Transportation, aero & defense
Identify and screen new materials faster, cutting costly physical testing.
Predict failure mechanisms — fatigue, creep, hydrogen embrittlement, stress corrosion cracking.
Accelerate alloy and coating design through computational screening.
Shorten development cycles and reduce prototype costs with accurate property prediction under extreme conditions.
Leading industrial innovators — from Bosch and Toyota to General Motors and Michelin — apply Materials Design simulation software to solve some of the most demanding materials challenges in transportation, electrification, and advanced manufacturing.
By combining first-principles DFT, atomistic modeling, and force field simulations, they construct realistic amorphous polymer models for engineering plastics, predict how moisture uptake alters mechanical performance, and quantify structural evolution in battery cathode materials during charging and discharging. These approaches enable accurate prediction of hygromechanical behavior and chemo-mechanical responses that would otherwise require extensive and time-consuming physical testing.
Across applications ranging from automotive polymers and EV battery materials to recycling processes for high-performance plastics, Materials Design has helped accelerate development cycles, reduce experimental burden, and deliver competitive advantage through predictive, physics-based insight.
Why Materials Design?
High-performance alloys: Predict thermal, mechanical, and microstructural behavior in turbine blades and engine components.
Lightweight materials: Accelerate qualification of composites and advanced alloys for weight reduction without compromising integrity.
Fuels, lubricants, and additives: Predict thermophysical properties under extreme temperatures and pressures of aviation engines.
Battery materials: Understand electrode behavior, ion transport, and degradation to design more durable battery systems.
Example applications
Case studies
Product highlights
Accurate prediction of alloy stability, surface reactivity, and bonding in lightweight metals, ceramics, and protective coatings. Essential for understanding how materials behave at the electronic level with MedeA VASP.
Rapid, reliable prediction of elastic moduli, thermal conductivity, and related properties — directly supporting aerospace materials qualification and certification requirements with MedeA MT (Mechanical & Thermal Properties).
Design and screen high-performance polymers and composites – from sealants and structural adhesives to lightweight thermoplastics – by rapidly predicting mechanical, thermal and transport properties from chemical structure alone, without requiring synthesis, with MedeA P3C and MedeA Polymer Expert.
Automate reproducible high-throughput screening workflows to accelerate materials discovery and candidate evaluation without coding, using graphical MedeA Flowcharts.
Other relevant resources
Webinar: Modeling Hydrogen in Metals: Diffusion, Dislocations, Phase Transformations, and Embrittlement (Presented by Dr. Erich Wimmer and Dr. Mikael Christensen) — Directly addresses hydrogen embrittlement, one of the most critical failure mechanisms in aerospace structural alloys.
Webinar: Elasticity and Beyond: Predicting Mechanical Properties with MedeA (Presented by Dr. Ray Shan) — Covers prediction of mechanical properties central to materials qualification in aerospace and automotive structural design.
Webinar: Advancing Automotive Innovation with Materials Modeling (Industry Speaker: Dr. Jonathan Mueller, Volkswagen AG) — Industry-facing webinar with direct relevance to automotive R&D.
Webinar: A Foundation for the Atomistic Simulation of Solid Rocket Propellants (Presented by Garrett Tow) — Relevant to aerospace propulsion and defense applications.