-
1
-
-
33846920064
-
Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets
-
Khare R., Mielke S. L., Paci J. T., Zhang S., Ballarini R., Schatz G. C., and Belytschko T. (2007). "Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets", Phys. Rev. B, 75, p. 075412.
-
(2007)
Phys. Rev. B
, vol.75
, pp. 075412
-
-
Khare, R.1
Mielke, S.L.2
Paci, J.T.3
Zhang, S.4
Ballarini, R.5
Schatz, G.C.6
Belytschko, T.7
-
2
-
-
48049095490
-
Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes
-
Khare R., Mielke S. L., Schatz G. C., and Belytschko T. (2008). "Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes", Comput. Methods Appl. Mech. Engrg, 197, p. 3190-3202.
-
(2008)
Comput. Methods Appl. Mech. Engrg
, vol.197
, pp. 3190-3202
-
-
Khare, R.1
Mielke, S.L.2
Schatz, G.C.3
Belytschko, T.4
-
3
-
-
77149149923
-
Solubility and diffusivity of hydrogen and helium at dislocations and in the stress field near a crack tip
-
Baskes M. I., Melius C. F., and Wilson W. D. (1980). "Solubility and diffusivity of hydrogen and helium at dislocations and in the stress field near a crack tip", Journal of Metals, 32, p. 14.
-
(1980)
Journal of Metals
, vol.32
, pp. 14
-
-
Baskes, M.I.1
Melius, C.F.2
Wilson, W.D.3
-
4
-
-
0020207759
-
Simulation of the (001) plane crack in α-iron employing a new boundary scheme
-
Mullins M. and Dokainish M. A. (1982). "Simulation of the (001) plane crack in α-iron employing a new boundary scheme", Phil. Mag. A, 46, p. 771-787.
-
(1982)
Phil. Mag. A
, vol.46
, pp. 771-787
-
-
Mullins, M.1
Dokainish, M.A.2
-
6
-
-
0026237358
-
Crack propagation in bcc crystals studied with a combined finite-element and atomistic model
-
Kohlhoff S., Gumbsch P., and Fischmeister H. F. (1991). "Crack propagation in bcc crystals studied with a combined finite-element and atomistic model". Phil. Mag. A, 64, p. 851-878.
-
(1991)
Phil. Mag. A
, vol.64
, pp. 851-878
-
-
Kohlhoff, S.1
Gumbsch, P.2
Fischmeister, H.F.3
-
7
-
-
0036778702
-
A coupled atomistic/ continuum model of defects in solids
-
Shilkrot L. E., Curtin W. A., and Miller R. E. (2002). "A coupled atomistic/ continuum model of defects in solids", J. Mech. Phys. Solids, 50, p. 2085-2106.
-
(2002)
J. Mech. Phys. Solids
, vol.50
, pp. 2085-2106
-
-
Shilkrot, L.E.1
Curtin, W.A.2
Miller, R.E.3
-
8
-
-
0030158774
-
Quasicontinuum analysis of defects in solids
-
Tadmor E. B., Ortiz M., and Phillips R. (1996). "Quasicontinuum analysis of defects in solids", Phil. Mag. A, 73, p. 1529-1563.
-
(1996)
Phil. Mag. A
, vol.73
, pp. 1529-1563
-
-
Tadmor, E.B.1
Ortiz, M.2
Phillips, R.3
-
9
-
-
0033100627
-
An adaptive methodology for atomic scale mechanics: the quasicontinuum method
-
Shenoy V. B., Miller R., Tadmor E. B., Rodney D., Phillips R., and Ortiz M. (1998). "An adaptive methodology for atomic scale mechanics: the quasicontinuum method", J. Mech. Phys. Sol., 47, p. 611-642.
-
(1998)
J. Mech. Phys. Sol.
, vol.47
, pp. 611-642
-
-
Shenoy, V.B.1
Miller, R.2
Tadmor, E.B.3
Rodney, D.4
Phillips, R.5
Ortiz, M.6
-
10
-
-
0035451516
-
An analysis of the quasicontinuum method
-
Knap J. and Ortiz M. (2001). "An analysis of the quasicontinuum method", J. Mech. Phys. Sol., 49, p. 1899-1923.
