Application of Artificial Intelligence in

New Materials Discovery

Edited by

Inamuddin1, Maha Khan1, Mohammad A. Jafar Mazumder2,3,

1
Department of Applied Chemistry, Zakir Husain College of Engineering and Technology,
Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh-202002, India
2
Chemistry Department, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi
Arabia
3
Interdisciplinary Research Center for Advanced Materials, King Fahd University of Petroleum
& Minerals, Dhahran 31261, Saudi Arabia
Copyright © 2023 by the authors

Published by Materials Research Forum LLC

Millersville, PA 17551, USA

All rights reserved. No part of the contents of this book may be reproduced or
transmitted in any form or by any means without the written permission of the publisher.

Published as part of the book series

Materials Research Foundations
Volume 147 (2023)
ISSN 2471-8890 (Print)
ISSN 2471-8904 (Online)

Print ISBN 978-1-64490-252-3

eBook ISBN 978-1-64490-253-0

This book contains information obtained from authentic and highly regarded sources.
Reasonable efforts have been made to publish reliable data and information, but the
author and publisher cannot assume responsibility for the validity of all materials or the
consequences of their use. The authors and publishers have attempted to trace the
copyright holders of all material reproduced in this publication and apologize to
copyright holders if permission to publish in this form has not been obtained. If any
copyright material has not been acknowledged please write and let us know so we may
rectify this in any future reprints.

Distributed worldwide by

Materials Research Forum LLC

105 Springdale Lane
Millersville, PA 17551
USA
https://www.mrforum.com

Manufactured in the United States of America

10 9 8 7 6 5 4 3 2 1
 Table of Contents
Preface

Artificial Intelligence Nano-Robots

Eksha Guliani, Anita Gupta, Tejendra K Gupta ............................................................... 1

Data Mining in Material Science

Moganapriya Chinnasamy, Rajasekar Rathanasamy, Samir Kumar Pal,
Manoj Kumar Kathiresan, Sathish Kumar Palaniappan ................................................. 24

Artificial Intelligence Applications in Solar Photovoltaic

Renewable Energy Systems
Ifeanyi Michael Smarte Anekwe, Emmanuel Kweinor Tetteh,
Edward Kwaku Armah .................................................................................................... 47

Artificial Intelligence in Material Genomics

Joy Hoskeri H, Nivedita Pujari S, Badrinath Kulkarni, Arun K. Shettar ....................... 87

Applications of Artificial Intelligence in Polymer Manufacturing

Satyansh Srivastava, Bhoomika Varshney, V.P. Sharma, Babra Ali3 ......................... 105

Artificial Intelligence for Energy Conversion

Tapasi Ghosh, Bhargavi Koneru, Prasun Banerjee ....................................................... 123

Keyword Index
About the Editors
 Preface
Researchers in the field of materials science have been attempting to develop
innovative materials with enhanced operating qualities while still fulfilling economic
and environmental standards for a long time. The key purpose of this activity is to
produce materials with outstanding attributes such as hardness for tools, heat resistance
for insulators, wear or abrasion resistance, corrosion resistance, elasticity for flexible
systems, ecofriendly, easy recycling, cheap cost, and other characteristics. Meeting
these criteria has become even more difficult as the global free-market economy
continues to evolve at a rapid pace. Engineered materials, which arose as an outcome of
scientific progress near the close of the twentieth century, are currently discovering
new ways to be produced and shaped. At the moment, there is a continuous trend away
from empirical methods of examining reality in favor of new and advanced technology,
mostly computer-based procedures that start with mathematical models of the subject
of research.

These techniques including artificial neural networks, Bayesian, support vector

machines, heuristics, etc. have been successfully applied in the prediction of crystal
structure, component prediction, process optimization, finding solutions to DFT
(density functional theory), monitoring, or classification problems in material science.

Material science that once was considered a branch of art gradually shifted towards
science on mathematical application and now has become the ultimate topic of artificial
intelligence. With the popularity of Google DeepMind and the success of the alpha-
zero algorithm in solving problems related to protein unfolding, there is a growing
interest amongst researchers to learn, apply and include artificial intelligence as an
integral part of their research just like mathematic and allied techniques.

