Class information for:
Level 2: REAXFF//DEFECT DISORDER//TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
2949 2678 29.7 53%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
2 4 MATERIALS SCIENCE, MULTIDISCIPLINARY//PHYSICS, APPLIED//PHYSICS, CONDENSED MATTER 2836879
505 3       ZHURNAL NAUCHNOI I PRIKLADNOI FOTOGRAFII//SOLID STATE IONICS//SOLID ELECTROLYTE 21947
2949 2             REAXFF//DEFECT DISORDER//TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS 2678
11876 1                   CHARGE OF TRANSPORT//CO1 DELTA O//KINETIC DEMIXING 947
19930 1                   CO1 XO//TIO2 II//LASER ABLATION CONDENSATION 483
22628 1                   DEFECT DISORDER//MAT ENERGY CONVERS//SOLAR ENERGY TECHNOL GRP 374
24752 1                   REAXFF//REACTIVE MOLECULAR DYNAMICS//REACTIVE FORCE FIELD 302
26750 1                   ENVIRONM ORDNANCE SYST//VIBRATIONS OF SOLID SURFACES AND INTERFACES//ROYAL MIL SCI 246
32365 1                   HIGH PERFORMANCE SIMULATION//AMORPHOUS TITANIA GROWTH//ATOMIC INTERACTION FORCE 140
33074 1                   TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS//COMBINATORIAL COMPUTATIONAL CHEMISTRY//TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS METHOD 129
37465 1                   ANDERSONS ATTRACTIVE POTENTIAL//3D TRANSITION METAL OXIDE//A POLARIZABLE POINT ION SHELL MODEL 57

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 REAXFF authKW 162664 1% 42% 34
2 DEFECT DISORDER authKW 120413 0% 81% 13
3 TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS authKW 98528 0% 79% 11
4 MAT ENERGY CONVERS address 93366 2% 15% 55
5 ENVIRONM ORDNANCE SYST address 78528 1% 33% 21
6 SOLAR ENERGY TECHNOL GRP address 72960 0% 80% 8
7 REACTIVE MOLECULAR DYNAMICS authKW 58617 0% 43% 12
8 CHARGE OF TRANSPORT authKW 57002 0% 100% 5
9 CO1 DELTA O authKW 57002 0% 100% 5
10 CO1 XO authKW 57002 0% 100% 5

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 Physics, Condensed Matter 8085 30% 0% 798
2 Chemistry, Physical 4908 30% 0% 804
3 Materials Science, Multidisciplinary 2731 25% 0% 659
4 Materials Science, Ceramics 2709 7% 0% 177
5 Metallurgy & Metallurgical Engineering 1475 9% 0% 233
6 Physics, Applied 813 14% 0% 374
7 Nanoscience & Nanotechnology 719 6% 0% 173
8 Physics, Atomic, Molecular & Chemical 527 7% 0% 182
9 Chemistry, Multidisciplinary 384 11% 0% 287
10 Mineralogy 342 2% 0% 48

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 MAT ENERGY CONVERS 93366 2% 15% 55
2 ENVIRONM ORDNANCE SYST 78528 1% 33% 21
3 SOLAR ENERGY TECHNOL GRP 72960 0% 80% 8
4 SYNERGY CERAM MAT 34201 0% 100% 3
5 SOLAR ENERGY TECHNOL 31335 0% 25% 11
6 MAT OPTOELECT SCI 27069 1% 6% 40
7 ABORAT ADV COMP SIMULAT 25650 0% 75% 3
8 NEW IND CREAT HATCHERY 24710 2% 4% 50
9 BIONENERGY CATALYSIS 22801 0% 100% 2
10 HIGH TECHNOL SERV GRP 22801 0% 100% 2

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 SOLID STATE IONICS 20480 6% 1% 154
2 JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 19794 5% 1% 134
3 MATERIALS CHEMISTRY 12822 0% 38% 3
4 PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES 9761 2% 2% 56
5 BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS 8617 2% 1% 59
6 JOURNAL OF THE AMERICAN CERAMIC SOCIETY 5225 4% 1% 94
7 OXIDATION OF METALS 4046 1% 1% 26
8 CRYSTAL LATTICE DEFECTS AND AMORPHOUS MATERIALS 2229 0% 2% 8
9 ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-WIESBADEN 2053 0% 2% 9
10 JOURNAL OF SOLID STATE CHEMISTRY 2043 2% 0% 52

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 REAXFF 162664 1% 42% 34 Search REAXFF Search REAXFF
2 DEFECT DISORDER 120413 0% 81% 13 Search DEFECT+DISORDER Search DEFECT+DISORDER
3 TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS 98528 0% 79% 11 Search TIGHT+BINDING+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS Search TIGHT+BINDING+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS
4 REACTIVE MOLECULAR DYNAMICS 58617 0% 43% 12 Search REACTIVE+MOLECULAR+DYNAMICS Search REACTIVE+MOLECULAR+DYNAMICS
5 CHARGE OF TRANSPORT 57002 0% 100% 5 Search CHARGE+OF+TRANSPORT Search CHARGE+OF+TRANSPORT
6 CO1 DELTA O 57002 0% 100% 5 Search CO1+DELTA+O Search CO1+DELTA+O
7 CO1 XO 57002 0% 100% 5 Search CO1+XO Search CO1+XO
8 TIO2 II 51299 0% 75% 6 Search TIO2+II Search TIO2+II
9 KINETIC DEMIXING 46546 0% 58% 7 Search KINETIC+DEMIXING Search KINETIC+DEMIXING
10 LASER ABLATION CONDENSATION 45602 0% 100% 4 Search LASER+ABLATION+CONDENSATION Search LASER+ABLATION+CONDENSATION

