TY - JOUR
T1 - ChemNet
T2 - A Deep Neural Network for Advanced Composites Manufacturing
AU - Goli, Elyas
AU - Vyas, Sagar
AU - Koric, Seid
AU - Sobh, Nahil
AU - Geubelle, Philippe H.
N1 - Publisher Copyright:
©
PY - 2020/10/22
Y1 - 2020/10/22
N2 - Among advanced manufacturing techniques for fiber-reinforced polymer-matrix composites (FRPCs) which are critical for aerospace, marine, automotive, and energy industries, frontal polymerization (FP) has been recently proposed to save orders of magnitude of time and energy. However, the cure kinetics of the matrix phase, usually a thermosetting polymer, brings difficulty to the design and control of the process. Here, we develop a deep learning model, ChemNet, to solve an inverse problem for predicting and optimizing the cure kinetics parameters of the thermosetting FRPCs for a desired fabrication strategy. ChemNet consists of a fully connected FeedForward 9 layer deep neural network trained on one million examples, and predicts activation energy and reaction enthalpy given the front characteristics such as speed and maximum temperature. ChemNet provides highly accurate predictions measured by the mean squared error (MSE) and by the maximum absolute error (MAE) metrics. ChemNet's performance on the "hidden"test data set had an MSE of 5.58 × 10-6 and a MAE of 1 × 10-3.
AB - Among advanced manufacturing techniques for fiber-reinforced polymer-matrix composites (FRPCs) which are critical for aerospace, marine, automotive, and energy industries, frontal polymerization (FP) has been recently proposed to save orders of magnitude of time and energy. However, the cure kinetics of the matrix phase, usually a thermosetting polymer, brings difficulty to the design and control of the process. Here, we develop a deep learning model, ChemNet, to solve an inverse problem for predicting and optimizing the cure kinetics parameters of the thermosetting FRPCs for a desired fabrication strategy. ChemNet consists of a fully connected FeedForward 9 layer deep neural network trained on one million examples, and predicts activation energy and reaction enthalpy given the front characteristics such as speed and maximum temperature. ChemNet provides highly accurate predictions measured by the mean squared error (MSE) and by the maximum absolute error (MAE) metrics. ChemNet's performance on the "hidden"test data set had an MSE of 5.58 × 10-6 and a MAE of 1 × 10-3.
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U2 - 10.1021/acs.jpcb.0c03328
DO - 10.1021/acs.jpcb.0c03328
M3 - Article
C2 - 32914620
AN - SCOPUS:85094221370
SN - 1520-6106
VL - 124
SP - 9428
EP - 9437
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
IS - 42
ER -