Interfaces are ubiquitous objects, whose thermodynamic behavior we only recently started to understand at the microscopic detail. Here, we borrow concepts from the techniques of surface identification and intrinsic analysis, to provide a complementary point of view on the density, stress, energy, and free energy distribution across liquid (“soft”) interfaces by analyzing the respective contributions coming from successive layers.

1.
J.
Penfold
,
Curr. Opin. Colloid Interface Sci.
7
,
139
(
2002
).
2.
M.
Tolan
,
X-Ray Scattering from Soft-matter Thin Films
(
Springer
,
Berlin
,
1999
).
3.
F.
Jähnig
,
Proc. Natl. Acad. Sci. U. S. A.
76
,
6361
(
1979
).
4.
A. J.
Cross
and
G. R.
Fleming
,
Biophys. J.
46
,
45
(
1984
).
6.
G. L.
Richmond
,
Chem. Rev.
102
,
2693
(
2002
).
7.
M. P.
Allen
and
D. J.
Tildesley
,
Computer Simulation of Liquids
(
Oxford University Press
,
Oxford
,
1989
).
8.
E.
Chacón
and
P.
Tarazona
,
Phys. Rev. Lett.
91
,
166103
(
2003
).
9.
P.
Linse
,
J. Chem. Phys.
86
,
4177
(
1987
).
10.
I.
Benjamin
,
J. Chem. Phys.
97
,
1432
(
1992
).
11.
M.
Jorge
and
M. N. D. S.
Cordeiro
,
J. Phys. Chem. C
111
,
17612
(
2007
).
12.
J.
Chowdhary
and
B. M.
Ladanyi
,
J. Phys. Chem. B
110
,
15442
(
2006
).
13.
M.
Jorge
,
P.
Jedlovszky
, and
M. N. D. S.
Cordeiro
,
J. Phys. Chem. C
114
,
11169
(
2010
).
14.
L. B.
Pártay
,
G.
Hantal
,
P.
Jedlovszky
,
Á.
Vincze
, and
G.
Horvai
,
J. Comput. Chem.
29
,
945
(
2008
).
15.
M.
Mezei
,
J. Mol. Graphics Modell.
21
,
463
(
2003
).
16.
A. P.
Willard
and
D.
Chandler
,
J. Phys. Chem. B
114
,
1954
(
2010
).
17.
M.
Sega
,
S. S.
Kantorovich
,
P.
Jedlovszky
, and
M.
Jorge
,
J. Chem. Phys.
138
,
044110
(
2013
).
18.
M.
Jorge
,
G.
Hantal
,
P.
Jedlovszky
, and
M. N. D. S.
Cordeiro
,
J. Phys. Chem. C
114
,
18656
(
2010
).
19.
M.
Darvas
,
M.
Jorge
,
M. N. D. S.
Cordeiro
,
S. S.
Kantorovich
,
M.
Sega
, and
P.
Jedlovszky
,
J. Phys. Chem. B
117
,
16148
(
2013
).
20.
Z. P. M.
Lísal
and
P.
Izák
,
Phys. Chem. Chem. Phys.
14
,
5164
(
2012
).
21.
G.
Hantal
,
M. N. D. S.
Cordeiro
, and
M.
Jorge
,
Phys. Chem. Chem. Phys.
10
,
21230
(
2011
).
22.
M.
Lísal
and
P.
Izák
,
J. Chem. Phys.
139
,
014704
(
2013
).
23.
M. N. D. S. C. G.
Hantal
,
I.
Voroshylova
, and
M.
Jorge
,
Phys. Chem. Chem. Phys.
14
,
5200
(
2012
).
24.
M.
Sega
,
G.
Horvai
, and
P.
Jedlovszky
,
Langmuir
30
,
2969
(
2014
).
25.
M.
Sega
,
G.
Horvai
, and
P.
Jedlovszky
,
J. Chem. Phys.
141
,
054707
(
2014
).
26.
N.
Abrankó-Rideg
,
M.
Darvasa
,
G.
Horvai
, and
P.