This book examines the function and use of artificial intelligence in solving
complicated and time-consuming issues in material science in order to obtain improved
and desired qualities for the material under investigation.

Chapter 1 discusses the role of robots and artificial intelligence in practical service
solutions, and their importance to understand technology in value co-creation. In this
chapter, the role of composite materials, shape memory polymers, and liquid crystals in
robotic devices are discussed. The next section of this chapter explains the components
and materials, movements in nanorobots, and mechanism. Finally, the future challenges
and concluding remarks along with future scope are addressed.

Chapter 2 briefly summaries the evolution of materials science research, followed by an

emphasis on the key principles and basic processes of AI technique. Machine learning
applications in materials science include novel material discovery, material property
predicting and other objectives spanning from macro to micro level are discussed in
detail.

Chapter 3 provides a review of the application of artificial intelligence in a solar PV

system and highlights the challenges and prospects for its effective implementation in a
renewable energy system. In addition, an overview of the application of artificial
intelligence in renewable energy systems was presented.

Chapter 4 showcases some of the key advancements in the field of artificial intelligence
and its reflections in the discovery and development of material genomics. This chapter
also covers generation-wise growth in the artificial intelligence domain and its
subsequent implications in high throughput material synthesis and fabrication.

Chapter 5 discusses that artificial intelligence (AI) is multidisciplinary with

extraordinary potential and opportunities for the development of innovative polymers.
It involves computational, experimental, theoretical, and state of art approaches through
machine learning, data-driven modes as well as mechanistic insights under regulatory
compliance.

Chapter 6 demonstrates the advancement of machine learning and deep learning

techniques for the exploration of the resources and methodologies for energy
conversion. The major focus is given on how the power of AI can be utilized to
facilitate the process of discovering new materials as alternative energy sources.

Editors
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

Chapter 1

Artificial Intelligence Nano-Robots

Eksha Guliani1, Anita Gupta1 and Tejendra K Gupta1*

1
Amity Institute of Applied Sciences, Amity University, Sector-125, Noida 201313, India
*[email protected]

Abstract
The interaction of humans with technology is greatly connected and built up by trust, it is
an inevitable user acceptance that is required at every step. There is an existence of
applications of artificial intelligence (AI) and robotics in the field of engineering,
architecture, and construction industry. Therefore, there is a requirement for carrying out
studies related to the trust aspect in every system. As artificial intelligence (AI) and robots
are increasingly taking place in practical service solutions, it is necessary to understand
technology in value co-creation. There has been a tremendous advancement in the field of
nanotechnology which has ultimately led to the production of nanorobots, and these have
a wide range of applications in nanomedicine. Thus, a nanorobot being an artificial device
should be employed and used as a strategy to escape from such kind of immune system.
To prevent barriers during the movement trajectory, a self-organized trajectory should be
planned for a nanorobot to function accordingly. Due to some of the practical limitations,
all the scientists could afford to compromise the product design so that it suits the needs in
various stages from a unique design position. This revolution might place the twenty-first
century at a decisive position in the era of history.
Keywords
Robotics, Nanorobots, Nanotechnology, Materials, Composites

Contents

Artificial Intelligence Nano-Robots ....................................................................1

1. Introduction................................................................................................3
2. Composites..................................................................................................5

1
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

2.1 Liquid crystal elastomers .....................................................................5

2.2 Shape memory polymers .....................................................................6
2.3 Hydrogels .............................................................................................7
2.4 CNT actuators ......................................................................................7
2.5 Conducting polymers ...........................................................................8
3. Components and materials .......................................................................9
4. Movement in nanorobots ........................................................................10
5. Mechanism and stimulation....................................................................11
6. Trust dimensions......................................................................................14
6.1 Reliability and safety .........................................................................14
6.2 Explainability and interpretability .....................................................14
6.3 Privacy and security...........................................................................14
6.4 Performance and robustness ..............................................................15
7. Actuators ..................................................................................................15
7.1 Thermally responsive actuators .........................................................15
7.2 Photo-responsive actuators ................................................................16
7.3 Magnetically responsive actuators.....................................................16
7.4 Electrically responsive actuators .......................................................16
8. Applications ..............................................................................................17
8.1 Cancer detection and its treatment.....................................................17
8.2 Nanorobots in the diagnosis and treatment of diabetes .....................17
8.3 Artificial oxygen carrier nanorobot ...................................................17
9. Future challenges .....................................................................................17
Conclusion and future scope .............................................................................18
Conflict of interest..............................................................................................18
Acknowledgment ................................................................................................18
References ...........................................................................................................18

