can be re-used
by everyone without any kind of licensing.

The generated experimental data can be made available on request to third
parties with qualified interest or the general public only after publication.

TCSAB intends to make the developed CALPHAI) databases commercially available,
i.e. to offer existing as well as new customers the possibility to acquire a
license for use. The generated CALPHAD databases are readable in Thermo-Calc
and DICTRA software.

#  Allocation of resources

The corresponding costs for open access publications will be covered by the
project's overhead. The published experimental data will be available in
perpetuity for the general public. It's possible to share the experiment data
within the consortium up to five years after the end of the project.

#  Data security

Each partner has policies in place for data security and procedures for backup
and recovery. Furthermore, the platform (either provided by HZG or by MPG
through GWDG) that will be selected for internal data sharing within the
consortium will provide further backup and long-time archiving of generated
data.

For the data to be shared with the general public, the data integrity
including backup and longtime archiving infrastructure (data recovery, data
security, etc.) is available at https://help.zenodo.org/.

#  Ethical aspects

6\. Other issues