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In this progress report we present a new approach to the ab-initio guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical simulation method in conjunction with experiments. Parameter-free density…

Materials Science · Physics 2008-11-04 D. Raabe , B. Sander , M. Friak , D. Ma , J. Neugebauer

The search for thin film electro-optic (EO) materials that can retain superior performance under cryogenic conditions has become critical for quantum computing. Barium titanate thin films show large linear EO coefficients in the tetragonal…

Chemical looping methane partial oxidation provides an energy and cost effective route for methane utilization. However, there is considerable CO2 co-production in state-of-the-art chemical looping systems, rendering a decreased…

Chemical Physics · Physics 2020-01-08 Yan Liu , Lang Qin , Zhuo Cheng , Josh W. Goetze , Fanhe Kong , Jonathan A. Fan , Liang-shih Fan

Nanostructures of Titanium oxide (TiO2) are being studied for many promising applications, e.g., solar photovoltaics, solar water splitting for H2 fuel generation etc., due to their excellent photo-catalytic properties. We have synthesized…

Materials Science · Physics 2016-09-30 Gangadhar Das , Manoj Kumar , A. K. Biswas , Ajay Khooha , Puspen Mondal , M. K. Tiwari

The microstructural stability and mechanical properties of superalloys at high temperatures are significantly influenced by the composition and nature of the solutes they contain. Most of the alloys with high solvus temperature have higher…

Materials Science · Physics 2025-08-01 Sudeepta Mukherjee , Hemant Kumar , B. S. Murty , Satyam Suwas , Surendra Kumar Makineni

NiTi-based high-temperature shape memory alloys (HTSMAs) such as NiTiHf have been utilized in a broad range of applications due to their high strength and work output, as well as, their ability to increase the transformation temperatures…

Short-term physico-chemical reactions at the interface between bioactive glass particles and biological fluids are studied and we focus our attention on the measurements of O/Si atomic ratio. The studied bioactive glass is in the…

Biological Physics · Physics 2007-05-23 V. Blanchet , E. Jallot , J. Michel , L. Wortham , D. Laurent-Maquin , G. Balossier

The possible importance of oxide formation for the catalytic activity of transition metals in heterogenous oxidation catalysis has evoked a lively discussion over the recent years. On the more noble transition metals (like Pd, Pt or Ag) the…

Materials Science · Physics 2009-11-13 Jutta Rogal , Karsten Reuter , Matthias Scheffler

Mechano-bactericidal (MB) surfaces have been proposed as an emerging strategy for preventing biofilm formation. Unlike antibiotics and metal ions that chemically interfere with cellular processes, MB nanostructures cause physical damage to…

If metal surfaces are exposed to sufficiently oxygen-rich environments, oxides start to form. Important steps in this process are the dissociative adsorption of oxygen at the surface, the incorporation of O atoms into the surface, the…

Materials Science · Physics 2007-05-23 Karsten Reuter

Amorphous oxide thin films play a fundamental role in state-of-the art interferometry experiments, such as gravitational wave detectors where these films compose the high reflectance mirrors of end and input masses. The sensitivity of these…

Hydrogen-based direct reduction offers a sustainable pathway to decarbonize the metal production industry. However, stable metal oxides, like Cr$_2$O$_3$, are notoriously difficult to reduce, requiring extremely high temperatures (above…

Silicon processing techniques such as atomic precision advanced manufacturing (APAM) and epitaxial growth require surface preparations that activate oxide desorption (typically >1000 $^{\circ}$C) and promote surface reconstruction toward…

Reduction in metal-oxide thin films has been suggested as the key mechanism responsible for forming conductive nanofilaments within solid-state memory devices, enabling their resistive switching capacity. The quantitative spatial…

Sr1-xMnxTiO3 (where x = 0.03, 0.05, 0.07 and 0.09) was synthesized via different routes that include solid-state, oxalate precipitation and freeze drying. In oxalate precipitation technique, compositions corresponding to 3 and 5 mol %…

Materials Science · Physics 2012-05-08 K. R. S. Preethi Meher , C. Bogicevic , Pierre-Eymeric Janolin , K. B. R. Varma

To enhance our understanding of oxidation in high-entropy alloys, the early stages of oxidation on the surface of Al10Nb15Ta5Ti30Zr40 were studied using density functional theory and thermodynamic modeling. Surface slabs were generated from…

Materials Science · Physics 2025-07-29 Tyler D. Doležal , Adib J. Samin

The surface properties of metallic implants play an important role in their clinical success. Improving upon the inherent shortcomings of Ti implants, such as poor bioactivity, is imperative for achieving clinical use. In this study, we…

Materials Science · Physics 2017-01-09 Csaba Hegedűs , Chia-Che Ho , Attila Csik , Sándor Biri , Shinn-Jyh Ding

Pure phase and mixed phase TiO$_2$ nanoparticles have been produced using a pyrolytic method from a non-aqueous carboxylate precursor. The precursor was prepared by a multiphase cation exchange using pentanoic acid (C$_4$H$_9$COOH). The…

Materials Science · Physics 2021-02-08 Dmitry Zablotsky , Mikhail M. Maiorov , Aija Krumina , Marina Romanova , Elmars Blums

Anomalous motional heating is a major obstacle to scalable quantum information processing with trapped ions. While the source of this heating is not yet understood, several previous studies suggest that surface contaminants may be largely…

Atomic Physics · Physics 2015-09-02 Robert McConnell , Colin Bruzewicz , John Chiaverini , Jeremy Sage

In the present paper, the analysis of polishing, grinding and sand-blasting processes on oxidation behavior of nickel, copper and nickel-copper alloy has been investigated. Surface roughness has been measured using two methods: by contact…

Applied Physics · Physics 2020-11-19 Daria Serafin , Wojciech J. Nowak , Bartek Wierzba
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