Hamid Bolvardi

Bio: Hamid Bolvardi is an academic researcher from RWTH Aachen University. The author has contributed to research in topics: Coating & Thin film. The author has an hindex of 15, co-authored 46 publications receiving 631 citations. Previous affiliations of Hamid Bolvardi include Max Planck Society & K.N.Toosi University of Technology.

Ab initio inspired design of ternary boride thin films.

Abstract: The demand to discover new materials is scientifically as well as industrially a continuously present topic, covering all different fields of application. The recent scientific work on thin film materials has shown, that especially for nitride-based protective coatings, computationally-driven understanding and modelling serves as a reliable trend-giver and can be used for target-oriented experiments. In this study, semi-automated density functional theory (DFT) calculations were used, to sweep across transition metal diborides in order to characterize their structure, phase stability and mechanical properties. We show that early transition metal diborides (TiB2, VB2, etc.) tend to be chemically more stable in the AlB2 structure type, whereas late transition metal diborides (WB2, ReB2, etc.) are preferably stabilized in the W2B5−x structure type. Closely related, we could prove that point defects such as vacancies significantly influence the phase stability and even can reverse the preference for the AlB2 or W2B5−x structure. Furthermore, investigations on the brittle-ductile behavior of the various diborides reveal, that the metastable structures are more ductile than their stable counterparts (WB2, TcB2, etc.). To design thin film materials, e.g. ternary or layered systems, this study is important for application oriented coating development to focus experimental studies on the most perspective systems.

Systematic study on the electronic structure and mechanical properties of X2BC (X = Mo, Ti, V, Zr, Nb, Hf, Ta and W)

Abstract: In this work the electronic structure and mechanical properties of the phases X2BC with X??=Ti, V, Zr, Nb, Mo, Hf, Ta, W (Mo2BC-prototype) were studied using ab initio calculations. As the valence electron concentration (VEC) per atom is increased by substitution of the transition metal X, the six very strong bonds between the transition metal and the carbon shift to lower energies relative to the Fermi level, thereby increasing the bulk modulus to values of up to 350?GPa, which corresponds to 93% of the value reported for c-BN. Systems with higher VEC appear to be ductile as inferred from both the more positive Cauchy pressure and the larger value of the bulk to shear modulus ratio (B/G). The more ductile behavior is a result of the more delocalized interatomic interactions due to larger orbital overlap in smaller unit cells. The calculated phase stabilities show an increasing trend as the VEC is decreased. This rather unusual combination of high stiffness and moderate ductility renders X2BC compounds with X??=??Ta, Mo and W as promising candidates for protection of cutting and forming tools.

Controlling the Dynamics of a Single Atom in Lateral Atom Manipulation

Abstract: We studied the dynamics of a single cobalt (Co) atom during lateral manipulation on a copper (111) surface in a low-temperature scanning tunneling microscope. The Co binding site locations were revealed in a detailed image that resulted from lateral Co atom motion within the trapping potential of the scanning tip. Random telegraph noise, corresponding to the Co atom switching between hexagonal close-packed (hcp) and face-centered cubic (fcc) sites, was seen when the tip was used to try to position the Co atom over the higher energy hcp site. Varying the probe tip height modified the normal copper (111) potential landscape and allowed the residence time of the Co atom in these sites to be varied. At low tunneling voltages (less than ∼5 millielectron volts), the transfer rate between sites was independent of tunneling voltage, current, and temperature. At higher voltages, the transfer rate exhibited a strong dependence on tunneling voltage, indicative of vibrational heating by inelastic electron scattering.

Hard coatings with high temperature adaptive lubrication and contact thermal management: review

Abstract: Progress in the design and exploration of hard coatings with high temperature adaptive behavior in tribological contacts is reviewed. When coupled with most recent surface engineering strategies for high temperature contact thermal management, this progress opens a huge opportunity for adaptive coating applications on machine parts, where oils and coolants are commonly used. The adaptive mechanisms discussed here include metal diffusion and formation of lubricant phases at worn surfaces, thermally- and mechanically-induced phase transitions in hexagonal solids, contact surface tribo-chemical evolutions to form phases with low melting point, formation of easy to shear solid oxides, and others. All of these adaptive mechanisms are combined in nanocomposite coatings with synergistic self-adaptation of surface structure and chemistry to lubricate from ambient temperatures to 1000 °C and provide surface chemical and structural reversibility during temperature cycling to maintain low friction coefficients. The review also highlights emerging surface adaptive concepts, where advances with ab initio modeling of intrinsically layered solids point to new compositions for thermally stable, easy to shear ceramic coatings, load- and temperature-adaptive surfaces with arrays of compliant carbon and boron nitride nanotubes as well as low friction two-dimensional structures. Approaches for self-regulation of coating thermal conductivity, heat flow, and thermal spike mitigations are discussed in the context of surface structure evolution and phase transitions. Future progress is linked to the development of in situ exploration techniques, capable of identifying adaptive surface chemistry and structural evolutions in broad temperature regimes. When combined with predictive modeling, such approaches drastically accelerate adaptive coating developments. The review identifies opportunities, strategies, and challenges for designs and applications of hard coatings with high temperature adaptive lubrication and contact thermal management.

High-entropy ceramics: Review of principles, production and applications

Abstract: High-entropy ceramics with five or more cations have recently attracted significant attention due to their superior properties for various structural and functional applications. Although the multi-component ceramics have been of interest for several decades, the concept of high-entropy ceramics was defined in 2004 by producing the first high-entropy nitride films. Following the introduction of the entropy stabilization concept, significant efforts were started to increase the entropy, minimize the Gibbs free energy and achieve stable single-phase high-entropy ceramics. High-entropy oxides, nitrides, carbides, borides and hydrides are currently the most popular high-entropy ceramics due to their potential for various applications, while the study of other ceramics, such as silicides, sulfides, fluorides, phosphides, phosphates, oxynitrides, carbonitrides and borocarbonitrides, is also growing fast. In this paper, the progress regarding high-entropy ceramics is reviewed from both experimental and theoretical points of view. Different aspects including the history, principles, compositions, crystal structure, theoretical/empirical design (via density functional theory, molecular dynamics simulation, machine learning, CALPHAD and descriptors), production methods and properties are thoroughly reviewed. The paper specifically attempts to answer how these materials with remarkable structures and properties can be used in future applications.

A structure zone diagram including plasma based deposition and ion etching - eScholarship

Abstract: An extended structure zone diagram is proposed that includes energetic deposition, characterized by a large flux of ions typical for deposition by filtered cathodic arcs and high power impulse magnetron sputtering. The axes are comprised of a generalized homologous temperature, the normalized kinetic energy flux, and the net film thickness, which can be negative due to ion etching. It is stressed that the number of primary physical parameters affecting growth by far exceeds the number of available axes in such a diagram and therefore it can only provide an approximate and simplified illustration of the growth condition?structure relationships.