Jedlovszky
,
J. Phys. Chem. B
117
,
8733
(
2013
).
27.
F.
Bresme
,
E.
Chacón
,
P.
Tarazona
, and
K.
Tay
,
Phys. Rev. Lett.
101
,
056102
(
2008
).
28.
F.
Bresme
,
E.
Chacón
,
P.
Tarazona
, and
A.
Wynveen
,
J. Chem. Phys.
137
,
114706
(
2012
).
29.
B.
Fábián
,
M.
Szőri
, and
P.
Jedlovszky
,
J. Phys. Chem. C
118
,
21469
(
2014
).
30.
F.
Bresme
,
E.
Chacón
,
H.
Martínez
, and
P.
Tarazona
,
J. Chem. Phys.
134
,
214701
(
2011
).
31.
32.
J.-P.
Hansen
and
L.
Verlet
,
Phys. Rev.
184
,
151
(
1969
).
33.
A.
Ladd
and
L.
Woodcock
,
Mol. Phys.
36
,
611
(
1978
).
34.
J. K.
Johnson
,
J. A.
Zollweg
, and
K. E.
Gubbins
,
Mol. Phys.
78
,
591
(
1993
).
35.
A.
Ahmed
and
R. J.
Sadus
,
J. Chem. Phys.
131
,
174504
(
2009
).
36.
W.
Lechner
and
C.
Dellago
,
J. Chem. Phys.
129
,
114707
(
2008
).
38.
39.
H. J.
Berendsen
,
D.
van der Spoel
, and
R.
van Drunen
,
Comput. Phys. Commut.
91
,
43
(
1995
).
40.
S.
Páll
,
M.
Abraham
,
C.
Kutzner
,
B.
Hess
, and
E.
Lindahl
, “
Tackling exascale software challenges in molecular dynamics simulations with GROMACS
,” in
Solving Software Challenges for Exascale
,
Lecture Notes in Computer Science
Vol.
8759
, edited by
S.
Markidis
and
E.
Laure
(
Springer International Publishing
,
2015
).
41.
L. B.
Partay
,
G.
Horvai
, and
P.
Jedlovszky
,
J. Phys. Chem. C
114
,
21681
(
2010
).
42.
J. S.
Rowlinson
and
B.
Widom
,
Molecular Theory of Capillarity
(
Dover Publications, Inc.
,
Mineola, New York
,
1982
).
43.
A.
Dupré
and
P.
Dupré
,
Théorie Mécanique de la Chaleur
(
Gauthier-Villars
,
Paris
,
1869
).
44.
P.
Schofield
and
J.
Henderson
,
Proc. R. Soc. A
379
,
231
(
1982
).
45.
J.
Gullingsrud
and
K.
Schulten
,
Biophys. J.
86
,
3496
(
2004
).
46.
O. S.
Ollila
,
H. J.
Risselada
,
M.
Louhivuori
,
E.
Lindahl
,
I.
Vattulainen
, and
S. J.
Marrink
,
Phys. Rev. Lett.
102
,
078101
(
2009
).
47.
S.
Ollila
,
M. T.
Hyvönen
, and
I.
Vattulainen
,
J. Phys. Chem. B
111
,
3139
(
2007
).
48.
P. S.
Niemelä
,
S.
Ollila
,
M. T.
Hyvönen
,
M.
Karttunen
, and
I.
Vattulainen
,
PLoS Comput. Biol.
3
,
e34
(
2007
).
49.
J.
Irving
and
J. G.
Kirkwood
,
J. Chem. Phys.
18
,
817
(
1950
).
50.
A.
Harasima
,
Adv. Chem. Phys.
1
,
203
(
1958
).
51.
J.
Sonne
,
F. Y.
Hansen
, and
G. H.
Peters
,
J. Chem. Phys.
122
,
124903
(
2005
).
52.
M.
Sbragaglia
and
D.
Belardinelli
,
Phys. Rev. E
88
,
013306
(
2013
).
53.
K. S.
Cheung
and
S.
Yip
,
J. Appl. Phys.
70
,
5688
(
1991
).
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