Thermodynamic investigations to enhance materials performance for manufacturing and energy systems applications

热力学在促进各种材料和工艺的科学研究和工程设计方面发挥着不可或缺的作用，例如腐蚀，制造，能源系统等等。该领域的进展旨在更好地了解材料行为，最终目标是提高性能和安全性，同时减少气候变化等负面环境影响。商业热力学软件通过使用常规模型促进了这一目标，并通过一系列实验进行了验证。

Thermodynamics plays an integral role in facilitating scientific research and engineering design of a wide array of materials and processes, such as corrosion, manufacturing, energy systems and much more. Advances in the field are aimed at better understanding material behaviour with the ultimate goal of enhancing performance and safety, while reducing negative environmental effects such as climate change. Commercial thermodynamic software have facilitated this objective with the use of conventional models, which are validated by a series of experiments. The long-term objective of the proposed research program is to develop a balanced scientific approach in theoretical, computational and experimental thermodynamics to better understand material behaviour with a particular focus on manufacturing and energy systems applications. Short-term objectives of this proposal will be focused on the following three themes: A) software development, B) model development, and C) experimental activities. Canada will benefit in the following ways: Theme A will produce a state-of-the-art software toolset that will be made open-source, which will enable scientific research and engineering design in industry, government and academia; Theme B will advance the field by developing high fidelity models that couple thermodynamic computations with multi-physics codes to enhance predictive capabilities; finally, Theme C will involve a series of experimental measurements to validate the foregoing models, which gives confidence that numerical predictions are correct. Through the proposed research program, 9 students will be trained with highly sought after skills that will be attractive to industry. Furthermore, all graduate students will be encouraged to pursue student exchange opportunities at national scientific laboratories, which will be made possible through the applicant's many on-going collaborations in both Canada and abroad. The intent of encouraging student exchange is to provide students with a broader level of experience and access to research facilities that are uniquely offered at a national laboratory while also providing them opportunities to build their professional networks; both will help them to secure employment post-graduation.