ISO/TS 22295:2021
(Main)Space environment (natural and artificial) — Modelling of space environment impact on nanostructured materials — General principles
Space environment (natural and artificial) — Modelling of space environment impact on nanostructured materials — General principles
The document considers peculiarities of the space environment impact on a special kind of materials: nanostructured materials (i.e. materials with structured objects which size in at least one dimension lies within 1 nm to 100 nm) and specifies the methods of mathematical simulation of such processes. It emphasizes the necessity of applying multiscale simulation approach and does not include any special details concerning concrete materials, elements of spacecraft construction and equipment, etc. This document provides the general description of the methodology of applying computer simulation methods which relate to different space and time scales to modelling processes occurring in nanostructured materials under the space environment impact. The document can be applied as a reference document in spacecraft designing, forecasting the spacecraft lifetime, conducting ground-based tests, and analysing changes of material properties during operation.
Environnement spatial (naturel et artificiel) — Modélisation de l'impact de l'environnement spatial sur les matériaux nanostructurés — Principes généraux
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TECHNICAL ISO/TS
SPECIFICATION 22295
First edition
2021-05
Space environment (natural
and artificial) — Modelling of
space environment impact on
nanostructured materials — General
principles
Environnement spatial (naturel et artificiel) — Modélisation de
l'impact de l'environnement spatial sur les matériaux nanostructurés
— Principes généraux
Reference number
ISO/TS 22295:2021(E)
©
ISO 2021
---------------------- Page: 1 ----------------------
ISO/TS 22295:2021(E)
COPYRIGHT PROTECTED DOCUMENT
© ISO 2021
All rights reserved. Unless otherwise specified, or required in the context of its implementation, no part of this publication may
be reproduced or utilized otherwise in any form or by any means, electronic or mechanical, including photocopying, or posting
on the internet or an intranet, without prior written permission. Permission can be requested from either ISO at the address
below or ISO’s member body in the country of the requester.
ISO copyright office
CP 401 • Ch. de Blandonnet 8
CH-1214 Vernier, Geneva
Phone: +41 22 749 01 11
Email: copyright@iso.org
Website: www.iso.org
Published in Switzerland
ii © ISO 2021 – All rights reserved
---------------------- Page: 2 ----------------------
ISO/TS 22295:2021(E)
Contents Page
Foreword .v
Introduction .vi
1 Scope . 1
2 Normative references . 1
3 Terms and definitions and abbreviated terms . 1
3.1 Terms and definitions . 1
3.2 Abbreviated terms . 2
4 Nanostructured materials . 2
5 Main space environment components and processes . 3
5.1 General . 3
5.2 Space radiation . 3
5.2.1 General. 3
5.2.2 Special features of nanostructured materials response . 3
5.3 Atomic oxygen of the Earth’s upper atmosphere . 4
5.3.1 General. 4
5.3.2 Special features of nanostructured materials . 5
5.4 Hot magnetosphere plasma . 5
5.4.1 General. 5
5.4.2 Special features of nanostructured materials response . 5
5.5 Heating, cooling and thermal cycling . 6
5.5.1 General. 6
5.5.2 Special features of nanostructured materials . 6
5.6 Meteoroids and space debris . 6
5.6.1 General. 6
5.6.2 Special features of nanostructured materials . 6
5.7 Solar UV and VUV radiation . 6
5.7.1 General. 6
5.7.2 Special features of nanostructured materials . 7
6 Multiscale approach to simulation of space components impact on nanostructured
materials . 7
6.1 Multiscale simulation methods . 7
6.1.1 General. 7
6.1.2 Quantum (electronic) scale . 8
6.1.3 Atomistic scale (molecular dynamics and Monte Carlo) .12
6.1.4 Mesoscale .13
6.1.5 Macroscale (continuum methods) .14
6.2 Radiation damage modelling .15
6.2.1 General.15
6.2.2 Quantum scale . .15
6.2.3 Atomistic scale .16
6.2.4 Mesoscale .16
6.2.5 Macroscale .17
6.3 Modelling of atomic oxygen impact .17
6.3.1 General.17
6.3.2 Quantum scale . .18
6.3.3 Atomistic scale .19
6.3.4 Mesoscale .19
6.3.5 Macroscale .19
6.4 Modelling of charging effects .20
6.4.1 General.20
6.4.2 Quantum scale . .20
6.4.3 Atomistic scale .20
© ISO 2021 – All rights reserved iii
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ISO/TS 22295:2021(E)
6.4.4 Mesoscale .21
6.4.5 Macroscale .21
6.5 Modelling of heating/cooling and thermal cycling effects .21
6.5.1 General.21
6.5.2 Atomistic scale .21
