First-principles and machine learning investigations into the atomic and mechanical properties of cement hydrates

First-principles and machine learning investigations into the atomic and mechanical properties of cement hydrates

Concrete is the second most used substance in the world after water, with more than 35 billion tonnes produced annually. Yet, understanding the atomic and mechanical properties of its principal component, calcium-silicate-hydrate (C-S-H)—the complex binder phase of concrete—remains a considerable ch...

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Bibliografiske detaljer
Hovedforfatter: Balarezo Balarezo, Juan Gabriel (author)
Format: bachelorThesis
Udgivet: 2025
Fag:
Teoría del Funcional de Densidad
Aprendizaje automático
Campos de fuerza
Density Functional Theory
Machine learning
Force fields
Online adgang:https://repositorio.yachaytech.edu.ec/handle/123456789/1025
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