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Full-Text Articles in Materials Science and Engineering

Synthesis Of Amorphous Hydrogenated Boron Carbide From Orthocarborane Using Argon Bombardment: A Reaxff Molecular Dynamics Study, Nirmal Baishnab Aug 2019

Synthesis Of Amorphous Hydrogenated Boron Carbide From Orthocarborane Using Argon Bombardment: A Reaxff Molecular Dynamics Study, Nirmal Baishnab

MSU Graduate Theses

In this study, the synthesis process of a-B­xC:Hy using argon bombardment from the orthocarborane precursor was modeled by using reactive molecular dynamics (MD). Utilizing the MD simulations, the formation of free radicals as a result of ion bombardment was identified and quantified. Then, the densification process that is aided by the mixture of free radicals and orthocarborane was analyzed. The densification process by creating the initial structure composed of free radicals and orthocarborane with active sites created by partially removing some of the hydrogen atoms from the icosahedral cage was also modelled. Overall, a better understanding of …


Multifunctional Transition Metal Oxide Core Shell Magnetic Nanoparticles, Mahmud Reaz May 2017

Multifunctional Transition Metal Oxide Core Shell Magnetic Nanoparticles, Mahmud Reaz

MSU Graduate Theses

Oxide core-shell nanoparticles (CSNPs) have attracted considerable interest for their multifunctional properties. Luminescent ZnO, ferroelectric BaTiO3, and inverse spinel iron oxide can be exploited to develop magneto-luminescent and multiferroic nanomaterials. The novel sonochemical method has been used to synthesize the nanomaterials. Atomic-scale spectroscopy establishes the core-shell nature and multifunctional properties of the nanomaterials. Magnetic hysteresis (coercivity, remnant, and saturation magnetization) and temperature dependent data indicate the key structural difference between the oxidized and reduced ZnO/iron oxide CSNPs. Variation in the coercive field and remnant and saturation magnetization further confirms the presence of different iron oxides in the shell region. Temperature …


Study Of Nano-Bio Interfaces In Nano-Bio Conjugates: Nanoparticles Of Zinc Oxide (Zno) And Biomolecules Of Glucose, Cytosine, And Thymine, Bithi Paul Jan 2017

Study Of Nano-Bio Interfaces In Nano-Bio Conjugates: Nanoparticles Of Zinc Oxide (Zno) And Biomolecules Of Glucose, Cytosine, And Thymine, Bithi Paul

MSU Graduate Theses

Nano conjugates, composites of inorganic nanomaterials and bio molecules such as DNA, RNA and proteins, establish a sequence of wide varieties of nano-bio boundaries. The formation of these boundaries strongly depends on bio physicochemical reaction of biomolecules coated on the surface of nanomaterials. I am investigating various nano-bio conjugates consisting of zinc oxide (ZnO) nanoparticles with simple biomolecules including glucose and the nitrogenous bases of DNA such as cytosine and thymine. All nano-bio conjugates were fabricated using a standard bio-chemical synthesis process. Structural, physical, bio-chemical interface properties of nano-bio composites were probed using X-ray diffraction (XRD), Raman spectroscopy, and photoluminescence …