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Merge pull request #700 from hpcflow/citation
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Proposed citation descriptor for hpcflow
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dkfellows authored Sep 21, 2024
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# See https://citation-file-format.github.io for more info about the format
cff-version: 1.2.0
message: If you use this software, please cite it as below.

preferred-citation:
type: article
doi: 10.12688/materialsopenres.17516.1
url: https://materialsopenresearch.org/articles/2-2
title: >
A novel integrated framework for reproducible formability predictions
using virtual materials testing
journal: Materials Open Research
volume: 2
year: 2023
month: 1
abstract: >
Background: Formed aluminium alloy sheet materials are increasingly
adopted in production processes such as vehicle manufacturing, due to the
potential for weight-saving and improved recyclability when compared to
more traditional steel alloys. To maximise these benefits whilst
maintaining sufficient mechanical properties, the link between formability
and microstructure must be better understood. Virtual materials testing is
a cost-effective strategy for generating microstructure-informed
formability predictions.
Methods: We developed an open-source hybrid framework, combining
experimental and computational tasks, for generating reproducible
formability predictions. Starting with experimental texture measurements
and stress-strain curves, we calibrated crystal plasticity (CP) model
parameters. The framework used these parameters to perform a large set of
multiaxial full-field CP simulations, from which various anisotropic yield
functions were fitted. With these anisotropy parameters, we then employed
a Marciniak-Kuczyński finite-element model to predict forming limit
curves, which we compared with those from experimental Nakazima tests.
Results: We executed the workflow with the aluminium alloy Surfalex HF
(AA6016A) as a case study material. The 18-parameter Barlat yield function
provided the best fit, compared to six-parameter functions. Predicted
forming limits depended strongly on the chosen hardening law, and good
agreement with the experimental forming limit curve was found. All of the
generated data have been uploaded to the Zenodo repository. A set of
Jupyter notebooks to allow interactive inspection of our methods and data
are also available.
Conclusions: We demonstrated a robust methodology for replicable virtual
materials testing, which enables cheaper and faster formability analyses.
This complete workflow is encoded within a simple yet highly customisable
computational pipeline that can be applied to any material. To maximise
reproducibility, our approach takes care to ensure our methods and data —
and the ways in which that data is processed — are unambiguously defined
during all steps of the workflow.
authors:
# Authors of this citation
- given-names: Adam
family-names: Plowman
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0002-9781-7353
# website:
- given-names: Patryk
family-names: Jedrasiak
affiliation: University of Cambridge
# email:
orcid: https://orcid.org/0000-0001-6321-4821
# website:
- given-names: Thomas
family-names: Jailin
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0001-8580-8655
# website:
- given-names: Peter
family-names: Crowther
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0002-5430-6924
# website:
- given-names: Sumeet
family-names: Mishra
affiliation: Indian Institute of Technology Roorkee
# email:
orcid: https://orcid.org/0000-0002-9924-4894
# website:
- given-names: Pratheek
family-names: Shanthraj
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0002-6324-0306
# website:
- given-names: Joao
family-names: Quinta Da Fonesca
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0001-6063-8135
website: https://research.manchester.ac.uk/en/persons/joao.fonseca

title: "hpcflow: A Workflow Management System"
# version:
url: https://hpcflow.github.io/
authors:
# As above, but of the software itself and not the publication
- given-names: Adam
family-names: Plowman
alias: aplowman
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0002-9781-7353
- given-names: Peter
family-names: Crowther
alias: merrygoat
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0002-5430-6924
- given-names: Christopher
family-names: Fullterton
alias: cjfullerton
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0003-1306-2481
- given-names: Francisco
family-names: Herrerías-Azcué
alias: fherreazcue
affiliation: University of Manchester
# email:
orcid: https://orcid.org/0000-0002-5906-221X
contact:
# How to contact someone about the software
- address: >
University of Manchester,
Oxford Road
city: Manchester
country: GB
# email:
name: Joao Quinta Da Fonesca
post-code: M13 9PL
license: MPL-2.0
repository-code: https://github.com/hpcflow/hpcflow-new
keywords:
- "workflow management"
- "materials science"
- "high-performance computing"

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