Publications listed by year
S. J. Comeau, J. D. McCoy, J. M. Kropka
吸水率对环氧树脂老化量热特征的影响
Polymer Degradation and Stability 216, 110473 (2023)
B.T. McReynolds,K. D. Mojtabai,N. Penners,G. Kim,S. Lindholm,Y. Lee,J. D. McCoy, S. Chowdhury
副反应对呋喃-马来酰亚胺可回收性影响的研究
Resins Based on Thermoreversible Diels–Alder Network
Polymers 15(5), 1106 (2023)
K.D. Mojtabai, S.J. Lindholm, B.T. McReynolds, N.Penners, J.D. McCoy, S. Chowdhury, Y. Lee
Diels-Alder增广环氧树脂与等离子体纳米粒子填料的高效光热研究
Depolymerization
ACS Appl. Polym. Mater. 4, 4, 2703–2711 (2022)
R.V. Morgan, B. McReynolds, K. Husmann, J.D. McCoy, R.N. Maki, R.M. Holguin, J.D. Bernardin, A.A. Siranosian
Markforged Continuous Fiber Composite Material Testing
Technical Report LA-UR-20-25195 (2020)
C.S. Stevenson, J.G. Curro, J.D. McCoy
串珠-弹簧链的Gruneisen参数:MD仿真与理论
J. Chem. Phys. 153, 244903 (2020)
G.K. Arechederra, J.D. McCoy, J.M. Kropka
二乙醇胺固化二缩水甘油醚化学与物理老化的相互作用
of Bisphenol-A (DGEBA) Epoxy
Polymer 185, 121937 (2019).
J.D. McCoy, W.B. Ancipink, S.R. Maestas, L.R. Draelos, D.B. Devries, J.M. Kropka
DGEBA环氧树脂与二乙醇胺固化的反应:等转化动力学及其意义
to network structure
Thermochimica Acta 671, 149 (2019)
G.K. Arechederra, L.R. Draelos, W.B. Ancipink, J.D. McCoy, J. M. Kropka
研究了低导热环氧树脂的绝缘对分辨率的影响
用差示扫描量热法测定聚合过程中的反应热
Thermochimica Acta 656, 144 (2017)
C. S. Stevenson, J. G. Curro, J. D. McCoy
The Glass Transition Temperature of Thin Films:
A Molecular Dynamics Study for Bead-Spring Models
J. Chem. Phys. 146, 203322 (2017)
C. M. Clarkson, J. D. McCoy, J. M. Kropka
胺固化DGEBA环氧树脂的焓恢复及其与剪切响应的关系
Polymer 94, 19 (2016).
J. D. McCoy, W. B. Ancipink, C. M. Clarkson, J. M. Kropka, M. C. Celina, N. H. Giron, L. Hailesilassie,
N. Fredj
双酚A环氧二缩水甘油酯醚与二乙醇胺固化机理研究
Polymer 105, 243 (2016).
S. M. Waters, J. D. McCoy, A. L. Frischknecht, and J. R. Brown
外电中锂离子单体的小分子模拟模拟
field
J. Chem. Phys. 140, 014902 (2014).
J. Budzien, J. V. Heffernan, and J. D. McCoy
链柔度对扩散系数主曲线行为的影响
J. Chem. Phys. 139, 244501 (2013).
J. R. Brown, and J. D. McCoy
珠簧式聚合物玻璃成型机的非线性动态热容
J. Chem. Phys. 137, 244504 (2012).
J. R. Brown, and J. D. McCoy
T势能景观对动态热容的贡献
J. Chem. Phys. 134, 194503 (2011).
J. R. Brown, J. D. McCoy, and B. Borchers
东伊辛模式动态热容的理论与模拟
J. Chem. Phys. 133, 064508 (2010).
T. C. Dotson, J. Budzien, J. D. McCoy and D. B. Adolf
Cole-Davidson dynamics of simple chain models
J. Chem. Phys. 130, 024903 (2009).
J. D. McCoy and J. G. Curro
热响应表面薄膜相变的范德华模型
J. Chem. Phys. 130, 194708 (2009)
S. Mendez, B.P. Andrzejewski, H E. Canavan, D.J. Keller, J. D. McCoy, G. P. Lopez, J. G. Curro, 端接聚n -异丙基的力-距分布的研究
acrylamide) Thin Films
Langmuir 25,10624 (2009).
