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Polarization At Metal--Biomolecular Interfaces In Solution, Hendrik Heinz, Kshitij Jha, Jutta Luettmer-Strathmann, Barry Farmer, Rajesh Naik Sep 2015

Polarization At Metal--Biomolecular Interfaces In Solution, Hendrik Heinz, Kshitij Jha, Jutta Luettmer-Strathmann, Barry Farmer, Rajesh Naik

Jutta Luettmer-Strathmann

Metal surfaces in contact with water, surfactants and biopolymers experience attractive polarization owing to induced charges. This fundamental physical interaction complements stronger epitaxial and covalent surface interactions and remains difficult to measure experimentally. We present a first step to quantify polarization on even gold (Au) surfaces in contact with water and with aqueous solutions of peptides of different charge state (A3 and Flg-Na3) by molecular dynamics simulation in all-atomic resolution and a posteriori computation of the image potential. Attractive polarization scales with the magnitude of atomic charges and with the length of multi-poles in the aqueous phase such as the …


Uv-Absorption And Silica/Titania Colloids Using A Core--Shell Approach, Liang Zhou, Hendrik Heinz, Mark Soucek, Elvin Aleman, David Modarelli Sep 2015

Uv-Absorption And Silica/Titania Colloids Using A Core--Shell Approach, Liang Zhou, Hendrik Heinz, Mark Soucek, Elvin Aleman, David Modarelli

David A. Modarelli

Metal-oxo-colloids have been prepared using tetraethoxysilane (TEOS) oligomers with titanium tetra-i-propoxide (TIP) or titanium (di-i-propoxide) bis(acetylacetonate) (TIA) precursors. Transmission electron microscopy (TEM), FTIR, UV-Vis, and photoluminescence spectroscopy were used to investigate the composition, the size, and optical properties of the Si/Ti core–shell colloids. The presence of hetero-bonded silicate structure (Si–O–Ti) was indicated by FTIR spectroscopy. The size of Si/TIP system ranged from 55 to 120 nm and Si/TIA system ranged from 220 to 250 nm. The TEM data indicated that the size of colloids can be controlled by the TIP or TIA content. The Si/Ti system …


High-Throughput Screening Of Shape Memory Alloy Thin-Film Spreads Using Nanoindentation, Arpit Dwivedi, Thomas Wyrobek, Oden Warren, Jason Hattrick-Simpers, Olubenga Famodu, Ichiro Takeuchi Mar 2015

High-Throughput Screening Of Shape Memory Alloy Thin-Film Spreads Using Nanoindentation, Arpit Dwivedi, Thomas Wyrobek, Oden Warren, Jason Hattrick-Simpers, Olubenga Famodu, Ichiro Takeuchi

Jason R. Hattrick-Simpers

We have demonstrated the utility of nanoindentation as a rapid characterization tool for mapping shape memoryalloy compositions in combinatorial thin-film libraries. Nanoindentation was performed on Ni–Mn–Al ternary composition spreads. The indentation hardness and the reduced elastic modulus were mapped across a large fraction of the ternary phase diagram. The large shape memoryalloy composition region, located around the Heusler composition (Ni2MnAl), was found to display significant departure in these mechanical properties from the rest of the composition spread. In particular, the modulus and the hardness values are lower for the martensite region than those of the rest of the phase diagram.


The Materials Super Highway: Integrating High-Throughput Experimentation Into Mapping The Catalysis Materials Genome, Jason Hattrick-Simpers, Cun Wen, Jochen Lauterbach Mar 2015

The Materials Super Highway: Integrating High-Throughput Experimentation Into Mapping The Catalysis Materials Genome, Jason Hattrick-Simpers, Cun Wen, Jochen Lauterbach

Jason R. Hattrick-Simpers

No abstract provided.