Protein-based materials, toward a new level of structural control

Through billions of years of evolution nature has created and refined structural proteins for a wide variety of specific purposes. Amino acid sequences and their associated folding patterns combine to create elastic, rigid or tough materials. In many respects, nature’s intricately designed products provide challenging examples for materials scientists, but translation of natural structural concepts into bio-inspired materials requires a level of control of macromolecular architecture far higher than that afforded by conventional polymerization processes. An increasingly important approach to this problem has been to use biological systems for production of materials. Through protein engineering, artificial genes can be developed that encode protein-based materials with desired features. Structural elements found in nature, such as β-sheets and α-helices, can be combined with great flexibility, and can be outfitted with functional elements such as cell binding sites or enzymatic domains. The possibility of incorporating non-natural amino acids increases the versatility of protein engineering still further. It is expected that such methods will have large impact in the field of materials science, and especially in biomedical materials science, in the future

System Reliability Evaluation Using Concurrent Multi-Level Simulation of Structural Faults

This paper provides a methodology that leverages state-of-the-art techniques for efficient fault simulation of structural faults together with transaction level modeling. This way it is possible to accurately evaluate the impact of the faults on the entire hardware/software syste

Contribution to Viscosity from the Structural Relaxation via the Atomic Scale Green-Kubo Stress Correlation Function

We studied the connection between the structural relaxation and viscosity for a binary model of repulsive particles in the supercooled liquid regime. The used approach is based on the decomposition of the macroscopic Green-Kubo stress correlation function into the correlation functions between the atomic level stresses. Previously we used the approach to study an iron-like single component system of particles. The role of vibrational motion has been addressed through the demonstration of the relationship between viscosity and the shear waves propagating over large distances. In our previous considerations, however, we did not discuss the role of the structural relaxation. Here we suggest that the contribution to viscosity from the structural relaxation can be taken into account through the consideration of the contribution from the atomic stress auto-correlation term only. This conclusion, however, does not mean that only the auto-correlation term represents the contribution to viscosity from the structural relaxation. Previously the role of the structural relaxation for viscosity has been addressed through the considerations of the transitions between inherent structures and within the mode-coupling theory by other authors. In the present work, we study the structural relaxation through the considerations of the parent liquid and the atomic level stress correlations in it. The comparison with the results obtained on the inherent structures also is made. Our results suggest that in the supercooled liquid regime the vibrational contribution to viscosity extends over the times which are much larger than the Einstein's vibrational period and much larger than the times which it takes for the shear waves to propagate over the model systems. Besides addressing the atomic level shear stress correlations, we also studied correlations between the atomic level pressure elements.Comment: 16 pages, 12 figure

Crystallographic disorder and electron scattering on structural two-level systems in ZrAs1.4Se0.5

Single crystals of ZrAs1.4Se0.5 (PbFCl type structure) were grown by chemical vapour transport. While their thermodynamic and transport properties are typical for ordinary metals, the electrical resistivity exhibits a shallow minimum at low temperatures. Application of strong magnetic fields does not influence this anomaly. The minimum of the resistivity in ZrAs1.4Se0.5 apparently originates from interaction between the conduction electrons and structural two-level systems. Significant disorder in the As-Se substructure is inferred from X-ray diffraction and electron microprobe studies

Sub-structural Niching in Estimation of Distribution Algorithms

We propose a sub-structural niching method that fully exploits the problem decomposition capability of linkage-learning methods such as the estimation of distribution algorithms and concentrate on maintaining diversity at the sub-structural level. The proposed method consists of three key components: (1) Problem decomposition and sub-structure identification, (2) sub-structure fitness estimation, and (3) sub-structural niche preservation. The sub-structural niching method is compared to restricted tournament selection (RTS)--a niching method used in hierarchical Bayesian optimization algorithm--with special emphasis on sustained preservation of multiple global solutions of a class of boundedly-difficult, additively-separable multimodal problems. The results show that sub-structural niching successfully maintains multiple global optima over large number of generations and does so with significantly less population than RTS. Additionally, the market share of each of the niche is much closer to the expected level in sub-structural niching when compared to RTS

The Bloch Vector for N-Level Systems

We determine the set of the Bloch vectors for N-level systems, generalizing the familiar Bloch ball in 2-level systems. An origin of the structural difference from the Bloch ball in 2-level systems is clarified.Comment: REVTeX4, 16 pages, 2 EPS figures, add some references, correct some typo

Efficient Simulation of Structural Faults for the Reliability Evaluation at System-Level

In recent technology nodes, reliability is considered a part of the standard design ¿ow at all levels of embedded system design. While techniques that use only low-level models at gate- and register transfer-level offer high accuracy, they are too inefficient to consider the overall application of the embedded system. Multi-level models with high abstraction are essential to efficiently evaluate the impact of physical defects on the system. This paper provides a methodology that leverages state-of-the-art techniques for efficient fault simulation of structural faults together with transaction-level modeling. This way it is possible to accurately evaluate the impact of the faults on the entire hardware/software system. A case study of a system consisting of hardware and software for image compression and data encryption is presented and the method is compared to a standard gate/RT mixed-level approac