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Materials Discovery from Statistical Modeling and Atomistic Simulations

Description:

Selecting the best material to deliver optimum performance in real-world applications is one of the most significant challenges in engineering. Hundreds of thousands of computationally-predicted, but experimentally unexplored materials exist today in the public inorganic material databases as candidates for consideration. This thesis discusses three projects in the domain of...

Keyword:

statistical modeling, materials design, uncertainty quantification, materials selection, computational materials, and materials informatics

Subject:

Materials Science

Creator:

Gopakumar, Abhijith Mini

Owner:

Scholarly Digital Publishing

Language:

en

Date Uploaded:

02/16/2023

Date Created:

2022-01-01

Resource Type:

Dissertation

Alternate Identifier:

etdadmin_upload_947056 and http://dissertations.umi.com/northwestern:16368
Modeling of Structure-Property Relationship in Polymer Nanocomposites with Finite Element and Data Driven Methods

Description:

Polymer nanocomposites are a designer class of materials where nanoscale particles, functional chemistry and polymer matrix combine to yield unprecedented combinations of superior physical properties. While well-defined data representation and quantitative models have been developed in material science domains such as metallic alloys, polymer nanocomposites have remained a largely untouched...

Keyword:

nanocomposite, dielectrics, and materials informatics

Subject:

Mechanical engineering

Creator:

Zhao, He

Owner:

Scholarly Digital Publishing

Language:

en

Date Uploaded:

02/12/2020

Date Created:

2019-01-01

Resource Type:

Dissertation

Alternate Identifier:

etdadmin_upload_639974 and http://dissertations.umi.com/northwestern:14530

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Materials Discovery from Statistical Modeling and Atomistic Simulations

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