2
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

1. Introduction
Technology has now made an important place in everyone’s life. In today’s scenario, due
to the burgeoning population, there is a great advancement in the field of science and
technology. Smartphones nowadays wake up from sleep and there are automatic toasters
that can prepare breakfast while in bed. These are the machines that mimic the cognitive
functions of human beings and can be easily programmed to perform complex actions
automatically with great ease. These machines/gadgets are hence known as artificially
intelligent machines which are commonly called robots. They can access a basic daily
routine by extracting information from various calendars, tracking the sleep cycle, and start
preparing meals by knowing the right times from daily routines. This has become possible
only because of artificial intelligence which makes robots common in markets, workplaces,
restaurants, etc., and therefore, robots can change the lifestyle of people and emerge as the
machines which are the future of human beings [1-10]. Just imagine that communication
to the workplace in a robotic driverless car would give us time to read, receive calls, or
even take a nap. The robotic car can even serve as our assistant which can keep a record of
all the chores that people do and plan the best route that must be followed to reach the
destination well on time by checking the traffic data and eliminating the congested route
[11]. Robots can very well assist humans in their tasks. In this direction, tremendous
advancements made over the decades have shown that robotic devices can manipulate,
interact and locomote with the surroundings in different ways. They can recognize objects,
learn to improve control, acquire new knowledge, coordinate a team, and can imitate
simple motions performed by humans [12-15].
The latest field of technology is nanotechnology which best describes the activities which
are considered mainly at the very basic starting from atomic and molecular level as these
have tremendous applications in the real world. So, to achieve cost-effectiveness in the
field of nanotechnology, it is necessary to cause molecular manufacturing automatically.
The process of manufacturing or the engineering related to the products at the molecular
level must be processed through robotic devices that are termed nano-robots [16-18]. The
interaction of mankind and technology is very much connected with the trust which is an
inevitable requirement of acceptance by the user. Among several applications of artificial
intelligence, robotics has emerged in every sphere of life including architecture,
construction, and engineering. Robotic work on artificial intelligence is nowadays essential
in organizational and industrial processes [19-21]. It has become prominent in our lives
and with the emergence of intelligent agents in an industry, there is an ability to the
formation of trust that has become more apparent in today’s scenario. There are certain
limitations that scientists and engineers have encountered while designing the product data
required to fit at different stages from a traditional design to the improvised version. The

3
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

design required for traditional manufacturing causes a reduction in the potential efficiency
but when it is combined with artificial technology, it boosts the industries like health care,
sensing, robotics, aerospace, etc. which make nanorobotics an essential branch in the field
of science and technology [22-30].
To achieve the pace of robotics, it is essential to go beyond them with faster development
of easily adaptable technologies. One way is to relate with the nano-robots this thinking of
the artificial organisms. Conventional robots can be easily divided into electrical,
computational, and electrical domains and artificial organisms or nano-robots can be
thought of as having several components in their system which act as the body. Therefore,
it can be said that functional equivalence is there that acts along with the natural organism
through a robotic organism, called the brain and it is very much similar to the control
system and even acts as a computer. The body of the natural organism resembles the
mechanical structure of the nanorobot, and the stomach of the natural organism is the power
of the robot just like a battery or a cell [31]. A related diagram is shown in Figure 1.

Figure 1: Illustration of a nanorobot targeting the active site. Adopted from Big Data
Analytic News website (https://voi.id/en/technology/86234/3-tiny-robots-that-changed-
the-world-some-can-break-down-plastic).

