Molecular Mechanisms in Materials: Insights from Atomistic Modeling and Simulation

Yip, Sidney

  • 出版商: MIT
  • 出版日期: 2023-10-24
  • 售價: $1,980
  • 貴賓價: 9.8$1,940
  • 語言: 英文
  • 頁數: 286
  • 裝訂: Quality Paper - also called trade paper
  • ISBN: 0262048132
  • ISBN-13: 9780262048132
  • 立即出貨 (庫存=1)

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商品描述

A student-oriented introduction to understanding mechanisms at the atomistic level controlling macroscopic materials phenomena through molecular dynamics simulations.

Machine-learning-based computation in materials innovation, performance optimization, and sustainability offers exciting opportunities at the mesoscale research frontier. Molecular Mechanisms in Materials presents research findings and insights about material behavior at the molecular level and its impact on macroscopic properties. The book's fifteen essays represent author Sidney Yip's work in atomistic modeling and materials simulation over more than five decades. The phenomena are grouped into five basic types: fluctuations in simple fluids, crystal melting, plasticity and fracture, glassy relaxations, and amorphous rheology, all focused on molecular mechanisms in base materials.

The organizing principle of Molecular Mechanisms in Materials is multiscale modeling and simulation, where conceptual models and simulation techniques are linked across the micro-to-macro length and time scales to control the outcome of specific materials processes. Each essay addresses a specific standalone topic of materials phenomena while also recognizing the larger context of materials science and technology. Individual case studies serve both as standalone essays and companion pieces to each other. Indeed, the global transformation of science and technology is well underway: in his epilogue, Yip discusses the potential of artificial intelligence and machine learning to enhance future materials for societal benefits in the face of global challenges such as climate change, energy sustainability, infrastructure renewal, and nuclear arms control.

商品描述(中文翻譯)

一本以學生為導向的介紹,旨在透過分子動力學模擬理解控制宏觀材料現象的原子級機制。

基於機器學習的計算在材料創新、性能優化和可持續性方面提供了在中尺度研究前沿的激動人心的機會。《材料中的分子機制》呈現了有關材料在分子層面行為及其對宏觀性質影響的研究成果和見解。這本書的十五篇論文代表了作者Sidney Yip在原子建模和材料模擬方面超過五十年的工作。這些現象被分為五種基本類型:簡單流體的波動、晶體熔化、塑性和斷裂、玻璃狀鬆弛以及非晶流變,所有這些都集中於基材料中的分子機制。

《材料中的分子機制》的組織原則是多尺度建模和模擬,將概念模型和模擬技術連結於微觀到宏觀的長度和時間尺度,以控制特定材料過程的結果。每篇論文針對材料現象的特定獨立主題,同時也認識到材料科學和技術的更大背景。個別案例研究既可作為獨立論文,也可作為彼此的補充。事實上,科學和技術的全球轉型已經在進行中:在他的結語中,Yip討論了人工智慧和機器學習在面對氣候變遷、能源可持續性、基礎設施更新和核武器控制等全球挑戰時,增強未來材料以造福社會的潛力。

作者簡介

Sidney Yip is Professor Emeritus of Nuclear Science and Engineering and Materials Science and Engineering at the Massachusetts Institute of Technology.

作者簡介(中文翻譯)

Sidney Yip 是麻省理工學院核科學與工程以及材料科學與工程的名譽教授。