Results 111 to 120 of about 2,415 (216)

Toward Knowledge‐Based Workflows: A Semantic Approach to Atomistic Simulations for Mechanical and Thermodynamic Properties

Advanced Engineering Materials, Volume 28, Issue 14, 22 July 2026.
Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán, Hoang‐Thien Luu, Sarath Menon, Tilmann Hickel, Nina Merkert, Stefan Sandfeld   +5 more
wiley   +1 more source

Uncovering piezoelectric effect in polycrystalline diamond membranes. [PDF]

Sci Adv
Jing J, Wang B, Luo Y, Wang Y, Wang Z, Liu Y, Ki DK, Shi X, Wang Q, Li KH, Lin Y, Chu Z.   +11 more
europepmc   +1 more source

The Elastic Fluctuation Tensor: Quantifying Stochastic Fluctuations of the Apparent Stiffness of Non-representative Microstructure Volume Elements. [PDF]

J Elast
Krause M, Schneider M.
europepmc   +1 more source

Mapping the Residual Stress Distribution in Polycrystalline Quartz Tiger's Eye Using Raman Spectroscopy. [PDF]

Small Methods
Kidman GC, Salamat A, Patterson BM, Hooks DE, Burnley PC.   +4 more
europepmc   +1 more source

In Vitro and In Vivo Evaluation of Yttria-Niobia-Stabilized Zirconia Sandblasted Surface at Bone-Implant Interface with 3-Dimensional Visualization via Advanced Hard Tissue Clearing. [PDF]

Biomater Res
Cha CR, Kim YS, Imazato S, Kim DJ, Seol YJ, Park CJ, Yeo IL.   +6 more
europepmc   +1 more source

Single-crystal orientation lithium for ultra-stable all-solid-state batteries. [PDF]

Natl Sci Rev
Li Q, Chen L, Jiao J, Zhao Y, Weng S, Zhao J, Ma J, Li Y, Lai G, Wu S, An X, Yang K, Biao J, Cheng X, Shi K, Zheng J, Wang X, Tang Y, Liu M, Peng L, Lv W, Lu J, Kang F, Yang QH, He YB.   +24 more
europepmc   +1 more source

Triethylamine vapor-induced cyclization reaction in cocrystals leading to cocrystal-to-polycrystal transformation. [PDF]

Nat Commun
Zhu L, Zhao X, Niu Y, Hu L, Dou W, Yang HB, Xu L, Tang BZ.   +7 more
europepmc   +1 more source

Scattering of Neutrons in Polycrystals

Physical Review, 1947
openaire   +2 more sources

Synergistically Optimizing the Thermoelectric Performance of n-Type SnS through an Integrated Systematic Approach. [PDF]

ACS Appl Mater Interfaces
Duraisamy S, Chen YY, Chen KH, Wu MK, Peramaiyan G, Ranganayakulu VK, Wollele MB, Ou MN.   +7 more
europepmc   +1 more source

Designing for cooperative grain boundary segregation in multicomponent alloys. [PDF]

Proc Natl Acad Sci U S A
Wagih M, Naunheim Y, Lei T, Schuh CA.
europepmc   +1 more source