6.5.3 Mesoscale .22
6.5.4 Macroscale .22
6.6 Modelling of meteoroids and space debris impact .22
6.6.1 General.22
6.6.2 Atomistic scale .22
6.6.3 Mesoscale .23
6.6.4 Macroscale .23
6.7 Modelling of solar UV and VUV radiation effects.23
6.7.1 General.23
6.7.2 Quantum scale . .23
7 Outlook .23
Annex A (informative) Multiscale simulation methods: software for simulation in different
space and time scales .24
Bibliography .27
iv © ISO 2021 – All rights reserved
---------------------- Page: 4 ----------------------
ISO/TS 22295:2021(E)
Foreword
ISO (the International Organization for Standardization) is a worldwide federation of national standards
bodies (ISO member bodies). The work of preparing International Standards is normally carried out
through ISO technical committees. Each member body interested in a subject for which a technical
committee has been established has the right to be represented on that committee. International
organizations, governmental and non-governmental, in liaison with ISO, also take part in the work.
ISO collaborates closely with the International Electrotechnical Commission (IEC) on all matters of
electrotechnical standardization.
The procedures used to develop this document and those intended for its further maintenance are
described in the ISO/IEC Directives, Part 1. In particular, the different approval criteria needed for the
different types of ISO documents should be noted. This document was drafted in accordance with the
editorial rules of the ISO/IEC Directives, Part 2 (see www .iso .org/ directives).
Attention is drawn to the possibility that some of the elements of this document may be the subject of
patent rights. ISO shall not be held responsible for identifying any or all such patent rights. Details of
any patent rights identified during the development of the document will be in the Introduction and/or
on the ISO list of patent declarations received (see www .iso .org/ patents).
Any trade name used in this document is information given for the convenience of users and does not
constitute an endorsement.
For an explanation of the voluntary nature of standards, the meaning of ISO specific terms and
expressions related to conformity assessment, as well as information about ISO's adherence to the
World Trade Organization (WTO) principles in the Technical Barriers to Trade (TBT), see www .iso .org/
iso/ foreword .html.
This document was prepared by Technical Committee ISO/TC 20, Aircraft and space vehicles,
Subcommittee SC 14, Space systems and operations.
Any feedback or questions on this document should be directed to the user’s national standards body. A
complete listing of these bodies can be found at www .iso .org/ members .html.
© ISO 2021 – All rights reserved v
---------------------- Page: 5 ----------------------
ISO/TS 22295:2021(E)
Introduction
In the near future nanomaterials and nanoelements will be widely applied in spacecraft and space
engineering. Nanomaterials superiority in mechanical, thermal, electrical and optical properties
over conventional materials will evidently inspire a wide range of applications in the next generation
spacecraft intended for the long-term (~15 to 20 years) operation in near-Earth orbits and the automatic
and manned interplanetary missions as well as in the construction of inhabited bases on the Moon.
The near-Earth’s space is described as an extreme environment for materials due to high vacuum,
space radiation, hot and cold plasma, micrometeoroids and space debris, temperature differences, etc.
Existing experimental and theoretical data demonstrate that nanomaterials response to various space
environment effects can differ substantially from the one of conventional bulk spacecraft materials.
Therefore, it is necessary to determine the space environment components, critical for nanomaterials,
and to develop novel methods of the mathematical and experimental simulation of the space
environment impact on nanomaterials.
Modelling is a very important scientific tool for explaining various phenomena and predicting the
behaviour of existing and designing materials under different conditions. In the case of nanotechnologies,
modelling and simulations become even a more significant method of studying nanomaterials and
processes in the nanoscale due to difficulties of observing and measuring many nanoscale phenomena
experimentally. In computational nanotechnology, it is necessary to develop new integrated approaches
for different length and time scales that enable explaining mechanisms of mesoscale phenomena and
predicting emerging material macro-properties.
