Publications by Carolina Baruffi

Vacancy segregation and intrinsic coordination defects at (111) twist grain boundaries in diamond

High radiation damage resistance has become increasingly important for applications of functional materials in harsh environments. The high radiation damage resistance diamond cubic carbon is a unique material which is considered for radiation environments ...

Pergamon-Elsevier Science Ltd2023

The influence of lattice misfit on screw and edge dislocation-controlled solid solution strengthening in Mo-Ti alloys

William Curtin, Carolina Baruffi, You Rao

Mo-Ti alloys form solid solutions over a wide range of compositions, with lattice misfit parameters increasing significantly with titanium content. This indicates a strong increase in the critical stress for edge dislocation motion. Here, we probe the tran ...

SPRINGERNATURE2023

Screw vs. edge dislocation strengthening in body-centered-cubic high entrophy alloys and implications for guided alloy design

William Curtin, Francesco Maresca, Carolina Baruffi

Body-centered-cubic (BCC) high entropy alloys (HEAs) can show exceptionally high strength up to high temperatures. Mechanistic theories are needed to guide alloy discovery within the immense multicomponent HEA compositional space. Here, two new theories fo ...

SPRINGER HEIDELBERG2022

Theory of spontaneous grain boundary roughening in high entropy alloys

William Curtin, Carolina Baruffi

High Entropy Alloys (HEAs) are a new broad class of near-random solid solution alloys that can possess some impressive mechanical and physical properties including high stability against grain growth (i.e. low grain boundary (GB) mobility). Here, it is sho ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Theory-guided design of high-strength, high-melting point, ductile, low-density, single-phase BCC high entropy alloys

William Curtin, Christian Leinenbach, Carolina Baruffi, You Rao

The search for new high-temperature alloys that can enable higher-efficiency/lower-emissions power generation has accelerated with the discovery of body-centered cubic (bcc) refractory High Entropy Alloys (HEAs). These many-component, non-dilute alloys in ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Atomistic simulation of martensite microstructural evolution during temperature driven beta -> alpha transition in pure titanium

Carolina Baruffi

Titanium and its alloys undergo temperature-driven martensitic phase transformation leading to the development of complex microstructures at mesoscale. Optimizing the mechanical properties of these materials requires an understanding of the correlations be ...

2022

On the structure of (111) twist grain boundaries in diamond: atomistic simulations with Tersoff-type interatomic potentials

Carolina Baruffi

In nanocrystalline diamond thin films, the high grain boundary density and the associated grain boundary properties may dominate the overall material behavior. In the present work, we systematically investigate (111) twist grain boundaries in diamond carbo ...

PERGAMON-ELSEVIER SCIENCE LTD2021