-
(2001)
J. Mech. Phys. Sol.
, vol.49
, pp. 1899-1923
-
-
Knap, J.1
Ortiz, M.2
-
11
-
-
0001259264
-
Coarse-grained molecular dynamics and the atomic limit of finite elements
-
Rudd R. E. and Broughton J. Q. (1998). "Coarse-grained molecular dynamics and the atomic limit of finite elements", Phys. Rev. B, 58, R5893-R5896.
-
(1998)
Phys. Rev. B
, vol.58
, pp. R5893-R5896
-
-
Rudd, R.E.1
Broughton, J.Q.2
-
12
-
-
0001525103
-
Spanning the length scales in dynamic simulation
-
Abraham F. F., Broughton J. Q., Bernstein N., and Kaxiras E. (1998). "Spanning the length scales in dynamic simulation", Computers in Physics, 12, p. 538-546.
-
(1998)
Computers in Physics
, vol.12
, pp. 538-546
-
-
Abraham, F.F.1
Broughton, J.Q.2
Bernstein, N.3
Kaxiras, E.4
-
13
-
-
17244374413
-
Concurrent coupling of length scales: methodology and application
-
Broughton J. Q., Abraham F. F., Bernstein N., and Kaxiras E. (1999). "Concurrent coupling of length scales: methodology and application", Phys. Rev. B, 60, p. 2391-2403.
-
(1999)
Phys. Rev. B
, vol.60
, pp. 2391-2403
-
-
Broughton, J.Q.1
Abraham, F.F.2
Bernstein, N.3
Kaxiras, E.4
-
14
-
-
0042858270
-
Coupling of atomistic and continuum simulations using a bridging scale decomposition
-
Wagner G. J. and Liu W. K. (2003). "Coupling of atomistic and continuum simulations using a bridging scale decomposition", J. Comput. Physi., 190, p. 249-274.
-
(2003)
J. Comput. Physi.
, vol.190
, pp. 249-274
-
-
Wagner, G.J.1
Liu, W.K.2
-
15
-
-
39749141475
-
Multi-scale aggregating discontinuities: a method for circumventing loss of material stability
-
Song J.-H., Loehnert S., and Belytschko T. (2008). "Multi-scale aggregating discontinuities: a method for circumventing loss of material stability". Int. J. Numer. Mech. Engng, 73, p. 869-894.
-
(2008)
Int. J. Numer. Mech. Engng
, vol.73
, pp. 869-894
-
-
Song, J.-H.1
Loehnert, S.2
Belytschko, T.3
-
16
-
-
34547608750
-
Implementation aspects of the bridging scale method and application to intersonic crack propagation
-
Farrell D. E., Park H. S., and Liu W. K. (2007). "Implementation aspects of the bridging scale method and application to intersonic crack propagation", Int. J. Numer. Meth. Engng, 71, p. 583-605.
-
(2007)
Int. J. Numer. Meth. Engng
, vol.71
, pp. 583-605
-
-
Farrell, D.E.1
Park, H.S.2
Liu, W.K.3
-
17
-
-
0034300238
-
Minimizing boundary reflections in coupled-domain simulation
-
Cai W., Koning M., Bulatov V. V., and Yip S. (2000). "Minimizing boundary reflections in coupled-domain simulation", Phys. Rev. Lett., 85, p. 3213-3216.
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 3213-3216
-
-
Cai, W.1
Koning, M.2
Bulatov, V.V.3
Yip, S.4
-
18
-
-
42749099174
-
Matching conditions in atomistic-continuum modeling of materials
-
E.W.
-
E W. and Huang Z. (2001). "Matching conditions in atomistic-continuum modeling of materials", Phys. Rev. Lett., 87, p. 135501.
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 135501
-
-
Huang, Z.1
-
19
-
-
33749233527
-
Perfectly matched multiscale simulations
-
To A. and Li S. F. (2005). "Perfectly matched multiscale simulations", Phys. Rev. B, 72, p. 035414.
-
(2005)
Phys. Rev. B
, vol.72
, pp. 035414
-
-
To, A.1
Li, S.F.2
-
20
-
-
28044459877
-
A perfectly matched layer for the absorption of electromagnetic waves
-
Berenger J. P. (1994). "A perfectly matched layer for the absorption of electromagnetic waves", J. Comput. Phys., 114, p. 185-200.
-
(1994)
J. Comput. Phys.
, vol.114
, pp. 185-200
-
-
Berenger, J.P.1
-
21
-
-
1842686579
-
A bridging domain method for coupling continua with molecular dynamics
-
Xiao S. P. and Belytschko T. (2004). "A bridging domain method for coupling continua with molecular dynamics", Comput. Meth. Appl. Mech. Eng., 193, p. 1645-1669.