The changes in the materials properties, caused by the space environment impact, are determined with
structural parameters and processes that are related to different spatial scales: from the size of atoms
and molecules to the size of macroobjects. There are a variety of simulation methods but most of them
can be applied only for a special space and time range/scale because of underlying approximations. To
estimate the durability of nanostructured materials to the space environment impact it is necessary to
investigate both fundamental effects of incident atom/particle interaction with nanosized structures
within very short time intervals and resulting effects of material damage and changes in their
properties, that can be observed at micro- and macroscale within much longer periods. Thus, in general
case to study the whole set of elementary processes and resulting effects it is necessary to apply the
multiscale simulation approach.
The main concept of this document is:
— for main space environment components to choose the most important space and time scales;
— for every scale to choose the most important physical and chemical processes that occur in
nanostructured materials under the influence of the given space environment component and can
be considered as elementary for the chosen scale;
— for every process to determine a method (or a group of methods) that can be used for their simulations
under space environment conditions;
— for every chosen method to describe necessary and possible approximations as well as its limitation
when used for simulation of the given process.
vi © ISO 2021 – All rights reserved
---------------------- Page: 6 ----------------------
TECHNICAL SPECIFICATION ISO/TS 22295:2021(E)
Space environment (natural and artificial) — Modelling of
space environment impact on nanostructured materials —
General principles
1 Scope
The document considers peculiarities of the space environment impact on a special kind of materials:
nanostructured materials (i.e. materials with structured objects which size in at least one dimension
lies within 1 nm to 100 nm) and specifies the methods of mathematical simulation of such processes. It
emphasizes the necessity of applying multiscale simulation approach and does not include any special
details concerning concrete materials, elements of spacecraft construction and equipment, etc.
This document provides the general description of the methodology of applying computer simulation
methods which relate to different space and time scales to modelling processes occurring in
nanostructured materials under the space environment impact.
The document can be applied as a reference document in spacecraft designing, forecasting the
spacecraft lifetime, conducting ground-based tests, and analysing changes of material properties
during operation.
2 Normative references
The following documents are referred to in the text in such a way that some or all of their content
constitutes requirements of this document. For dated references, only the edition cited applies. For
undated references, the latest edition of the referenced document (including any amendments) applies.
ISO 10795, Space systems — Programme management and quality — Vocabulary
ISO 17851, Space systems — Space environment simulation for material tests — General principles and
criteria
ISO/TS 18110, Nanotechnologies — Vocabularies for science, technology and innovation indicators
ISO/TS 80004-1, Nanotechnologies — Vocabulary — Part 1: Core terms
ISO/TS 80004-2, Nanotechnologies — Vocabulary — Part 2: Nano-objects
ISO/TS 80004-6, Nanotechnologies — Vocabulary — Part 6: Nano-object characterization
3 Terms and definitions and abbreviated terms
3.1 Terms and definitions
For the purposes of this document, the terms and definitions given in ISO 10795, ISO/TS 18110,
ISO/TS 80004-1, ISO/TS 80004-2, ISO/TS 80004-6 and ISO 17851 apply.
ISO and IEC maintain terminological databases for use in standardization at the following addresses:
— ISO Online browsing platform: available at https:// www .iso .org/ obp
— IEC Electropedia: available at http:// www .electropedia .org/
© ISO 2021 – All rights reserved 1
---------------------- Page: 7 ----------------------
ISO/TS 22295:2021(E)
3.2 Abbreviated terms
AMD accelerated molecular dynamics
CC coupled cluster
CI configuration interaction
DFT density functional theory
DFTB density functional based tight-binding
ESD electrostatic discharge
HF Hartree–Fock method
kMC kinetic Monte Carlo
MC Monte Carlo
MD molecular dynamics
MP Møller-Plesset perturbation theory
QM/MM quantum mechanics – molecular mechanics
UV ultraviolet radiation
VUV vacuum ultraviolet radiation
4 Nanostructured materials
The peculiar properties of nanomaterials are determined by the presence in their structure of
nanoobjects – particles or grains, fibres, platelets, etc. with at least one linear dimension in nanoscale
[1]–[5]
(size range from approximately 1 nm to 100 nm) . The lower boundary of this range approaches the
size of atoms and molecules; and its upper one separates nanoobjects from microobjects.
