FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2945334800> ?p ?o ?g. }

• W2945334800 endingPage "180" @default.
• W2945334800 startingPage "173" @default.
• W2945334800 abstract "Nitriding is the most widely employed thermochemical surface treatment to enhance the mechanical properties of steel. Specifically, gas nitriding, which is a low-temperature process for efficiently producing high-performance steels, has a disadvantage in that it consumes a large amount of time. To enhance the nitriding rate, we studied the surface alloying of iron (Fe) and its effect on ammonia (NH3) nitriding of Fe using a hierarchical protocol with density functional theory (DFT)-based microkinetics and real-time simulations. First, we considered the NH3 decomposition and nitrogen (N) diffusion mechanism on clean and alloyed (Fe-X) Fe (100) surfaces using DFT. In this study, the alloying elements including transition metals and period III to VI elements in the periodic table were considered for DFT-based computational screening. For the candidate Fe-X systems selected to improve the nitriding rate in the previous step, we calculated all the energy barriers for every elementary reaction step by varying the alloying elements and performed microkinetic analysis using those kinetic energy barriers to determine their influence on the nitriding rate. After adding consideration of thermodynamic factors, selected candidate alloys were subjected to detailed DFT calculations of the nitriding mechanism with N coverage, and based on these results, a kinetic Monte Carlo (kMC) simulation was performed to reconfirm the results under the actual nitriding process conditions. Through a hierarchical protocol, we performed a theoretical analysis and simulation of the effects of alloying elements on the nitriding rate that were not explained experimentally and suggested the best alloying element with the improved nitriding rate." @default.
• W2945334800 created "2019-05-29" @default.
• W2945334800 creator A5007750616 @default.
• W2945334800 creator A5015258274 @default.
• W2945334800 creator A5043656201 @default.
• W2945334800 creator A5052340292 @default.
• W2945334800 creator A5065096122 @default.
• W2945334800 date "2019-08-01" @default.
• W2945334800 modified "2023-10-17" @default.
• W2945334800 title "Hierarchical analysis of alloying element effects on gas nitriding rate of Fe alloys: A DFT, microkinetic and kMC study" @default.
• W2945334800 cites W1748598047 @default.
• W2945334800 cites W1967331768 @default.
• W2945334800 cites W1968426044 @default.
• W2945334800 cites W1968806376 @default.
• W2945334800 cites W1970127494 @default.
• W2945334800 cites W1971979294 @default.
• W2945334800 cites W1972256472 @default.
• W2945334800 cites W1973634181 @default.
• W2945334800 cites W1980682865 @default.
• W2945334800 cites W1981368803 @default.
• W2945334800 cites W1981892663 @default.
• W2945334800 cites W1983932593 @default.
• W2945334800 cites W1988600317 @default.
• W2945334800 cites W1998881968 @default.
• W2945334800 cites W2001523134 @default.
• W2945334800 cites W2007740449 @default.
• W2945334800 cites W2010114504 @default.
• W2945334800 cites W2013137291 @default.
• W2945334800 cites W2013374424 @default.
• W2945334800 cites W2013621555 @default.
• W2945334800 cites W2016364262 @default.
• W2945334800 cites W2018477684 @default.
• W2945334800 cites W202163244 @default.
• W2945334800 cites W2022336069 @default.
• W2945334800 cites W2036223873 @default.
• W2945334800 cites W2042407514 @default.
• W2945334800 cites W2058542700 @default.
• W2945334800 cites W2066846218 @default.
• W2945334800 cites W2067661603 @default.
• W2945334800 cites W2068010440 @default.
• W2945334800 cites W2076675531 @default.
• W2945334800 cites W2078201596 @default.
• W2945334800 cites W2081490318 @default.
• W2945334800 cites W2083222334 @default.
• W2945334800 cites W2104196136 @default.
• W2945334800 cites W2122427541 @default.
• W2945334800 cites W2126658081 @default.
• W2945334800 cites W2137559525 @default.
• W2945334800 cites W2141824760 @default.
• W2945334800 cites W2163508642 @default.
• W2945334800 cites W2321964464 @default.
• W2945334800 cites W2327063448 @default.
• W2945334800 cites W2328640011 @default.
• W2945334800 cites W2330519810 @default.
• W2945334800 cites W2513400897 @default.
• W2945334800 cites W2603654887 @default.
• W2945334800 cites W2756522707 @default.
• W2945334800 cites W2784104088 @default.
• W2945334800 doi "https://doi.org/10.1016/j.actamat.2019.05.039" @default.
• W2945334800 hasPublicationYear "2019" @default.
• W2945334800 type Work @default.
• W2945334800 sameAs 2945334800 @default.
• W2945334800 citedByCount "2" @default.
• W2945334800 countsByYear W29453348002021 @default.
• W2945334800 countsByYear W29453348002023 @default.
• W2945334800 crossrefType "journal-article" @default.
• W2945334800 hasAuthorship W2945334800A5007750616 @default.
• W2945334800 hasAuthorship W2945334800A5015258274 @default.
• W2945334800 hasAuthorship W2945334800A5043656201 @default.
• W2945334800 hasAuthorship W2945334800A5052340292 @default.
• W2945334800 hasAuthorship W2945334800A5065096122 @default.
• W2945334800 hasConcept C105795698 @default.
• W2945334800 hasConcept C13862629 @default.
• W2945334800 hasConcept C147597530 @default.
• W2945334800 hasConcept C152365726 @default.
• W2945334800 hasConcept C171250308 @default.
• W2945334800 hasConcept C185592680 @default.
• W2945334800 hasConcept C191897082 @default.
• W2945334800 hasConcept C192562407 @default.
• W2945334800 hasConcept C19499675 @default.
• W2945334800 hasConcept C2779227376 @default.
• W2945334800 hasConcept C33923547 @default.
• W2945334800 hasConcept C45786274 @default.
• W2945334800 hasConceptScore W2945334800C105795698 @default.
• W2945334800 hasConceptScore W2945334800C13862629 @default.
• W2945334800 hasConceptScore W2945334800C147597530 @default.
• W2945334800 hasConceptScore W2945334800C152365726 @default.
• W2945334800 hasConceptScore W2945334800C171250308 @default.
• W2945334800 hasConceptScore W2945334800C185592680 @default.
• W2945334800 hasConceptScore W2945334800C191897082 @default.
• W2945334800 hasConceptScore W2945334800C192562407 @default.
• W2945334800 hasConceptScore W2945334800C19499675 @default.
• W2945334800 hasConceptScore W2945334800C2779227376 @default.
• W2945334800 hasConceptScore W2945334800C33923547 @default.
• W2945334800 hasConceptScore W2945334800C45786274 @default.
• W2945334800 hasFunder F4320322030 @default.
• W2945334800 hasFunder F4320322120 @default.
• W2945334800 hasLocation W29453348001 @default.

• next