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref.
in cl.		 Shr. of ref. in
cl.		 Citations
1 STOKLOSA, A , (2012) POINT DEFECT DIAGRAMS FOR PURE AND DOPED TITANIUM (IV) OXIDE TIO2-DELTA IN TEMPERATURE RANGE OF 1073-1573 K.ADVANCES IN APPLIED CERAMICS. VOL. 111. ISSUE 1-2. P. 44 -61 54 84% 0
2 HAN, Y , JIANG, DD , ZHANG, JL , LI, W , GAN, ZX , GU, JJ , (2016) DEVELOPMENT, APPLICATIONS AND CHALLENGES OF REAXFF REACTIVE FORCE FIELD IN MOLECULAR SIMULATIONS.FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING. VOL. 10. ISSUE 1. P. 16 -38 53 37% 2
3 SWAMY, V , WILSON, NC , (2014) FIRST-PRINCIPLES CALCULATIONS OF THE PRESSURE STABILITY AND ELASTICITY OF DENSE TIO2 PHASES USING THE B3LYP HYBRID FUNCTIONAL.JOURNAL OF PHYSICAL CHEMISTRY C. VOL. 118. ISSUE 16. P. 8617 -8625 35 58% 7
4 MARTIN, M , (1991) TRANSPORT AND DEGRADATION IN TRANSITION-METAL OXIDES IN CHEMICAL-POTENTIAL GRADIENTS.MATERIALS SCIENCE REPORTS. VOL. 7. ISSUE 1-2. P. 3-86 53 79% 2
5 DONG, HK , LI, MB , QI, GQ , XIU, XM , SHI, LB , (2016) THE STRUCTURAL PHASE TRANSITION AND PHASE STABILITY OF TIO2 (P42/NMC) UNDER HIGH PRESSURE FROM FIRST-PRINCIPLES CALCULATIONS.PHYSICA SCRIPTA. VOL. 91. ISSUE 1. P. - 28 67% 0
6 CAI, YQ , ZHANG, C , FENG, YP , (2011) DIELECTRIC PROPERTIES AND LATTICE DYNAMICS OF ALPHA-PBO2-TYPE TIO2: THE ROLE OF SOFT PHONON MODES IN PRESSURE-INDUCED PHASE TRANSITION TO BADDELEYITE-TYPE TIO2.PHYSICAL REVIEW B. VOL. 84. ISSUE 9. P. - 28 70% 9
7 WORRAL, E , COLEY, KS , (2013) DEFECT STRUCTURE OF PSEUDO PHASES OF WUSTITE.CANADIAN METALLURGICAL QUARTERLY. VOL. 52. ISSUE 1. P. 23 -33 28 68% 0
8 LEE, DK , YOO, HI , (2008) ELECTRICAL CONDUCTIVITY AND OXYGEN NONSTOICHIOMETRY OF ACCEPTOR (GA)-DOPED TITANIA.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 10. ISSUE 45. P. 6890 -6898 23 85% 5
9 LIU, QJ , RAN, Z , LIU, FS , LIU, ZT , (2015) PHASE TRANSITIONS AND MECHANICAL STABILITY OF TIO2 POLYMORPHS UNDER HIGH PRESSURE.JOURNAL OF ALLOYS AND COMPOUNDS. VOL. 631. ISSUE . P. 192 -201 32 46% 6
10 DONG, ZH , XIAO, FP , ZHAO, AK , LIU, LJ , SHAM, TK , SONG, Y , (2016) PRESSURE INDUCED STRUCTURAL TRANSFORMATIONS OF ANATASE TIO2 NANOTUBES PROBED BY RAMAN SPECTROSCOPY AND SYNCHROTRON X-RAY DIFFRACTION.RSC ADVANCES. VOL. 6. ISSUE 80. P. - 27 57% 0

Classes with closest relation at Level 2


Rank Class id link
1 2017 MAGNESIUM OXIDE//SURFACE SCIENCE//DIPARTIMENTO SCI MAT
2 2536 DIFFUS SOLIDS GRP//KIRKENDALL EFFECT//DICTRA
3 1199 OXIDATION OF METALS//HIGH TEMPERATURE CORROSION//HIGH TEMPERATURE OXIDATION
4 2777 SOLID STATE IONICS//SUPERIONIC CONDUCTOR//COMPOSITE SOLID ELECTROLYTE
5 1 PHOTOCATALYSIS//TIO2//PHOTOCATALYST
6 3188 NEAT ORU//PETER A ROCK THERMOCHEM//PROBLEMS GEOTHERMY
7 2000 ZIRCONIA//ZRO2//ZIRCONIUM TITANATE
8 2494 MAT SCI PROC ANHUI PROV//PHYSICS AND CHEMISTRY OF MINERALS//TRIDYMITE
9 931 QUASICONTINUUM METHOD//NANOCRYSTALLINE METALS//MAEAM
10 921 LOWER MANTLE//BAYER GEO//HIGH PRESSURE

Go to start page