-
(2004)
Comput. Meth. Appl. Mech. Eng.
, vol.193
, pp. 1645-1669
-
-
Xiao, S.P.1
Belytschko, T.2
-
22
-
-
1842746029
-
Coupling methods for continuum model with molecular model
-
Belytschko T. and Xiao S. P. (2003). "Coupling methods for continuum model with molecular model", Int. J. Numer. Meth. Engng, 1, p. 115-126.
-
(2003)
Int. J. Numer. Meth. Engng
, vol.1
, pp. 115-126
-
-
Belytschko, T.1
Xiao, S.P.2
-
23
-
-
34247146274
-
On the L 2 and the H 1 couplings for an overlapping domain decomposition method using Lagrange multipliers
-
Guidault P. A. and Belytschko T. (2007). "On the L 2 and the H 1 couplings for an overlapping domain decomposition method using Lagrange multipliers", Int. J. Numer. Meth. Engng, 70, p. 322-350.
-
(2007)
Int. J. Numer. Meth. Engng
, vol.70
, pp. 322-350
-
-
Guidault, P.A.1
Belytschko, T.2
-
24
-
-
34548337279
-
Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force
-
Fish J., Nuggehally M. A., Shephard M. S., Picu C. R., Badia S., Parks M. L., and Gunzburger M. (2007). "Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force", Comput. Methods Appl. Mech. Engng, 196, p. 4548-4560.
-
(2007)
Comput. Methods Appl. Mech. Engng
, vol.196
, pp. 4548-4560
-
-
Fish, J.1
Nuggehally, M.A.2
Shephard, M.S.3
Picu, C.R.4
Badia, S.5
Parks, M.L.6
Gunzburger, M.7
-
25
-
-
18544383450
-
Multiscale modeling of the dynamics of solids at finite temperature
-
E.W.
-
Li X. and E W. (2005). "Multiscale modeling of the dynamics of solids at finite temperature". J. Mech. Phys. Solids, 53, p. 1650-1685.
-
(2005)
J. Mech. Phys. Solids
, vol.53
, pp. 1650-1685
-
-
Li, X.1
-
27
-
-
15744378585
-
The Arlequin method as a flexible engineering desing tool
-
Dhia H. B. and Rateau G. (2005). "The Arlequin method as a flexible engineering desing tool", Int. J. Numer. Mech. Engng, 62, p. 1442-1462.
-
(2005)
Int. J. Numer. Mech. Engng
, vol.62
, pp. 1442-1462
-
-
Dhia, H.B.1
Rateau, G.2
-
28
-
-
0034677856
-
FE2 multiscale approach for modelling the elastoviscoplasitic behavior of long fibre SiC/Ti composite materials
-
Feyel F. and Chaboche J. L. (2000). "FE2 multiscale approach for modelling the elastoviscoplasitic behavior of long fibre SiC/Ti composite materials", Comput. Methods Appl. Mech. Engng, 183, p. 309-330.
-
(2000)
Comput. Methods Appl. Mech. Engng
, vol.183
, pp. 309-330
-
-
Feyel, F.1
Chaboche, J.L.2
-
29
-
-
0035088146
-
An approach to micro-macro modeling of heterogeneous materials
-
Kouznetsova V., Brekelmans W. A. M., and Baaijens F. P. T. (2001). "An approach to micro-macro modeling of heterogeneous materials", Comput Mech, 27, p. 37-48.
-
(2001)
Comput Mech
, vol.27
, pp. 37-48
-
-
Kouznetsova, V.1
Brekelmans, W.A.M.2
Baaijens, F.P.T.3
-
30
-
-
34249714264
-
A bridging domain and strain computation method for coupled atomistic/continuum modelling of solids
-
Zhang S., Khare R., Lu Q., and Belytschko T. (2007). "A bridging domain and strain computation method for coupled atomistic/continuum modelling of solids", Int. J. Numer. Mech. Engng, 70, p. 913-933.