The strong influence of the material nanostructure on its properties is caused by the so-called
nanometre length scale effects which can be of classical and quantum nature. The nanoscale effects
appear when the size of structural objects becomes comparable with a certain parameter of material
which has a considerable influence on some physical-chemical processes in the matter and consequently
[1],[2]
on the material properties . A mean free path of charged particles, a diffusion length, etc. may be
regarded as such a parameter in the case of classical length scale effects; and for quantum ones its role
is usually played by the de Broglie wavelength.
Another parameter of nanostructures is called dimensionality; it corresponds to the number of
dimensions that lie within the nanometre range, and is used for analysing the quantum confinement
[1],[2]
effects . According to this parameter, all objects may be divided into four groups:
— 3D-objects – bulk materials;
— 2D-objects – nanofilms, nanoplatlets;
— 1D-objects – nanofibres, nanotubes, nanorods, etc.;
— 0D-objects – nanoparticles, nanopores, nanocrystals, quantum dots, etc.
In a 3D-object, electrons can move freely in all three dimensions. In a film whose width is comparable
with the de Broglie wavelength (2D-object), electrons move without restrictions only in the film plane,
but in the perpendicular direction they are in a deep potential well; that’s why 2D-objects are usually
called quantum well. In 1D-objects, or quantum wires, two dimensions are comparable with the de
2 © ISO 2021 – All rights reserved
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ISO/TS 22295:2021(E)
Broglie wavelength. If the electron movement is limited in three directions, a nanostructure becomes a
0D-object, or a quantum dot with discrete electronic states.
Due to nanosized scale effects, nanostructured materials acquire novel mechanical, thermal,
electrical, magnetic and optic properties, which can surpass the properties of conventional bulk
[1],[2],[6],[7]
materials . Nanocomposites with nanoclays, nanotubes and various nanoparticles as fillers
are one of the most promising materials for space applications. They may be used as light-weighted
and strong structural materials as well as multi-functional and smart materials of general and specific
applications, e.g. thermal stabilization, radiation shielding, electrostatic charge mitigation, protection
[8]
of atomic oxygen influence and space debris impact .
Therefore, the creation of polymer nanocomposites with fillers of various shape and composition may
play the pivotal role in spacecraft development and implementation of challenging space projects.
Among possible fillers, the main attention is paid to carbon nanostructures: fullerenes, carbon
[6],[7]
nanotubes (CNT), graphene that represent particular allotropic forms of carbon . Due to superior
mechanical properties, high electric and thermal conductivity of these nanostructures, one may
develop various light-weighted and strong multifunctional nanocomposites. Of special interest are CNT
structural analogues, boron nitride nanotubes (BNNTs), that are electrical insulators and in addition to
[9],[10]
excellent mechanical properties and high thermal stability possess high resistivity to oxidation .
5 Main space environment components and processes
5.1 General
The space environment has a significant damaging effect on many materials, including nanostructured
materials. During the flight, the spacecraft is influenced by a set of space environment components:
electrons and high-energy ions, cold and hot space plasma, solar electromagnetic radiation, meteoroids
[11]–[18]
and space debris, vacuum and other factors . As a result of this impact, various physical and
chemical processes take place in the materials and elements of the spacecraft equipment, leading to
deterioration of their operational parameters. Depending on the nature of the processes triggered by
the impact of the space environment, the changes in the properties of materials and equipment elements
can have different time scales, be reversible or irreversible, and present a different degree of danger for
on-board systems. To evaluate the potential effects of the space environment on material properties
and the characteristics of spacecraft equipment, it is important to determine the combinations of the
most significant factors in various areas of outer space. In this case it should be regarded as effects
[12]
caused by the impact of individual components of the space environment, and their combined effect .
5.2 Space radiation
5.2.1 General
Ionizing radiations of the Earth's radiation belts are electron and proton flows with energies from
[11]–[15]
several hundred eV to several hundred MeV . As a result of different penetrability and energy,
ionizing particles exert influence on all materials independent of their location, both on the exterior of
spacecraft (coatings, blankets) and inside it. The dominant degradation mechanism depends on type
of material, LET, type of ray, etc. Ionizing radiation breaks chemical bonds but in other cases may lead
to cross-linking in polymers. These processes cause decomposition, embrittlement, colour change
and darkening, change in electrical resistivity, mechanical strength degradation, etc. Wire insulator
indicates decrease in breakdown voltage or cracks.
