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Amorphous multi-element materials offer unprecedented tunability in composition and properties, yet their rational design remains challenging due to the lack of predictive structure-property relationships and the vast configurational space.…

High entropy oxides (HEOs) are a rapidly growing class of compositionally complex ceramics in which configurational disorder is engineered to unlock novel functionality. While average crystallographic symmetry is often retained, local…

Density functional theory and its optimization algorithm are the main methods to calculate the properties in the field of materials. Although the calculation results are accurate, it costs a lot of time and money. In order to alleviate this…

材料科学 · 物理学 2021-09-21 Houchen Zuo , Yongquan Jiang , Yan Yang , Jie Hu

Nanoscale machines are strongly influenced by thermal fluctuations, contrary to their macroscopic counterparts. As a consequence, even the efficiency of such microscopic machines becomes a fluctuating random variable. Using geometric…

统计力学 · 物理学 2019-04-16 Sreekanth K Manikandan , Lennart Dabelow , Ralf Eichhorn , Supriya Krishnamurthy

Metallic alloys often form phases - known as solid solutions - in which chemical elements are spread out on the same crystal lattice in an almost random manner. The tendency of certain chemical motifs to be more common than others is known…

材料科学 · 物理学 2024-06-21 Killian Sheriff , Yifan Cao , Tess Smidt , Rodrigo Freitas

When an experimentalist measures a time series of qubits, the outcomes generate a classical stochastic process. We show that measurement induces high complexity in these processes in two specific senses: they are inherently unpredictable…

量子物理 · 物理学 2020-10-14 Ariadna E. Venegas-Li , Alexandra M. Jurgens , James P. Crutchfield

While traditional trial-and-error methods for designing amorphous alloys are costly and inefficient, machine learning approaches based solely on composition lack critical atomic structural information. Machine learning interatomic…

材料科学 · 物理学 2025-08-19 Xuhe Gong , Hengbo Zhao , Xiao Fu , Jingchen Lian , Qifan Yang , Ran Li , Ruijuan Xiao , Tao Zhang , Hong Li

High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those with valuable properties, however, relies on serendipity, as…

Disorder enhances desired properties, as well as creating new avenues for synthesizing materials. For instance, hardness and yield stress are improved by solid-solution strengthening, a result of distortions and atomic size mismatches.…

We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or temperature. Specifically, we find isotropic,convex-repulsive…

软凝聚态物质 · 物理学 2018-01-10 William D. Piñeros , Michael Baldea , Thomas M. Truskett

Many emerging applications in microscale engineering rely on the fabrication of three-dimensional architectures in inorganic materials. Small-scale additive manufacturing (AM) aspires to provide flexible and facile access to these…

Entropy dimension is an entropy-type quantity which takes values in $[0,1]$ and classifies different levels of intermediate growth rate of complexity for dynamical systems. In this paper, we consider the complexity of skew products of…

动力系统 · 数学 2021-07-01 Dou Dou , Kyewon Koh Park

A topological interlocking assembly is an arrangement of blocks, where all blocks are kinematically constrained by their neighboring blocks and a fixed frame. This concept has been known for a long time, attracting recent interest due to…

材料科学 · 物理学 2025-12-04 Lukas Schnelle , Meike Weiß , Reymond Akpanya , Kai-Uwe Schröder , Alice C. Niemeyer

The mechanical properties of amorphous solids like metallic glasses can be dramatically changed by adding small concentrations (as low as 0.1\%) of foreign elements. The glass-forming-ability, the ductility, the yield stress and the elastic…

材料科学 · 物理学 2016-06-29 H. George E. Hentschel , Michael Moshe , Itamar Procaccia , Konrad Samwer

Damage-tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the…

We present a multiscale modeling approach that concurrently couples quantum mechanical, classical atomistic and continuum mechanics simulations in a unified fashion for metals. This approach is particular useful for systems where chemical…

材料科学 · 物理学 2009-11-11 Gang Lu , E. B. Tadmor , Efthimios Kaxiras

This chapter presents an innovative framework for the application of machine learning and data analytics for the identification of alloys or composites exhibiting certain desired properties of interest. The main focus is on alloys and…

材料科学 · 物理学 2020-12-15 Baldur Steingrimsson , Xuesong Fan , Anand Kulkarni , Michael C. Gao , Peter K. Liaw

We demonstrate the advantages of randomization in coherent quantum dynamical control. For systems which are either time-varying or require decoupling cycles involving a large number of operations, we find that simple randomized protocols…

量子物理 · 物理学 2009-11-13 Lea F. Santos , Lorenza Viola

This paper studies the design of mechanisms that are robust to misspecification. We introduce a novel notion of robustness that connects a variety of disparate approaches and study its implications in a wide class of mechanism design…

理论经济学 · 经济学 2021-08-31 Giuseppe Lopomo , Luca Rigotti , Chris Shannon

An important issue in additive manufacturing is the reliability and reproducibility of parts. One major problem in achieving this are uncontrolled local variations in the obtained material properties which arise in the complex manufacturing…

最优化与控制 · 数学 2017-07-18 Jannis Greifenstein , Michael Stingl