J. R. Brown, J. D. McCoy, and D. B. Adolf
Driven simulations of the dynamic heat capacity
J. Chem. Phys. 131, 104507 (2009).
T. C. Dotson, J. V. Heffernan, J. Budzien, K. T. Dotson, F. Avila, D. T. Limmer, D. T. McCoy, J. D. McCoy and D. B. Adolf
Rheological complexity in simple chain models
J. Chem. Phys. 128, 184905 (2008).
J. V. Heffernan, J. Budzien, A. T. Wilson, R. J. Baca, V. J. Aston, F. Avila, J. D. McCoy and D. B. Adolf
Molecular Flexibility Effects Upon Liquid Dynamics
J. Chem. Phys. 126, 184904 (2007).
D. B. Adolf, R. S. Chambers, J. Flemming, J. L. Budzien, and J.D. McCoy,
势能钟模型:证明和挑战预测
J. Rheology 51, 517 (2007).
J. V. Heffernan, J. Budzien, F. Avila, T. C. Dotson, V. J. Aston, J. D. McCoy and D. B. Adolf
Rotational Relaxation in Simple Chain Models
J. Chem. Phys. 127, 214902 (2007).
J. D. McCoy and J. G. Curro
弹簧链在良好溶剂中的胶体力
J. Chem. Phys. 122, 164905 (2005).
S. K. Nath, J. G. Curro and J. D. McCoy
狭缝孔隙中聚乙烯液体真实模型的密度泛函理论
Comparison with Monte Carlo Simulations
J. Phys. Chem. B 109, 6620 (2005).
S. Mendez, J. G. Curro, J. D. McCoy and G. P. Lopez
温度引起的结构变化的计算模型
具有自洽场理论的系留聚(n -异丙基丙烯酰胺)
Macromolecules 38, 174 (2005).
S.K. Nath, A.L. Frischknecht, J.G. Curro and J.D. McCoy
密度泛函理论与分子动力学模拟
of poly(dimethylsiloxane) melts near silica surfaces
Macromolecules 38, 8562 (2005).
J. Budzien, J.D. McCoy, and D.B. Adolf
链流体的迁移率与各种计算标量之间的一般关系
metrics
J. Chem. Phys. 121, 10291 (2004).
J. Budzien, J. D. McCoy, D. Rottach, J. G. Curro
链刚度和渗透剂尺寸对简单聚合物中渗透剂扩散的影响
deduced relations from simulation and PRISM theory
Polymer 45, 3923 (2004).
F. F. Stewart, C. J. Orme, M. K. Harrup, R. P. Lash, D. H. Weinkauf, J. D. McCoy
功能化聚磷腈材料的膜分离
In Advanced Materials for Membrane Separations,
ACS Symposium Series, Vol. 876, Chap 12, 177 (2004)
M. Tsige, J. G. Curro, G. S. Grest, and J.D. McCoy
烷烃链的分子动力学模拟与积分方程理论
Comparison of Explicit and United Atom Models.
Macromolecules 36, 2158 (2003).
Y. Ye, J.D. McCoy, and J. G. Curro
密度泛函理论在栓系聚合物链中的应用
Effects of Inter-Molecular Attractions.
J. Chem. Phys. 119, 555 (2003).
J. Budzien, J.D. McCoy, and D.B. Adolf
Solute Mobility and Packing Fraction:
聚合物玻璃化转变Doolittle方程的新认识.
J. Chem. Phys. 119, 9269 (2003).
J. G. Curro, J. D. McCoy, and Y. Ye*
Self-Assembly of Polymers in Confined Geometries.
