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The microstructure, electronic structure, and chemical bonding of chromium carbide thin films with different carbon contents have been investigated with high-resolution transmission electron microscopy, electron energy loss spectroscopy and…
We construct a homogeneous, nonlinear elastic constitutive law, that models aspects of the mechanical behavior of inhomogeneous fibrin networks. Fibers in such networks buckle when in compression. We model this as a loss of stiffness in…
Constitutive laws relate fluid stress to deformation and underpin predictions of non-Newtonian behavior in industrial and biological fluids. Standard characterization relies on measurements in idealized flows that often miss physics…
Solution-phase bottom up self-assembly of nanocrystals into superstructures such as ordered superlattices is an attractive strategy to generate functional materials of increasing complexity, including very recent advances that incorporate…
Two-dimensional (2D) in-plane heterostructures including compositionally graded alloys and lateral heterostructures with defined interfaces display rich optoelectronic properties and offer versatile platforms to explore one-dimensional…
High entropy oxides (HEOs) are a class of materials with vast compositional space and tunable properties, making them attractive for applications in thermoelectrics, magnetism, ionic conduction, and beyond. However, their metastable nature…
The elastic properties of materials derive from their electronic and atomic nature. However, simulating bulk materials fully at these scales is not feasible, so that typically homogenized continuum descriptions are used instead. A seamless…
A physically consistent framework for modeling materials with saturating deformation, such as elastomers and biological tissues, is provided by strain-limiting elasticity. Fundamental limitations of classical elasticity are addressed…
The growth and microstructural properties of ternary monolayers of two-dimensional hexagonal materials are examined, including both individual two-dimensional crystalline grains and in-plane heterostructures, multijunctions, or…
A theoretical investigation of the effects of elastic coherency on the thermodynamics, kinetics, and morphology of intercalation in single LiFePO4 nanoparticles yields new insights into this important battery material. Anisotropic elastic…
We develop a thermodynamic description of accumulation-layer heterostructures in which the induced sheet density is partitioned between the near-interface accumulation-layer charge and a complementary screening charge in the surrounding…
Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with…
Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…
It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…
Ultrathin passive films effectively prevent the chemical attack of stainless steel grades in corrosive environments; their stability critically depends on the interplay between structure and chemistry of the constituents Fe-Cr-Mo. In…
An algorithm is developed for structure identification of amorphous carbonaceous nanomaterials with a joint x-ray and neutron diffraction data analysis, using the data on the chemical composition of the sample from other diagnostics. The…
Finding an accurate stress-strain relation, able to describe the mechanical behavior of metals during {forming} and machining processes, is an important challenge in several fields of mechanics, with significant repercussions in the…
This review article highlights state-of-the-art data-driven techniques to discover, encode, surrogate, or emulate constitutive laws that describe the path-independent and path-dependent response of solids. Our objective is to provide an…
Atomistic structures of materials offer valuable insights into their functionality. Determining these structures remains a fundamental challenge in materials science, especially for systems with defects. While both experimental and…
This paper proposes a physio-chemically-based constitutive framework to simulate and predict the response of semi-crystalline low-density polyethylene (LDPE) to severe photo-oxidation. Photo-oxidation induced by exposure to Ultra-Violet…