cond-mat.mtrl-sci papers

Condensed matter physics and materials science form a dynamic partnership, exploring how the collective behavior of atoms gives rise to the unique properties of solids and liquids. This field bridges the gap between fundamental quantum mechanics and the practical engineering of everything from flexible electronics to superconductors, turning abstract theories into tangible innovations that shape our daily lives.

At Gist.Science, we process every new preprint in this category directly from arXiv to make these complex discoveries accessible to everyone. Our team generates both plain-language overviews and detailed technical summaries for each paper, ensuring that researchers, students, and curious minds alike can grasp the latest breakthroughs without getting lost in dense jargon.

Below are the latest papers in condensed matter and materials science, organized by their most recent publication dates.

🔬 materials science

Dynamics and Structural Transformations of Carbon Onion-Like under High-Velocity Impacts

Using fully atomistic reactive molecular dynamics simulations, this study reveals that carbon nano-onions undergo distinct structural transformations upon high-velocity impact against a rigid substrate, transitioning from quasi-elastic deformation to diamondoid-like core formation via $sp^2$ -to- $sp^3$ conversion, and finally to fragmentation into linear carbon chains as impact velocity increases from 2 to 7 km/s.

M. L. Pereira Júnior, W. F. da Cunha, R. T. de Sousa Júnior, G. D. Amvame Nzeb, D. S. Galvão, L. A. Ribeiro Júnior2026-09-09

🔬 materials science

On the Thermomechanical Properties and Fracture Patterns of the Novel Nonbenzenoid Carbon Allotrope (Biphenylene Network): A Reactive Molecular Dynamics Study

This study employs reactive molecular dynamics simulations to reveal that the novel biphenylene network (BPN) exhibits exceptional thermomechanical properties comparable to graphene, including a Young's modulus of ~1019.4 GPa and a melting point of ~4024 K, while demonstrating a unique, direction-dependent inelastic fracture process involving four distinct morphological transitions that are suppressed by the presence of nanocracks.

M. L. Pereira Júnior, W. F. da Cunha, R. T. de Sousa Junior, G. D. Amvame Nze, D. S. Galvão, L. A. Ribeiro Júnior2026-09-09

🔬 mesoscale physics

Irida-Graphene: A New 2D Carbon Allotrope

This study computationally proposes and characterizes Irida-Graphene, a new stable, metallic 2D carbon allotrope composed of fused 3-6-8 rings, which exhibits promising mechanical properties and unique optical capabilities as a violet light collector.

M. L. Pereira Junior, W. F. da Cunha, W. F. Giozza, R. T. de Sousa Junior, L. A. Ribeiro Junior2026-09-09

🔬 mesoscale physics

On the Mechanical, Electronic, and Optical Properties of 8-16-4 Graphyne: A 2D Carbon Allotrope with Dirac Cones

This study employs density functional theory and reactive molecular dynamics to characterize the stable, semi-metallic nature of the 8-16-4 Graphyne allotrope, highlighting its unique dual Dirac cones, infrared optical activity, and unprecedented resilience of its band structure under moderate strain.

Raphael M. Tromer, Marcelo L. Pereira Junior, Kleuton A. L. Lima, Alexandre F. Fonseca, Luciano R. da Silva, Douglas S. (…)2026-09-09

🔬 mesoscale physics

Exploring the Elastic Properties and Fracture Patterns of Me-Graphene Monolayers and Nanotubes through Reactive Molecular Dynamics Simulations

Using reactive molecular dynamics simulations with the Tersoff force field, this study reveals that Me-graphene monolayers and nanotubes exhibit Young's moduli ranging from approximately 414 to 483 GPa and undergo brittle fracture directly from the elastic regime without plastic deformation.

Marcelo L. Pereira Junior, José. M. De Sousa, Wjefferson H. S. Brandão, Douglas. S. Galvão, Alexandre F. Fonseca, Luiz A (…)2026-09-09

🔬 materials science

Elastocaloric Effect in Graphene Kirigami

This study utilizes molecular dynamics simulations to demonstrate that a one-atom-thick graphene kirigami monolayer exhibits a significant elastocaloric effect with a heating temperature change of approximately 9.32 K and a cooling change of -3.50 K, outperforming macroscopic counterparts while avoiding complex temperature distributions.

Luiz A. Ribeiro Junior, Marcelo L. Pereira Junior, Alexandre F. Fonseca2026-09-09

🔬 materials science

Visualizing the Zhang-Rice singlet, molecular orbitals and pair formation in cuprate

Using scanning tunneling microscopy on hole-doped $\mathrm{Ca_2CuO_2Cl_2}$ , this study visualizes the formation of localized Zhang-Rice singlets that evolve into delocalized molecular orbitals with stripe-like patterns, proposing that these states mediate Cooper pair formation through the antiferromagnetic spin background.

Shusen Ye, Jianfa Zhao, Zhiheng Yao, Sixuan Chen, Zehao Dong, Xintong Li, Luchuan Shi, Qingqing Liu, Changqing Jin, Yayu (…)2026-09-09

🔬 materials science

Feature Spectrum Topology

The paper proposes "feature spectrum topology," a novel framework that characterizes topological phases in quantum materials by analyzing ground-state partitions based on internal degrees of freedom, thereby enabling the detection of topological properties in systems with broken symmetries where traditional symmetry-based methods fail.

Baokai Wang, Yi-Chun Hung, Xiaoting Zhou, Tzen Ong, Hsin Lin2026-09-09

🔬 materials science

Reversal in Thermally Driven Rotation of Chiral Liquid Crystal Droplets

This study reveals that cholesteric liquid crystal droplets exhibit a reversal in thermally driven rotational direction dependent on droplet size and temperature, demonstrating that thermomechanical coupling is fundamentally governed by molecular orientational order rather than just molecular chirality.

Shunsuke Takano, Takuya Nakanishi, Kenta Nakagawa, Toru Asahi2026-09-09

🔬 materials science

Irida-Graphene Phonon Thermal Transport via Non-equilibrium Molecular Dynamics Simulations

This study utilizes non-equilibrium molecular dynamics simulations to reveal that the newly proposed 2D carbon allotrope, Irida-Graphene, exhibits an intrinsic room-temperature thermal conductivity of approximately 215 W/mK—significantly lower than pristine graphene due to phonon scattering from its porous 3-6-8 ring structure and reduced group velocities—while maintaining isotropic thermal transport with notable size effects.

Isaac M. Felix, Raphael M. Tromer, Leonardo D. Machado, Douglas S. Galvão, Luiz A. Ribeiro, Marcelo L. Pereira2026-09-09

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