First-Principles Calculation on the Adsorption of Ethylene-Acrylic Acid Molecules on Chromium Oxide Surfaces. [PDF]
Iwai H, Tsuji Y.
europepmc +1 more source
Patients improve, patterns persist: longitudinal stability of RA joint involvement patterns
Objective Rheumatoid arthritis is a heterogeneous disease. Data‐driven approaches, from synovial histology to joint involvement patterns (JIPs), have sought to define clinically meaningful subgroups. Whether these subgroups represent stable phenotypes or transient disease states remains unclear.
Tjardo Maarseveen +24 more
wiley +1 more source
Mechanical and Thermodynamic Properties of Al<sub>11</sub>(Ce, M)<sub>3</sub> (M = La, Nd) Phases in Heat-Resistant Aluminum: A First-Principles Calculation Study. [PDF]
Wang Y, Sun K, Zhao D.
europepmc +1 more source
Atomic-Scale Superlubricity in Ti2CO2@MoS2 Layered Heterojunctions Interface: A First Principles Calculation Study. [PDF]
Zhang Y +7 more
europepmc +1 more source
A Q‐Learning Algorithm to Solve the Two‐Player Zero‐Sum Game Problem for Nonlinear Systems
A Q‐learning algorithm to solve the two‐player zero‐sum game problem for nonlinear systems. ABSTRACT This paper deals with the two‐player zero‐sum game problem, which is a bounded L2$$ {L}_2 $$‐gain robust control problem. Finding an analytical solution to the complex Hamilton‐Jacobi‐Issacs (HJI) equation is a challenging task.
Afreen Islam +2 more
wiley +1 more source
Modelling and first-principles calculation of low frequency quasy-localized vibrations of soft and rigid As-
Holomb, R.M. +4 more
core
A First-Principles Calculation Study of the Catalytic Properties of Two-Dimensional Bismuthene Materials for Carbon Dioxide Reduction. [PDF]
Wang CT, Yue Q, Wang C, Xu Y, Zhou C.
europepmc +1 more source
Study of the structural, electronic, magnetic and magnetocaloric properties of La0.5Ca0.5Mn0.9V0.1O3 sample: first-principles calculation (DFT-MFT). [PDF]
Mabrouki A +4 more
europepmc +1 more source
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez +5 more
wiley +1 more source
Reactions of excess hydrogen at a Si(111) surface with H termination: First-principles calculations
Tsetseris, L, Pantelides, S
core +1 more source