5.2.2 Special features of nanostructured materials response
Existing experimental and theoretical data demonstrate that nanostructured materials response to
[19]–[24]
space radiation can differ substantially from that of conventional bulk spacecraft materials .
When an electron or ion with high energy interacts with a nanostructure, only a small amount of
energy of the incident particle is imparted to it. Therefore, a nanostructured object is characterized by
a small number of additional charge carriers or structural defects that appear due to the irradiation;
© ISO 2021 – All rights reserved 3
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ISO/TS 22295:2021(E)
and their number is reduced with increasing incident particle energy, which is opposite to the situation
in conventional materia
...
TECHNICAL ISO/TS
SPECIFICATION 22295
First edition
Space environment (natural
and artificial) — Modelling of
space environment impact on
nanostructured materials — General
principles
Environnement spatial (naturel et artificiel) — Modélisation de
l'impact de l'environnement spatial sur les matériaux nanostructurés
— Principes généraux
PROOF/ÉPREUVE
Reference number
ISO/TS 22295:2021(E)
©
ISO 2021
---------------------- Page: 1 ----------------------
ISO/TS 22295:2021(E)
COPYRIGHT PROTECTED DOCUMENT
© ISO 2021
All rights reserved. Unless otherwise specified, or required in the context of its implementation, no part of this publication may
be reproduced or utilized otherwise in any form or by any means, electronic or mechanical, including photocopying, or posting
on the internet or an intranet, without prior written permission. Permission can be requested from either ISO at the address
below or ISO’s member body in the country of the requester.
ISO copyright office
CP 401 • Ch. de Blandonnet 8
CH-1214 Vernier, Geneva
Phone: +41 22 749 01 11
Email: copyright@iso.org
Website: www.iso.org
Published in Switzerland
ii PROOF/ÉPREUVE © ISO 2021 – All rights reserved
---------------------- Page: 2 ----------------------
ISO/TS 22295:2021(E)
Contents Page
Foreword .v
Introduction .vi
1 Scope . 1
2 Normative references . 1
3 Terms and definitions and abbreviated terms . 1
3.1 Terms and definitions . 1
3.2 Abbreviated terms . 2
4 Nanostructured materials . 2
5 Main space environment components and processes . 3
5.1 General . 3
5.2 Space radiation . 3
5.2.1 General. 3
5.2.2 Special features of nanostructured materials response . 3
5.3 Atomic oxygen of the Earth’s upper atmosphere . 4
5.3.1 General. 4
5.3.2 Special features of nanostructured materials . 5
5.4 Hot magnetosphere plasma . 5
5.4.1 General. 5
5.4.2 Special features of nanostructured materials response . 5
5.5 Heating, cooling and thermal cycling . 6
5.5.1 General. 6
5.5.2 Special features of nanostructured materials . 6
5.6 Meteoroids and space debris . 6
5.6.1 General. 6
5.6.2 Special features of nanostructured materials . 6
5.7 Solar UV and VUV radiation . 6
5.7.1 General. 6
5.7.2 Special features of nanostructured materials . 7
6 Multiscale approach to simulation of space components impact on nanostructured
materials . 7
6.1 Multiscale simulation methods . 7
6.1.1 General. 7
6.1.2 Quantum (electronic) scale . 8
6.1.3 Atomistic scale (molecular dynamics and Monte Carlo) .12
6.1.4 Mesoscale .13
6.1.5 Macroscale (continuum methods) .14
6.2 Radiation damage modelling .14
6.2.1 General.14
6.2.2 Quantum scale . .15
6.2.3 Atomistic scale .16
6.2.4 Mesoscale .16
6.2.5 Macroscale .17
6.3 Modelling of atomic oxygen impact .17
6.3.1 General.17
6.3.2 Quantum scale . .18
6.3.3 Atomistic scale .18
6.3.4 Mesoscale .19
6.3.5 Macroscale .19
6.4 Modelling of charging effects .19
6.4.1 General.19
6.4.2 Quantum scale . .20
6.4.3 Atomistic scale .20
© ISO 2021 – All rights reserved PROOF/ÉPREUVE iii
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ISO/TS 22295:2021(E)
6.4.4 Mesoscale .20
6.4.5 Macroscale .20
6.5 Modelling of heating/cooling and thermal cycling effects .21
6.5.1 General.21
6.5.2 Atomistic scale .21
6.5.3 Mesoscale .21
6.5.4 Macroscale .21
6.6 Modelling of meteoroids and space debris impact .22
6.6.1 General.22
6.6.2 Atomistic scale .22
6.6.3 Mesoscale .22
6.6.4 Macroscale .22
6.7 Modelling of solar UV and VUV radiation effects.23
6.7.1 General.23
6.7.2 Quantum scale . .23
7 Outlook .23
Annex A (Informative) Multiscale simulation methods: software for simulation in different
space and time scales .24
Bibliography .27
iv PROOF/ÉPREUVE © ISO 2021 – All rights reserved
---------------------- Page: 4 ----------------------
ISO/TS 22295:2021(E)
Foreword
ISO (the International Organization for Standardization) is a worldwide federation of national standards
bodies (ISO member bodies). The work of preparing International Standards is normally carried out
through ISO technical committees. Each member body interested in a subject for which a technical
committee has been established has the right to be represented on that committee. International
organizations, governmental and non-governmental, in liaison with ISO, also take part in the work.
