The transportation sector is undergoing a significant transformation aimed at enhancing sustainability and reducing environmental impact. Rail vehicles, as a cornerstone of mass transit and freight movement, are adopting advanced propulsion technologies such as hydrogen fuel cells, battery-electric systems, and hybrid configurations to improve energy efficiency and minimize emissions. Additionally, the integration of biopolymer-based materials in vehicle components offers promising pathways to reduce lifecycle emissions and improve material sustainability. This chapter presents a comprehensive modeling framework that integrates energy balance equations, resistive force dynamics, and emissions estimation to analyze the performance of sustainable rail vehicle technologies. Numerical simulations illustrate the comparative energy consumption, emission profiles, and operational performance across different propulsion systems. Visualization through diverse graphical methods, including bar graphs, radar charts, and spline curves, facilitates a detailed understanding of key metrics. The results underscore the potential of hydrogen and battery-electric trains in reducing carbon footprints while maintaining competitive performance. The chapter concludes by discussing the implications for railway operators, policymakers, and future research directions toward fully sustainable rail transportation.