Sandia Report SAND2003-3869 (2003).
J. D. McCoy and J.G. Curro.
关于聚合物在受限几何中的玻璃化转变的猜想.
J. Chem. Phys. 116, 9154 (2002).
J.D. McCoy, Y. Ye, and J.G. Curro,
密度泛函理论在栓系聚合物链中的应用:非热系统
J. Chem. Phys. 117, 2975 (2002).
A.L. Frischknecht, J.D. Weinhold, A.G. Salinger, J.G. Curro, L.J.D. Frink
and J.D. McCoy
非均相聚合物体系的密度泛函理论
I. Numerical methods
J. Chem. Phys. 117, 10385 (2002).
J. D. McCoy, M. A. Teixeira, and J. G. Curro
Polymeric contributions to entropic surface forces.
J. Chem. Phys. 114, 4289 (2001).
J. G. Curro, D. Rottach and J. D. McCoy
Dynamical Properties of Polymers: Computational Modeling.
Sandia Report SAND2001-0171 (2001).
J. G. Curro, J. D. McCoy, A. L. Frischknecht, and K. Yu
Molecular Self-Assembly.
Sandia Report SAND2001-3417 (2001).
J.B. Hooper, J. D. McCoy, and J. G. Curro
简单聚合物在裂隙孔隙中的密度泛函理论
1. Theory and efficient algorithm.
J. Chem. Phys. 112, 3090 (2000).
J.B. Hooper, M. T. Pileggi, J. D. McCoy, J. G. Curro and J. D. Weinhold
简单聚合物在裂隙孔隙中的密度泛函理论
2. The role of compressibility and field type.
J. Chem. Phys. 112, 3094 (2000).
J.B. Hooper, J. D. McCoy, J. G. Curro and F. van Swol
简单聚合物在裂隙孔隙中的密度泛函理论
3. Surface Tension.
J. Chem. Phys. 113, 2021 (2000).
T.S. Weeks, D. Adolf, and J.D. McCoy
Cohesive failure in partially cured epoxies.
Macromolecules 32, 1918-1922 (1999).
J. G. Curro, E. B. Webb III, G.S. Grest, J. D. Weinhold, M. Puetz, and J.D. McCoy
积分方程理论与分子动力学模拟的比较 for realistic models of polyethylene liquids.
J. Chem. Phys. 111, 9073-9081 (1999).
D. R. Rottach, P. A. Tillman, J. D. McCoy, S. J. Plimpton and J. G. Curro
简单渗透剂在切点聚合物熔体中的扩散.
J. Chem. Phys. 111, 9822-9831 (1999).
J.D. McCoy, S.K. Nath, J.G. Curro, and R. S. Saunders
The Interfacial Thickness of Symmetric Diblock Copolymers:
Theory and Experiment.
J. Chem. Phys. 108, 3023- 3027 (1998).
J.G. Curro, J. D. Weinhold, J.D. McCoy, and A. Yethiraj
近表面非晶聚合物的结构:非热系统.
Theor. Comp. Polym. Sci. 8, 159-168 (1998)
J.L. Budzien, J.D. McCoy, D.H. Weinkauf, R.A. Laviolette, and E.S. Peterson
The Solubility of Gases in Amorphous Polyethylene.
Macromolecules 31, 3368-3371 (1998).
P. A. Tillman, D.R. Rottach, J.D. McCoy, S. J. Plimpton, and J.G. Curro
The Structure and Thermodynamics of Energetically and
Structurally Asymmetric Polymer Blends.
J. Chem. Phys. 109, 806-814 (1998).
J.L. Budzien, J.D. McCoy, J. G. Curro, R.A. Laviolette, and E.S. Peterson
The solubility of gases in polyethylene:
Integral equation study of standard molecular models.
Macromolecules 31,6669-6675 (1998).
Correction: Macromolecules 31,8653-8654 (1998).
J.D. McCoy, and J. G. Curro,
The mapping of explicit atom onto united atom potentials.
Macromolecules 31,9362-9368 (1998).