A play was performed by Karel Capek in 1920, which used the word robot for the very
first time. Then in 1932, Japan was the first country to introduce a toy robot called Lilliput
that had a rigid, canonical, and stocky appearance. It was about 15 cm tall that could walk
with a thin figure. After that, in 1942, Isaac Asimov showed three laws required for the
working of robots. In the year 1950, Alan Turning formulated a test drive that could
measure the artificial intelligence of computers. The first and foremost programmable
robot named Unimate was designed in 1954 successfully by Joe Engelberger and George
Devol. It was then used in the assembly line of General Motors. It could perform various

4
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

dangerous tasks with the help of an arm that it consisted of. Then, in 1956, Unimation was
formed which was the first team that developed robots. These are used in automobiles and
1966, “Shakey” was developed which was the first ever mobile robot created at Stanford
at the artificial intelligence center. In 1980, Dr. Eric Drexler published numerous articles
based on nanoscale devices, and later in 1986, he published his book titled “Engines of
Creation”, the first book ever on nanotechnology [32].

2. Composites
A composite can be defined as a material that is made from two or more kinds of materials
which when combined result in a material by itself when compared to the individual
materials. Polymeric composites are the only composites that have tremendous
applications. Electroactive polymer-based composites have been used as one of the key
materials required in the making of nano-robots. All these electroactive polymer-based
composites include ionic polymer-metal composites, some conductive materials are filled
polymer composites, magnetic and electronic polymer gel composites, etc. that are used
for the process of manufacturing the body parts of nano-robots, their sensing parts, and
artificial organs which include actuator system, artificial muscles, biomimetics, etc. Some
of the majorly used composites that are required for the design of the nano-robots are
described below.

2.1 Liquid crystal elastomers

Liquid crystal elastomers (LECs) are those polymeric networks that have a liquid crystal
moiety that causes the process of shaping morphine to occur. There is the formation of
ordered domains of the liquid crystals that are anisotropic. There is a transition of domains
between an isotropic state and a disordered state mainly due to the response obtained from
the photo-switchable chemical unit or maybe due to the thermal transition leading to a
change in shape macroscopically. There is a change in shape that can be easily manifested
in the form of a linear motion which acts as an artificial muscle as well as it can be
manipulated to change the shape leading to transformation in a much more complicated
way. The complex solution in the shape can be attained by the process of additive
manufacturing that enforces a shear that supports the domains of liquid crystal. But the
complexity of the change in shape which is not at all limited to the fat sheets can be easily
formed through the alignment in the domains in the presence of a magnetic field while the
processing is taking place. Therefore, the skill to cause a change in the complex shapes acts
as a benefit of utilizing the liquid crystal elastomers for actuation as depicted in Figure 2
[32].

5
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

Figure 2: Schematic of the reversibility related to the liquid crystal elastomers.

2.2 Shape memory polymers

Just like liquid crystal elastomers (LCE), there exist shape memory polymers (SMPs) that
can provide the capacity or capability to change the shape with a great recoverable strain
that involves the usage of a compliant material. The mechanism involved in the change
depends on the transition of phase which involves the crystalline domain formation or
maybe a glass transition to take place. The synthesis of shape memory polymers gives a
permanent change to the shape. The programmed shape is the shape through which there
is cycling back of the material and moving forth towards attaining the permanent shape. In
several cases, the programmed shape can be easily produced by causing deformation in the
material mainly above its melting point to obtain those kinds of domains that are
crystalline. These are then finally logged in a programmed shape and by the action of
entropy, the permanent shape can be retained by causing melting only under stress-free
conditions. One of the best qualities of shape memory polymers is that these are heat shrink
tubing films that can show a one-way shape memory effect that eventually transforms to a
permanent shape from a programmed shape as shown in Figure 3 [32].

Figure 3: Schematic diagram of the nature of shape memory polymers.

6
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

2.3 Hydrogels
Hydrogels are one of the best and most useful matrix materials which have been used for
functional composites. These materials have the functionality to exhibit ionic conductivity,
processability, and adhesion and are very much responsive to pH, light, chemicals, ions,
etc. There are certain responsivities discovered for hydrogels and one of them is the change
which is caused by gelation along with the temperature change. The process of gelation
can occur as the temperature decreases or increases but it also depends upon the structure
of hydrogels. Hydrogels have been known to bring about a great range of functionalities
into the material as shown in Figure 4. These can be synthesized or processed to form
double networks which can improve certain properties like the toughness and stretchability
of the material. These are very much essential for applications including soft robotics and
even health care that include actuation, responsivity, and sensing. Hydrogels become the
primary examples of those materials which have physical intelligence as soon as these are
processed as composites [33].

