[en] Accelerated development of advanced materials is the current requirement for the state of the art defence applications. Newer alloys, polymers, ceramics and composites are developed based on their competency and forthcoming applications. Ti-based alloys are used in gas turbine engines and aerospace applications. It is important that these materials are required to be stable during service. Accordingly they are carefully chosen based on the relative stability of the different structures of the constituent phases as well as their mechanical properties, For example, in Ti-based binary alloys, fractional replacement of the alloying elements by suitable ternary substitutions can be utilized to improve ductility yet retaining the stability. The design of new materials with input from computational tools can reduce the developmental cost and time by reducing the large number of experimental trials. First-principles (FP) calculation based on density functional theory (DFT) is the most accurate method available today to explore the properties of any material. In this presentation, our efforts showing how this method is useful to calculate the physical properties of Ti-based alloys. Further, studies related to the phase stability, structural and mechanical properties of titanium alloys will be presented. Charge density and density of states of some of the above Ti-based alloys will also be discussed. (author)

[en] This session brings together 10 posters dealing with: 1 - Optimization of Microbial DNA Extraction from Tritium-Contaminated Soils - 21467 (Logan Willis, Yong Lee, John Seaman, Robin Brigmon). 2 - Fouling Reduction During Crossflow Filtration of Tank Wastes - 21469 (Hamid Ghaffari Nazarlou, Kimberly L. Jones). 3 - A Study on Modified Biochars for the Removal of TCE and PCE - 21470 (Suraj Venkat Pochampally, Padmanabhan Krishnaswamy, Ashtin Hofert, Erica Marti, Jaeyun Moon). 4 - Comparison of Biochars Obtained from Different Feedstocks for the Adsorption of TCE and PCE in Water - 21471 (Padmanabhan Krishnaswamy, Suraj Venkat Pochampally, Jaeyun Moon, Erica Marti, Christina Obra). 5 - Detecting Mercury Ions Using Silver Nanoparticle Loaded Hydrogel Nanofiber Electrodes - 21472 (David Fox, Woo Hyoung Lee, Lei Zhai, Yuen Yee Li Sip, Stephen Sarnyai, Jaehoon Hwang). 6 - Assessing VOC Plume Attenuation Pathways for Groundwater and Hyporheic Zone Microbial Attenuation Effectiveness - 21473 (Malik Williams, John Williams). 7 - Genomic Analysis of a Uranium Resistant Burkholderia sp. Strain SRS-147 Isolated from Uraniferous Soils of the Savannah River Site, USA - 21474 (Rajesh Singh Rathore, Meenakshi Agarwal, Ashish Pathak, John Seaman, Ashvini Chauhan). 8 - Characterization and Geochemical Modeling of Manganese Oxide Amendments for Remediation of Mercury-Contaminated Sediments - 21476 (Edwin Rivas Meraz, Mark Seelos). 9 - Spectro-electrochemical Analysis of Neptunium Solutions - 21478 (Nicholas Cicchetti). 10 - Analytical Functions for the Hanford 200 West Pump-and-Treat SCADA Sensor Data - 21595 (Jonas LaPier, Chris Johnson)