Related papers: Double-tough and ultra-strong ceramics: leveraging…
To overcome the brittleness limitation of ceramics, various toughening mechanisms have been proposed. Some of the most remarkable, especially for oxides, include the tetragonal-to-monoclinic phase transformation leading to crack shielding…
The development of damage-resistant structural materials that can withstand harsh environments is a major issue in materials science and engineering. Bioinspired brick-and-mortar designs have recently demonstrated a range of interesting…
We propose a novel approach to optimize the design of heterogeneous materials, with the goal of enhancing their effective fracture toughness under mode-I loading. The method employs a Gaussian processes-based Bayesian optimization framework…
Zirconia ceramics have been known as a structural material with high fracture toughness and strength since Garvie et al. discovered phase transformation toughening in 1975 [1]. Although these mechanical properties are the most excellent…
We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…
We introduce a computational method to optimize target physical properties in the full configuration space regarding atomic composition, chemical stoichiometry, and crystal structure. The approach combines the universal potential of the…
Designing metallic glasses in silico is a major challenge in materials science given their disordered atomic structure and the vast compositional space to explore. Here, we tackle this challenge by finding optimal compositions for target…
High strength and high toughness are usually mutually exclusive in engineering materials. Improving the toughness of strong but brittle materials like ceramics thus relies on the introduction of a metallic or polymeric ductile phase to…
Bayesian optimization is used in many areas of AI for the optimization of black-box processes and has achieved impressive improvements of the state of the art for a lot of applications. It intelligently explores large and complex design…
The buildings and construction sector is a significant source of greenhouse gas emissions, with cement production alone contributing 7~\% of global emissions and the industry as a whole accounting for approximately 37~\%. Reducing emissions…
Dielectric structures composed of many inclusions that manipulate light in ways the bulk materials cannot are commonly seen in the field of metamaterials. In these structures, each inclusion depends on a set of parameters such as location…
The architectures of biological hard materials reveal finely tailored complex assemblies of mineral crystals. Numerous recent studies associate the design of these local assemblies with impressive macroscopic response. Reproducing such…
We present new multi-test Bayesian optimization models and algorithms for use in large scale material screening applications. Our screening problems are designed around two tests, one expensive and one cheap. This paper differs from other…
The development of new materials and structures for extreme conditions including impact remains a continuing challenge despite steady advances. Design is currently accomplished using a sequential approach: an optimal material is first…
Ceramics are easy to break, and very few generic mechanisms are available for improving their mechanical properties, e.g., the 1975-discovered anti-fracture mechanism is strictly limited to zirconia and hafnia. Here we report a general…
In this study, we propose a novel microstructure-sensitive Bayesian optimization (BO) framework designed to enhance the efficiency of materials discovery by explicitly incorporating microstructural information. Traditional materials design…
In this paper, a synergistic computational/experimental approach is presented for the rapid discovery and characterization of novel alloys within the compositionally complex (i.e., "medium/high entropy") refractory alloy space of…
Cortical bone is a tough biological material composed of tube-like osteons embedded in the organic matrix surrounded by weak interfaces known as cement lines. The cement lines provide a microstructurally preferable crack path, hence…
Achieving a balance between low density, high strength, and good ductility remains a major challenge in the development of structural materials. Ti-based bulk metallic glasses (BMGs) have attracted considerable attention due to their…
In this work, geometry optimization of mechanical truss using computer-aided finite element analysis is presented. The shape of the truss is a dominant factor in determining the capacity of load it can bear. At a given parameter space, our…