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Metal-organic frameworks (MOFs) are versatile nanoporous materials that have gained significant interest as low heat capacity, high selectivity sorbents for CO2 capture applications. Large-scale atomistic simulations for identifying high-performance MOFs a ...
Spatially-coupled low-density parity-check (SC-LDPC) codes are known to have excellent asymptotic properties. Much less is known regarding their finite-length performance. We propose a scaling law to predict the error probability of finite-length spatially ...
Institute of Electrical and Electronics Engineers2015
Understanding phase transitions of fluids confined within nanopores is important for a wide variety of technological applications. It is well known that fluids confined in nanopores typically demonstrate freezing-point depressions, ΔTf, described by the Gi ...
Generalized State Space Average Modeling (GSSAM), of switching converters, offers an opportunity to improve fidelity of a model by inclusion of different harmonic components. Yet, the inclusion of each frequency component contributes to an increase in the ...
The primary H/D kinetic isotope effect on the intramolecular proton transfer in malonaldehyde is determined from quantum instanton path integral Monte Carlo simulations on a fully dimensional and validated potential energy surface for temperatures between ...
A mixture of two amphiphiles with fluorescent head groups can be used as a sensing ensemble for the pattern-based analysis of aminoglycoside antibiotics. In buffered aqueous solution, the amphiphiles form a dynamic mixture of micellar aggregates. In the pr ...
This thesis addresses the problem of a statistical description of the transport of sediment as bed load. It highlights the role of fluctuations arising during the transport process, and their impact on macroscopic averages. The results presented here are b ...
Fractionation of isotopes among distinct molecules or phases is a quantum effect which is often exploited to obtain insights on reaction mechanisms, biochemical, geochemical, and atmospheric phenomena. Accurate evaluation of isotope ratios in atomistic sim ...
Meta stable embedded nano-sized -particles within a single grain extracted from an alloy having the nominal composition have been examined with X-ray diffraction. By applying the orientational and metric relationships that exist between the hexagonal unit ...
The atomic structure and composition of a catalyst's surface have a major influence on its performance regarding activity and selectivity. In this respect, intermetallic compounds are promising future catalyst materials, as their surfaces exhibit small and ...
