{"id":3455,"date":"2024-07-11T19:15:19","date_gmt":"2024-07-11T19:15:19","guid":{"rendered":"https:\/\/oge.mit.edu\/msrp\/?post_type=profiles&p=3455"},"modified":"2025-12-09T12:38:46","modified_gmt":"2025-12-09T17:38:46","slug":"simone-lang","status":"publish","type":"profiles","link":"https:\/\/oge.mit.edu\/msrp\/profiles\/simone-lang\/","title":{"rendered":"Simone Lang"},"content":{"rendered":"
\n
\"Simone<\/figure>\n<\/div>\n\n\n

MIT Department: <\/strong>Materials Science and Engineering
Faculty Mentor: <\/strong>Prof. Rodrigo Freitas<\/p>\n\n\n\n

Research Supervisor: <\/strong>Yifan Cao
Undergraduate Institution:<\/strong> Texas Woman’s University
Hometown:<\/strong> Lewisville, Texas
Website: <\/strong>LinkedIn<\/a><\/p>\n\n\n\n

<\/div>\n\n\n\n

Biography<\/strong><\/h4>\n\n\n\n

Simone Lang is an undergraduate Chemistry student at Texas Woman\u2019s University, also pursuing a minor in Computer Science. With a 3.9 GPA, her interests lie in computational chemistry and materials science, particularly polymers and low-dimensional materials for spacesuits. Simone’s research in Dr. Shiru Lin’s lab involves Density Functional Theory (DFT) and Molecular Dynamics simulations to study interactions between HDPE and graphene. She has presented at national conferences and co-authored a publication in the Journal of Colloid and Interface Sciences. In addition to her research, Simone interned at Flagship Pioneering, where she contributed to developing machine learning models for sustainable materials. In the MIT MSRP program, she worked under Rodrigo Freitas’ group on high entropy alloys for catalytic applications. Driven by her passion for computational techniques and machine learning, Simone aims to pursue a Ph.D. in Material Science and Engineering, contributing to advancements in the field and addressing environmental challenges.<\/p>\n\n\n\n

Abstract<\/strong><\/h4>\n\n\n\n

High Entropy Alloys for Corrosion Resistance Applications<\/strong><\/p>\n\n\n\n

Simone Lang1<\/sup>, Yifan Cao2<\/sup>, Rodrigo Freitas2<\/sup>
1<\/sup>Department of Chemistry and Biochemistry, Texas Woman\u2019s University
2<\/sup>Department of Material Science and Engineering, Massachusetts Institute of Technology<\/p>\n\n\n\n

High entropy alloys (HEAs) are produced by mixing three or more chemical elements in nearly equal proportions, resulting in their large chemical complexities. Due to the complexity of HEAs, analysis of chemical states influenced by short-range order (SRO) becomes challenging experimentally [1]. Therefore, computational methods have been conducted to characterize SRO in complex alloys [2,3]. For instance, predictive multiscale methods can be used to simulate the surface chemistry of HEAs, enabling the potential implementation of HEAs for catalytic applications and structural applications requiring corrosion resistance [4]. CrCoNi has become a popular candidate for corrosion resistance due to its high chromium contents. Equiatomic CrCoNi is often synthesized in an uniform solid solution phase displaying different levels of SRO; where Cr-Cr are hugely disfavored in the bulk materials[4]. This creates a system where chromium will allegate away from each other, causing a loss of corrosion resistance in the bulk of HEAs materials. However, the SRO and its potential impact on the corrosion resistance on the surfaces of CrCoNi remains unknown. In this study, we examined catalytic surface interaction of CrCoNi by simulating and characterizing the chemical profile near the free surfaces. Hybrid Molecular Dynamic Monte Carlo (MDMC) simulations were used to examine the SRO state of CrCoNiacross several temperatures, and the concentration profile throughout the material. Analysis of structural change over time was conducted and visualized using the Open Visualization Tool (OVITO).<\/p>\n","protected":false},"featured_media":3783,"template":"","profile_category":[22],"class_list":["post-3455","profiles","type-profiles","status-publish","has-post-thumbnail","hentry","profile_category-2024-interns"],"acf":[],"_links":{"self":[{"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/profiles\/3455","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/profiles"}],"about":[{"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/types\/profiles"}],"version-history":[{"count":3,"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/profiles\/3455\/revisions"}],"predecessor-version":[{"id":4915,"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/profiles\/3455\/revisions\/4915"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/media\/3783"}],"wp:attachment":[{"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/media?parent=3455"}],"wp:term":[{"taxonomy":"profile_category","embeddable":true,"href":"https:\/\/oge.mit.edu\/msrp\/wp-json\/wp\/v2\/profile_category?post=3455"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}