ISO collaborates closely with the International Electrotechnical Commission (IEC) on all matters of
electrotechnical standardization.
The procedures used to develop this document and those intended for its further maintenance are
described in the ISO/IEC Directives, Part 1. In particular, the different approval criteria needed for the
different types of ISO documents should be noted. This document was drafted in accordance with the
editorial rules of the ISO/IEC Directives, Part 2 (see www .iso .org/ directives).
Attention is drawn to the possibility that some of the elements of this document may be the subject of
patent rights. ISO shall not be held responsible for identifying any or all such patent rights. Details of
any patent rights identified during the development of the document will be in the Introduction and/or
on the ISO list of patent declarations received (see www .iso .org/ patents).
Any trade name used in this document is information given for the convenience of users and does not
constitute an endorsement.
For an explanation of the voluntary nature of standards, the meaning of ISO specific terms and
expressions related to conformity assessment, as well as information about ISO's adherence to the
World Trade Organization (WTO) principles in the Technical Barriers to Trade (TBT), see www .iso .org/
iso/ foreword .html.
This document was prepared by Technical Committee ISO/TC 20, Aircraft and space vehicles,
Subcommittee SC 14, Space systems and operations.
Any feedback or questions on this document should be directed to the user’s national standards body. A
complete listing of these bodies can be found at www .iso .org/ members .html.
© ISO 2021 – All rights reserved PROOF/ÉPREUVE v
---------------------- Page: 5 ----------------------
ISO/TS 22295:2021(E)
Introduction
In the near future nanomaterials and nanoelements will be widely applied in spacecraft and space
engineering. Nanomaterials superiority in mechanical, thermal, electrical and optical properties
over conventional materials will evidently inspire a wide range of applications in the next generation
spacecraft intended for the long-term (~15 to 20 years) operation in near-Earth orbits and the automatic
and manned interplanetary missions as well as in the construction of inhabited bases on the Moon.
The near-Earth’s space is described as an extreme environment for materials due to high vacuum,
space radiation, hot and cold plasma, micrometeoroids and space debris, temperature differences, etc.
Existing experimental and theoretical data demonstrate that nanomaterials response to various space
environment effects can differ substantially from the one of conventional bulk spacecraft materials.
Therefore, it is necessary to determine the space environment components, critical for nanomaterials,
and to develop novel methods of the mathematical and experimental simulation of the space
environment impact on nanomaterials.
Modelling is a very important scientific tool for explaining various phenomena and predicting the
behaviour of existing and designing materials under different conditions. In the case of nanotechnologies,
modelling and simulations become even a more significant method of studying nanomaterials and
processes in the nanoscale due to difficulties of observing and measuring many nanoscale phenomena
experimentally. In computational nanotechnology, it is necessary to develop new integrated approaches
for different length and time scales that enable explaining mechanisms of mesoscale phenomena and
predicting emerging material macro-properties.
The changes in the materials properties, caused by the space environment impact, are determined with
structural parameters and processes that are related to different spatial scales: from the size of atoms
and molecules to the size of macroobjects. There are a variety of simulation methods but most of them
can be applied only for a special space and time range/scale because of underlying approximations. To
estimate the durability of nanostructured materials to the space environment impact it is necessary to
investigate both fundamental effects of incident atom/particle interaction with nanosized structures
within very short time intervals and resulting effects of material damage and changes in their
properties, that can be observed at micro- and macroscale within much longer periods. Thus, in general
case to study the whole set of elementary processes and resulting effects it is necessary to apply the
multiscale simulation approach.