S.K. Nath, J.D. McCoy, J. G. Curro, and R. S. Saunders
The Ordering of Symmetric Diblock Copolymers:
自洽场与密度泛函方法的比较.
J. Chem. Phys. 106, 1950 - 1960 (1997).
J.G. Curro, K.G. Honnell, and J.D. McCoy
气体在聚合物中的溶解度理论:应用于单原子溶质.
Macromolecules 30, 145 - 152 (1997).
P. A. Tillman, D.R. Rottach, J.D. McCoy, S. J. Plimpton, and J.G. Curro
吸引对模型聚合物共混物结构和热力学的影响.
J. Chem. Phys. 107, 4024 -4032 (1997).
J.D. McCoy and S.K. Nath
非均相旋转异构聚乙烯和烷烃体系
in Chemical Applications of Density-Functional Theory,
pp. 246 - 260,
edited by, B.B. Laird, R. B. Ross and T. Ziegler,
(American Chemical Society, Washington, 1996),
S. Rick, J.D. McCoy, and A.D.J. Haymet,
量子冻结的密度泛函理论与氦同位素.
in Chemical Applications of Density-Functional Theory,
pp. 286 - 296,
edited by, B.B. Laird, R. B. Ross and T. Ziegler,
(American Chemical Society, Washington, 1996).
S. Sen, J.D. McCoy, S.K. Nath, J.P. Donley, and J. G. Curro
硬壁附近旋转异构烷烃熔体的结构
密度泛函理论与相关理论的比较.
J. Chem. Phys. 102, 3431 - 3439 (1995).
S.K. Nath, J.D. McCoy, and J. G. Curro,
基于可压缩性的线性聚乙烯硬位模型
and the Normal Alkanes.
Macromolecules 28, 3275 - 3281 (1995).
J.D. McCoy, S. Mateas, M. Zorlu, and J. G. Curro,
排除体积在聚乙烯分子间电位中的作用.
J. Chem. Phys. 102, 8635 - 8641 (1995).
C.S. Stevenson, J.D. McCoy, S.J. Plimpton, and J. G. Curro,
Molecular Dynamics Simulations of Athermal Polymer Blends:
Finite System Size Considerations.
J. Chem. Phys. 103, 1200 - 1207 (1995).
C.S. Stevenson, J. G. Curro, J.D. McCoy, and S.J. Plimpton,
Molecular Dynamics Simulations of Athermal Polymer Blends:
Comparison with Integral Equation Theory.
J. Chem. Phys. 103, 1208 - 1215 (1995).
S.K. Nath, J.D. McCoy, J.P. Donley, and J. G. Curro,
A Modified Self-Consistent-Field theory:
Application to a Homopolymer Melt near a Hard Wall.
J. Chem. Phys. 103, 1635 - 1640 (1995).
J.P. Donley, J.J. Rajasekaran, J.D. McCoy, and J. G. Curro,
Microscopic Approach to Inhomogeneous Polymeric Liquids.
J. Chem. Phys. 103, 5061 - 5069 (1995).
S.K. Nath, J.D. McCoy, J. G. Curro, and R. S. Saunders
聚合物-聚合物相分离行为的密度泛函理论.
J. Polym. Sci. Part B 33, 2307-2317 (1995).
T. Weeks, M. Zorlu, J.D. McCoy, J. Deporter, and J.G. Curro,
差示扫描量热法分析聚烯烃共混物
高密度聚乙烯-聚丙烯共混物中聚丙烯的可检测性.
ANTEC 2281 - 2662 (1994).
J.P. Donley, J.G. Curro, and J.D. McCoy,
分子液体中对相关函数的密度泛函理论.
J. Chem. Phys. 101, 3205 - 3215 (1994).
S. Sen, J. M. Cohen, J.D. McCoy, and J. G. Curro
硬壁附近旋转异构烷烃熔体的结构.
