MICRO LIB A LIBRARY OF 3D MICROSTRUCTURES GENERATED FROM 2D MICROGRAPHS USING SliceGAN Steve Kench1 Isaac Squires1 Amir Dahari1 and Samuel J. Cooper1

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MICROLIB: A LIBRARY OF 3D MICROSTRUCTURES
GENERATED FROM 2D MICROGRAPHS USING SliceGAN
Steve Kench 1, Isaac Squires 1, Amir Dahari 1, and Samuel J. Cooper 1
1Dyson School of Design Engineering, Imperial College London, London SW7 2DB
ABSTRACT
3D microstructural datasets are commonly used to define the geometrical domains used in finite element
modelling. This has proven a useful tool for understanding how complex material systems behave under
applied stresses, temperatures and chemical conditions. However, 3D imaging of materials is challenging
for a number of reasons, including limited field of view, low resolution and difficult sample preparation.
Recently, a machine learning method, SliceGAN, was developed to statistically generate 3D microstructural
datasets of arbitrary size using a single 2D input slice as training data. In this paper, we present the results
from applying SliceGAN to 87 different microstructures, ranging from biological materials to high-strength
steels. To demonstrate the accuracy of the synthetic volumes created by SliceGAN, we compare three
microstructural properties between the 2D training data and 3D generations, which show good agreement.
This new microstructure library both provides valuable 3D microstructures that can be used in models, and
also demonstrates the broad applicability of the SliceGAN algorithm.
Background
Understanding the influence of a material’s microstructure on its performance has led to significant advancements
in the field of material science
1–3
. Computational methods have played an important role in this success. For
example, finite element analysis can capture complex stress fields during mechanical deformation of structural
materials
4,5
, and electro-chemical modelling can help to explain rate limiting factors during battery discharge
6,7
.
These simulations allow high-throughput exploration of a systems performance under a range of conditions
8,9
. In
many fields, this has enabled massive acceleration of the materials optimisation process compared to experiments
alone, and with significantly reduced cost. Importantly, 3D datasets are crucial for many applications where
2D datasets cannot be used to determine key material properties. For example, mechanical deformation, crack
propagation and tortuosity are three material characteristics that behave fundamentally differently in 3D compared
to 2D.
The fidelity of the 3D microstructural datasets commonly required for physical modelling will influence the
simulations reliability. Unfortunately, to the authors knowledge, there are no 3D material databases, with most
data instead scattered across the literature. This is likely due to the high cost and technical experience required
for 3D imaging techniques, which inhibits free sharing of data. Furthermore, where there is data available, it
is commonly of limited resolution and field of view due to the intrinsic 3D imaging constraints of techniques
such as focussed ion beam scanning electron microscopy and x-ray tomography
10
. In comparison, diverse, high
resolution 2D micrographs are abundantly available online due to the prevalence of 2D imaging techniques such
as light microscopy and scanning electron microscopy. DoITPoMS is one excellent micrograph repository with a
broad range of alloys, ceramics, bio-materials and more
11
. UHCSDB is a similar repository, focused solely on
high carbon steels
12
. ASM International has a collection of 4100 micrographs, though access costs a
$
250 yearly
subscription13.
arXiv:2210.06541v1 [cs.LG] 12 Oct 2022
KENCH et al. MICROLIB PREPRINT
In this paper, we aim to address the disparity between the availability of 2D micrographs compared to 3D. A
number of previous approaches have been developed to address this problem through dimensionality expansion,
which commonly entails statistical generation of 3D micrographs using statistics from a 2D training image.
These are typically physic based and require the extraction of particular metrics from the training data for
comparison. For example, sphere packing models using 2D particle size distributions
14
, poly-crystalline grain
growth algorithms15, and data fusion approaches16.
In this work, we use SliceGAN, a recently developed convolutional machine learning algorithm for dimensionality
expansion
17
. A typical GAN uses two convolutional networks (generator and discriminator) to learn to mimic
dataset distributions. The generator synthesises fake examples, and the discriminator identifies differences
between these fake samples and the true training data distribution. Through iterative learning, the discriminator
informs the generator how to make increasingly realistic samples that match the real training data. Importantly,
in a typical set-up, the dimensionality of the generated images and the training data match. To facilitate different
dimensionalities, SliceGAN uses a simple modification; a 3D generator network produces a sample volume,
then a 2D discriminator checks the fidelity of one slice at a time, where the 2D dimensionality of the slice
now matches the 2D dimensionality of the training images. The algorithm is described in full in the original
manuscript
17
.SliceGAN is particularly well suited to the task at hand due to a number of key features. First,
broad applicability means that the same algorithm and hyper-parameters can be used for a very diverse set of
microstructures, as demonstrated in this dataset. Second, high speed training (typically 3 hrs on an RTX6000
GPU) and generation (
<3
seconds for a 500
3
voxel volume) enables the synthesis of hundreds of large samples
for statistical experiments, as well as the generation of volumes far larger than it is currently possible to obtain
directly through imaging (
>20003
voxel). Third, complete automation of the 2D to 3D algorithm is possible
with no user defined inputs, such as statistical features, being required. This combination of strengths makes
SliceGAN an excellent candidate for building the first large scale 3D microstructural database from existing
open-source 2D data.
The benefits of this database are twofold. First, we provide a diverse 3D microstructural dataset which can be
used by the material science community for modelling purposes. Crucially, users are not limited to the single
example cube we provide, as each data entry also has an associated trained generator neural network (45 Mb
in size) available to download. This can be used to synthesise arbitrary size datasets by cloning the SliceGAN
repo and running the relevant scripts (see methods). The second important function of this database is as a
demonstration to the material science community of the strengths of SliceGAN. The entries we provide are
diverse in their nature, and contained in an easily searchable website. Interested researchers can thus use this
website to check whether SliceGAN works on materials in their research field, and see examples of generated
outputs. This encourages the submission of more entries to the database, and the further use of SliceGAN in the
field of computational materials. The key data processing steps and datasets are presented in Figure 1.
Methods
As shown in Figure 1, the database construction required several distinct steps. First, a subset of micrographs
were selected using a set of exclusion criteria. A number of simple pre-processing operations were then applied
to ensure suitability for the SliceGAN workflow. An automated in-painting method was used to remove scale
bars from the micrographs; compared to a cropping approach, this saves crucial data in an already extremely
data-scarce setting. Finally, the resulting micrographs are used to train SliceGAN generators, each of which was
used to generate an example
3203
cubic volume. Each of these steps can be reproduced by cloning the MicroLib
repository and running main.py in the relevant modes, as described in the repository README.
Exclusion criteria
DoITPoMS includes 818 diverse micrographs which can easily be downloaded directly from their website.
However, not all are suitable for SliceGAN, which has a number of limitations. As such, the following exclusion
criteria are applied to leave 87 feasible microstructures:
1.
Microstructure isotropy – SliceGAN can be used for some anisotropic microstructures, but this mode
requires multiple perpendicular micrographs which are not available from DoITPoMS.
2
摘要:

MICROLIB:ALIBRARYOF3DMICROSTRUCTURESGENERATEDFROM2DMICROGRAPHSUSINGSliceGANSteveKench1,IsaacSquires1,AmirDahari1,andSamuelJ.Cooper11DysonSchoolofDesignEngineering,ImperialCollegeLondon,LondonSW72DBABSTRACT3Dmicrostructuraldatasetsarecommonlyusedtodenethegeometricaldomainsusedinniteelementmodelling...

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