The main concept of this document is:
— for main space environment components to choose the most important space and time scales;
— for every scale to choose the most important physical and chemical processes that occur in
nanostructured materials under the influence of the given space environment component and can
be considered as elementary for the chosen scale;
— for every process to determine a method (or a group of methods) that can be used for their simulations
under space environment conditions;
— for every chosen method to describe necessary and possible approximations as well as its limitation
when used for simulation of the given process
vi PROOF/ÉPREUVE © ISO 2021 – All rights reserved
---------------------- Page: 6 ----------------------
TECHNICAL SPECIFICATION ISO/TS 22295:2021(E)
Space environment (natural and artificial) — Modelling of
space environment impact on nanostructured materials —
General principles
1 Scope
The document considers peculiarities of the space environment impact on a special kind of materials:
nanostructured materials (i.e. materials with structured objects which size in at least one dimension
lies within 1 nm to 100 nm) and specifies the methods of mathematical simulation of such processes. It
emphasizes the necessity of applying multiscale simulation approach and does not include any special
details concerning concrete materials, elements of spacecraft construction and equipment, etc.
This document provides the general description of the methodology of applying computer simulation
methods which relate to different space and time scales to modelling processes occurring in
nanostructured materials under the space environment impact.
The document can be applied as a reference document in spacecraft designing, forecasting the
spacecraft lifetime, conducting ground-based tests, and analysing changes of material properties
during operation.
2 Normative references
The following documents are referred to in the text in such a way that some or all of their content
constitutes requirements of this document. For dated references, only the edition cited applies. For
undated references, the latest edition of the referenced document (including any amendments) applies.
ISO 10795, Space systems — Programme management and quality — Vocabulary
ISO/TS 18110, Nanotechnologies — Vocabularies for science, technology and innovation indicators
ISO/TS 80004-1, Nanotechnologies — Vocabulary — Part 1: Core terms
ISO/TS 80004-2, Nanotechnologies — Vocabulary — Part 2: Nano-objects
ISO/TS 80004-6, Nanotechnologies — Vocabulary — Part 6: Nano-object characterization
ISO 17851, Space systems — Space environment simulation for material tests — General principles and
criteria
3 Terms and definitions and abbreviated terms
3.1 Terms and definitions
For the purposes of this document, the terms and definitions given in ISO 10795, ISO/TS 18110,
ISO/TS 80004-1, ISO/TS 80004-2, ISO/TS 80004-6 and ISO 17851 apply.
ISO and IEC maintain terminological databases for use in standardization at the following addresses:
— ISO Online browsing platform: available at https:// www .iso .org/ obp
— IEC Electropedia: available at http:// www .electropedia .org/
© ISO 2021 – All rights reserved PROOF/ÉPREUVE 1
---------------------- Page: 7 ----------------------
ISO/TS 22295:2021(E)
3.2 Abbreviated terms
AMD accelerated molecular dynamics
CC coupled cluster
CI configuration interaction
DFT density functional theory
DFTB density functional based tight-binding
ESD electrostatic discharge
HF Hartree–Fock method
kMC kinetic Monte Carlo
MC Monte Carlo
MD molecular dynamics
MP Møller-Plesset perturbation theory
QM/MM quantum mechanics – molecular mechanics
UV ultraviolet radiation
VUV vacuum ultraviolet radiation
4 Nanostructured materials
The peculiar properties of nanomaterials are determined by the presence in their structure of
nanoobjects – particles or grains, fibres, platelets, etc. with at least one linear dimension in nanoscale
[1]–[5]
(size range from approximately 1 nm to 100 nm) . The lower boundary of this range approaches
the size of atoms and molecules; and its upper one separates nanoobjects from microobjects.
The strong influence of the material nanostructure on its properties is caused by the so-called
nanometre length scale effects which can be of classical and quantum nature. The nanoscale effects
appear when the size of structural objects becomes comparable with a certain parameter of material
which has a considerable influence on some physical-chemical processes in the matter and consequently
[1],[2]
on the material properties . A mean free path of charged particles, a diffusion length, etc. may be
regarded as such a parameter in the case of classical length scale effects; and for quantum ones its role
is usually played by the de Broglie wavelength.