-
(2007)
Int. J. Numer. Mech. Engng
, vol.70
, pp. 913-933
-
-
Zhang, S.1
Khare, R.2
Lu, Q.3
Belytschko, T.4
-
32
-
-
31144441067
-
ONIOM: a multilayered integrated MO+MM method for geometry optimizations and single point energy predictions. A test for Diels-Alder reactions and Pt(P(t-Bu)3)2+H2 oxidative addition
-
Svensson M., Humbel S., Froese R. D. J., Matsubara T. Sieber S., and Morokuma K. (1996). "ONIOM: a multilayered integrated MO+MM method for geometry optimizations and single point energy predictions. A test for Diels-Alder reactions and Pt(P(t-Bu)3)2+H2 oxidative addition", J. Phys. Chem., 100, p. 19357-19363.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 19357-19363
-
-
Svensson, M.1
Humbel, S.2
Froese, R.D.J.3
Matsubara, T.4
Sieber, S.5
Morokuma, K.6
-
33
-
-
57949108255
-
Conservation properties of the bridging domain method for coupled molecular/continuum dynamics
-
Xu M. and Belytschko T. (2008). "Conservation properties of the bridging domain method for coupled molecular/continuum dynamics", Int. J. Numer. Meth. Engng, 76, p. 278-294.
-
(2008)
Int. J. Numer. Meth. Engng
, vol.76
, pp. 278-294
-
-
Xu, M.1
Belytschko, T.2
-
35
-
-
0032534091
-
On the completeness of meshfree particle methods
-
Belytschko T., Krongauz Y., Dolbow J., and Gerlach C. (1998). "On the completeness of meshfree particle methods", Int. J. Numer. Mech. Engng, 43, p. 785-819.
-
(1998)
Int. J. Numer. Mech. Engng
, vol.43
, pp. 785-819
-
-
Belytschko, T.1
Krongauz, Y.2
Dolbow, J.3
Gerlach, C.4
-
36
-
-
14844316289
-
A Green's function approach to deriving non-reflecting boundary conditions in molecular dynamics simulation
-
Karpov E. G., Wagner G. J., and Liu W. K. (2005). "A Green's function approach to deriving non-reflecting boundary conditions in molecular dynamics simulation", Int. J. Numer. Mech. Engng, 62, p. 1250-1262.
-
(2005)
Int. J. Numer. Mech. Engng
, vol.62
, pp. 1250-1262
-
-
Karpov, E.G.1
Wagner, G.J.2
Liu, W.K.3
-
37
-
-
17444424014
-
The bridging scale for two-dimensional atomistic/continuum coupling
-
Park H. S., Karpov E. G., Klein P. A., and Liu W. K. (2005). "The bridging scale for two-dimensional atomistic/continuum coupling", Philosophical Magazine, 85, p. 79-113.
-
(2005)
Philosophical Magazine
, vol.85
, pp. 79-113
-
-
Park, H.S.1
Karpov, E.G.2
Klein, P.A.3
Liu, W.K.4
-
38
-
-
36749111305
-
Generalized langevin equation approach for atom/solid-surface scattering-collinear atom/harmonic chain model
-
Adelman S. A. and Doll J. D. (1974). "Generalized langevin equation approach for atom/solid-surface scattering-collinear atom/harmonic chain model", J. Chem. Phys., 61, p. 4242-4245.
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 4242-4245
-
-
Adelman, S.A.1
Doll, J.D.2
-
39
-
-
33746216400
-
Perfectly matched multiscale simulations for discrete lattice systems: Extension to multiple dimensions
-
Li S., Liu X., Agrawal A., and To A. (2006). "Perfectly matched multiscale simulations for discrete lattice systems: Extension to multiple dimensions", Phys. Rev. B, 74, p. 045418.
-
(2006)
Phys. Rev. B
, vol.74
, pp. 045418
-
-
Li, S.1
Liu, X.2
Agrawal, A.3
To, A.4
-
40
-
-
33846920064
-
Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets
-
Khare R., Mielke S. L., Paci J.T., Zhang S., Ballarini R., Schatz G. C., and Belytschko T. (2007). "Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets", Phys. Rev. B, 75, p. 75412.
-
(2007)
Phys. Rev. B
, vol.75
, pp. 75412
-
-
Khare, R.1
Mielke, S.L.2
Paci, J.T.3
Zhang, S.4
Ballarini, R.5
Schatz, G.C.6
Belytschko, T.7
-
41
-
-
84988129057
-
Optimization of parameters for semiempirical methods
-
Stewart J. J. P. (1989). "Optimization of parameters for semiempirical methods", J. Comput. Chem., 10, p. 209-220.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 209-220
-
-
Stewart, J.J.P.1
-
42
-
-
0037794569
-
Atomistic simulations of nanotube fracture
-
Belytschko T., Xiao, S. P., Schatz G. C., and Ruoff R. S. (2002). "Atomistic simulations of nanotube fracture", Phys. Rev. B, 65, p. 235430.
