High-throughput prediction of stress–strain curves of thermoplastic elastomer model block copolymers by combining hierarchical simulation and deep learning

نویسندگان

چکیده

Abstract We achieved high-throughput prediction of the stress–strain (S–S) curves thermoplastic elastomers by combining hierarchical simulation and deep learning. ABA triblock copolymer with a phase-separated structure was used as elastomer model. The S–S copolymers were calculated from self-consistent field theory calculations coarse-grained molecular dynamics simulations. Because such simulations require considerable computational resources, we applied learning technique to accelerate prediction. Sets structures obtained train 3D convolutional neural network. Using trained network, confirmed that predicted untrained accurately reproduced results. These results will enable us design novel polymers desired screening wide variety structures. Graphic abstract

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

simulation and experimental studies for prediction mineral scale formation in oil field during mixing of injection and formation water

abstract: mineral scaling in oil and gas production equipment is one of the most important problem that occurs while water injection and it has been recognized to be a major operational problem. the incompatibility between injected and formation waters may result in inorganic scale precipitation in the equipment and reservoir and then reduction of oil production rate and water injection rate. ...

individual qualities and integrative motivation and their prediction of non-linguistic outcomes of learning english in intermediate iranian students: a psychological perspective

abstract this study investigated the predictability of variables from a motivational framework as well as individuals qualities to predict three non-linguistic outcomes of language learning. gardners socio-educational model with its measures has been used in the current study. individual qualities presented in this study include (1) age, (2) gender, and (3) language learning experience. the...

High-throughput Fabrication of Advanced 3d Microfluidic Devices in Thermoplastic Elastomer for Biological Probe Immobilization

We have developed a process based on hot-embossing lithography (HEL) to pattern at high-throughput micron-size through-holes in thin thermoplastic elastomer (TPE) membranes. This novel HEL process, which is shown to provide key advantages for microfluidics applications, was applied to the fabrication of highly-integrated 3D microfluidic devices designed to precisely immobilize biomolecules on t...

متن کامل

the impact of computer-assisted language learning on achievement motivation of high school students

چکیده انگیزه دلیل اصلی رفتارهای ما است. به نظر می رسد انگیزه جزء جدایی ناپذیر فرایند یادگیری باشد. ارزش ذاتی موفقیت تمایل به پیشرفت را در یادگیرنده ایجاد میکند. به عبارت ساده این تمایل انگیزه پیشرفت نامیده میشود. انگیزه پیشرفت را میتوان در احساس یادگیرنده هنگام چالش با درس های مدرسه، لذت انجام فعالیت درسی، یا حس کشف پاسخ مشاهده کرد.حتی ممکن است انگیزه پیشرفت را در تلاش یادگیرنده برای جلب تایید...

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: MRS Advances

سال: 2021

ISSN: ['2731-5894', '2059-8521']

DOI: https://doi.org/10.1557/s43580-021-00008-1