J. Chem. Phys. 101, 9010 - 9015 (1994).
A. Yethiraj, J.G. Curro, K.S. Schweizer, and J.D. McCoy,
Microscopic Equations-of-State of Polyethylene:
Hard-Chain Contribution to the Pressure.
J. Chem. Phys. 98, 1635 - 1646 (1993).
J.G. Curro, A. Yethiraj, K.S. Schweizer, J.D. McCoy, and K.G. Honnell,
Microscopic Equations-of-State of Hydrocarbon Fluids:
引力效应及其与聚乙烯实验的比较.
Macromolecules 26, 2655 - 2662 (1993).
A.H. Narten, A. Habenschuss, K.G. Honnell, J.D. McCoy, J.G. Curro, and K.S. Schweizer,
Diffraction by Macromolecular Fluids.
Faraday Trans. Chem. Soc. 88, 1791 (1992).
J.D. McCoy, K.G. Honnell, K.S. Schweizer, J. G. Curro, and J. Dana Honeycutt,
Single-Chain Structure in Model Polyethylene Melts.
Macromolecules 25, 4905 (1992).
J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J.G. Curro,
聚合物结晶:密度泛函理论及其在聚乙烯中的应用.
Chem. Phys. Lett. 179, 374 (1991).
K.G. Honnell, J.D. McCoy, J.G. Curro, K.S. Schweizer, A.H. Narten, and A. Habenschuss,
Local Structure of Polyethylene Melts.
J. Chem. Phys. 94, 4659-4662 (1991).
J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J. G. Curro,
聚乙烯和聚四氟乙烯的结晶
by Density Functional Mehtods.
J. Chem. Phys. 95, 9348-9366 (1991).
J.D. McCoy, S. Rick, and A.D.J. Haymet,
Density Functional Theory of Freezing for Quantum Systems:
1. Path Integral Formulation of General Theory.
J. Chem. Phys. 92, 3034-3039 (1990).
S. Rick, J.D. McCoy, and A.D.J. Haymet,
量子系统冻结的密度泛函理论:2. Application to Helium.
J. Chem. Phys. 92, 3040-3047 (1990).
J.D. McCoy, R. McRae, and A.D.J. Haymet,
熔点平衡空位浓度:密度泛函理论.
Chem. Phys. Lett. 169, 549-554 (1990).
R. McRae, J.D. McCoy,and A.D.J. Haymet,
Density Functional Theory of Vacancies.
J. Chem. Phys. 93, 4281-4289 (1990).
J.D. McCoy and A.D.J. Haymet,
冻结理论:非齐次Ornstein-Zernike方程.
Int. J. Therm. 10, 87-100 (1989).
J.D. McCoy, S. Rick, and A.D.J. Haymet,
Freezing of Quantum Liquids.
J. Chem. Phys. 90, 4622-4623 (1989).
B.B. Laird, J.D. McCoy, and A.D.J. Haymet,
六边形对称的密度泛函冻结理论
Comparison with Landau Theory.
J. Chem. Phys. 88, 3900-3909 (1988).
B.B. Laird, J.D. McCoy, and A.D.J. Haymet,
冻结的密度泛函理论:晶体密度分析.
J. Chem. Phys. 87, 5449-5456 (1987).
J.D. McCoy, S.J. Singer, and D. Chandler,
硬哑铃冻结转变的密度函数处理.
J. Chem. Phys. 87, 4853-4858 (1987).
D. Chandler, J.D. McCoy, and S.J. Singer,
"非均匀多原子体系的密度泛函理论.
II. Rational Closures for Integral Equations."
J. Chem. Phys. 85, 5977-5975 (1986).
D. Chandler, J.D. McCoy, and S.J. Singer,
非均匀多原子体系的密度泛函理论.I. General Formulation.
J. Chem. Phys. 85, 5971-5982 (1986).
Trans Effect in Octahedral Complexes. 4. Kinetic Trans Effect Induced by the S-Bonded Thiosulfatato Ligand in Bis(ethylenediamine)cobalt(III) Complexes." Inorganic Chemistry 19, 2265-2271 (1980).