Another parameter of nanostructures is called dimensionality; it corresponds to the number of
dimensions that lie within the nanometer range, and is used for analysing the quantum confinement
[1 2]
effects ],[ . According to this parameter, all objects may be divided into four groups:
— 3D-objects – bulk materials;
— 2D-objects – nanofilms, nanoplatlets;
— 1D-objects – nanofibres, nanotubes, nanorods, etc.;
— 0D-objects – nanoparticles, nanopores, nanocrystals, quantum dots, etc.
In a 3D-object, electrons can move freely in all three dimensions. In a film whose width is comparable
with the de Broglie wavelength (2D-object), electrons move without restrictions only in the film plane,
but in the perpendicular direction they are in a deep potential well; that’s why 2D-objects are usually
called quantum well. In 1D-objects, or quantum wires, two dimensions are comparable with the de
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Broglie wavelength. If the electron movement is limited in three directions, a nanostructure becomes a
0D-object, or a quantum dot with discrete electronic states.
Due to nanosized scale effects, nanostructured materials acquire novel mechanical, thermal,
electrical, magnetic and optic properties, which can surpass the properties of conventional bulk
[1],[2],[6],[7]
materials . Nanocomposites with nanoclays, nanotubes and various nanoparticles as fillers
are one of the most promising materials for space applications. They may be used as light-weighted
and strong structural materials as well as multi-functional and smart materials of general and specific
applications, e.g. thermal stabilization, radiation shielding, electrostatic charge mitigation, protection
[8]
of atomic oxygen influence and space debris impact .
Therefore, the creation of polymer nanocomposites with fillers of various shape and composition may
play the pivotal role in spacecraft development and implementation of challenging space projects.
Among possible fillers, the main attention is paid to carbon nanostructures: fullerenes, carbon
[6],[7]
nanotubes (CNT), graphene that represent particular allotropic forms of carbon . Due to superior
mechanical properties, high electric and thermal conductivity of these nanostructures, one may
develop various light-weighted and strong multifunctional nanocomposites. Of special interest are CNT
structural analogues, boron nitride nanotubes (BNNTs), that are electrical insulators and in addition to
[9],[10]
excellent mechanical properties and high thermal stability possess high resistivity to oxidation .
5 Main space environment components and processes
5.1 General
The space environment has a significant damaging effect on many materials, including nanostructured
materials. During the flight, the spacecraft is influenced by a set of space environment components:
electrons and high-energy ions, cold and hot space plasma, solar electromagnetic radiation, meteoroids
[11]–[18]
and space debris, vacuum and other factors . As a result of this impact, various physical and
chemical processes take place in the materials and elements of the spacecraft equipment, leading to
deterioration of their operational parameters. Depending on the nature of the processes triggered by
the impact of the space environment, the changes in the properties of materials and equipment elements
can have different time scales, be reversible or irreversible, and present a different degree of danger for
on-board systems. To evaluate the potential effects of the space environment on material properties
and the characteristics of spacecraft equipment, it is important to determine the combinations of the
most significant factors in various areas of outer space. In this case it should be regarded as effects
[12]
caused by the impact of individual components of the space environment, and their combined effect .
5.2 Space radiation
5.2.1 General
Ionizing radiations of the Earth's radiation belts are electron and proton flows with energies from
[11]–[15]
several hundred eV to several hundred MeV . As a result of different penetrability and energy,
ionizing particles exert influence on all materials independent of their location, both on the exterior of
spacecraft (coatings, blankets) and inside it. The dominant degradation mechanism depends on type
of material, LET, type of ray, etc. Ionizing radiation breaks chemical bonds but in other cases may lead
to cross-linking in polymers. These processes cause decomposition, embrittlement, colour change
and darkening, change in electrical resistivity, mechanical strength degradation, etc. Wire insulator
indicates decrease in breakdown voltage or cracks.
5.2.2 Special features of nanostructured materials response
Existing experimental and theoretical data demonstrate that nanostructured materials response to
[19]–[24]
space radiation can differ substantially from that of conventional bulk spacecraft materials .
When an electron or ion with high energy interacts with a nanostructure, only a small amount of
energy of the incident particle is imparted to it. Therefore, a nanostructured object is characterized by
a small number of additional charge carriers or structural defects that appear due to the irradiation;
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and their number i
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