-
(2002)
Phys. Rev. B
, vol.65
, pp. 235430
-
-
Belytschko, T.1
Xiao, S.P.2
Schatz, G.C.3
Ruoff, R.S.4
-
43
-
-
20144375743
-
Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations
-
Zhang S., Mielke S. L., Khare R., Troya D., Ruoff R. S., Schatz G. C., and Belytschko T. (2005). "Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations", Phys. Rev. B, 71, p. 115403.
-
(2005)
Phys. Rev. B
, vol.71
, pp. 115403
-
-
Zhang, S.1
Mielke, S.L.2
Khare, R.3
Troya, D.4
Ruoff, R.S.5
Schatz, G.C.6
Belytschko, T.7
-
44
-
-
0037017208
-
A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
-
Brenner D. W., Shenderova O. A., Harrison J. A., Stuart S. J., Ni, B., and Sinnott B. (2002). "A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons", J. Phys.: Condens. Matter, 14, p. 783-802.
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 783-802
-
-
Brenner, D.W.1
Shenderova, O.A.2
Harrison, J.A.3
Stuart, S.J.4
Ni, B.5
Sinnott, B.6
-
45
-
-
0000391925
-
Atomistic modeling of the fracture of polycrystalline diamond
-
Shenderova O. A., Brenner D. W., Omeltchenko A., Su X., and Yang L. H. (2000). "Atomistic modeling of the fracture of polycrystalline diamond", Phys. Rev. B, 61, p. 3877-3888.
-
(2000)
Phys. Rev. B
, vol.61
, pp. 3877-3888
-
-
Shenderova, O.A.1
Brenner, D.W.2
Omeltchenko, A.3
Su, X.4
Yang, L.H.5
-
46
-
-
2442428458
-
The role of vacancy defects and holes in the fracture of carbon nanotubes
-
Mielke S. L., Troya D., Zhang S., Li J. L., Xiao S. P., Car R., Ruoff R. S., Schatz G. C., and Belytschko T. (2004). "The role of vacancy defects and holes in the fracture of carbon nanotubes", Chemi. Physi. Lett., 390, p. 413-420.
-
(2004)
Chemi. Physi. Lett.
, vol.390
, pp. 413-420
-
-
Mielke, S.L.1
Troya, D.2
Zhang, S.3
Li, J.L.4
Xiao, S.P.5
Car, R.6
Ruoff, R.S.7
Schatz, G.C.8
Belytschko, T.9
-
47
-
-
84988747587
-
Formation of ion-irradiation-induced atomic-scale defects o walls of carbon nanotubes
-
Krasheninnikov A. V., Nordlund K., Sirvio M., Salonen E., and Keinonen J. (2001). "Formation of ion-irradiation-induced atomic-scale defects o walls of carbon nanotubes", Phys. Rev. B, 63, p. 245405.
-
(2001)
Phys. Rev. B
, vol.63
, pp. 245405
-
-
Krasheninnikov, A.V.1
Nordlund, K.2
Sirvio, M.3
Salonen, E.4
Keinonen, J.5
-
48
-
-
0028259955
-
Element-free Galerkin methods
-
Belytschko T., Lu Y. Y., and Gu L. (1994). "Element-free Galerkin methods", Int. J. Numer. Mech. Engng., 37, p. 229-256.
-
(1994)
Int. J. Numer. Mech. Engng.
, vol.37
, pp. 229-256
-
-
Belytschko, T.1
Lu, Y.Y.2
Gu, L.3
-
49
-
-
0030379279
-
Meshless methods: An overview and recent developments
-
Belytschko T., Krongauz Y., Organ D., Fleming M., and Krysl P. (1996). "Meshless methods: An overview and recent developments", Comput. Methods Appl. Mech. Engng., 139, p. 3-47.
-
(1996)
Comput. Methods Appl. Mech. Engng.
, vol.139
, pp. 3-47
-
-
Belytschko, T.1
Krongauz, Y.2
Organ, D.3
Fleming, M.4
Krysl, P.5
|