Figure 4: Orientation of a hydrogel. Adopted from the website of micropore technologies

(https://microporetech.com/membrane-encapsulation/hydrogels).

2.4 CNT actuators

The single-walled carbon nanotubes (SWCNTs) can be considered as graphite having only
one layer and is rolled in such a way that it forms a cylinder having a diameter of
nanometers. Multiwalled carbon nanotubes (MWCNTs) have mechanical properties
exceptionally good whereas SWCNTs have a tensile modulus of 640 GPa that approaches
diamond, but their tensile strength is thought to be around 20-20 GPa which is around 10
times greater than any kind of the continuous fiber. The mechanical properties present in
this kind of range are vividly noticed for individual single-walled carbon nanotubes but
those which are noticed for the group of such nanotubes in the form of sheets are a kind of
much lower that eventually restricting the actuators’ performance based on the sheets of

7
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

nanotubes. There is a supply of voltage between the actuating nanotube electrode along
with a counter electrode with the help of a solution that contains ions which ultimately
leads to charging. There exists some electrostatic force of repulsion between the charges
that develop on the carbon nanotubes which toil against these stiff carbon-carbon bonds to
expand and also to elongate in the form of nanotubes with the help of quantum mechanical
effects which can predominate the electrostatic force is even at low levels of the injection
of charges. Just like the dielectric elastomers, the strains are very much low because carbon
nanotubes are extremely stiff as shown in Figure 5 [33].

Figure 5: Schematic diagram of the actuators of carbon nanotubes.

2.5 Conducting polymers

The undoped conducting polymers are semiconductor types of materials that become
conducting on doping with some donor or acceptor ions. Doping is a process that involves
the addition of any impurity that improves the conductivity of a material, and it can be
achieved either electrochemically or chemically. It involves various applications like
electrochemical windows, energy storage, actuation devices, polymer light-emitting
diodes, and sensing. Polyaniline and polypyrrole are the two best examples of common
conducting polymers and their structures are shown in Figure 6. The process of insertion
of an electron into an electrode could be facilitated by causing an increase in the volume
with an increase in the insertion of cations as well as a decrease in the volume is observed
when the anions are removed. This even depends upon the type of conducting polymer or
the conducting electrolyte system that is being used, its initial state as well as the change
in the potential rate that is employed for actuation. Such processes can even take place at

8
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

the counter electrode and the advantage of using conducting polymers instead of
electroactive polymers is that the operating voltage is low. These are cheaper than carbon
nanotubes and have a high strain and low electromechanical coupling just like carbon
nanotubes [34].

Figure 6: Chemical structures of conducting polymers: Polyaniline and polypyrrole.

3. Components and materials

Nano-robots are artificial organisms that are almost present everywhere and have a wide
range of applications that have made the life of humans much easier than ever before. The
nanorobots are made up of basic components and materials. Some of the main components
are described below:
● Payload: This section comprises a very small medicine dose that can transverse in
the human blood and could distribute the captured drug accurately and transfer to
the particular site of injury or infected site.
● Micro-camera: A nanorobot has a tiny camera inside which facilitates the operator
to steer the nanorobot when it navigates manually inside the body.
● Electrodes: The electrodes are fixed on the nanorobots and could make a battery
with the help of electrolytes present in the blood. These electrodes can destroy the
cancer cells through the electric current generation and hence heating the cells.
● Ultrasonic signal generators: These are those generators that come into play when
nanorobots target and could eliminate or destroy the stones present in the kidney.
● Swimming tail: The nanorobots need a means through which they can enter a
human body so that they could move with the bloodstream flow inside a human
body.
● Motor: Nanorobots have motors that enable them to cause movement inside the
body and these are required for the mobility of the nanorobots [34].

9
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

● Biochip: It is required for the manufacturing of nanorobots that can be incorporated

into electronic devices that can allow teleoperations which act as the basic material
mainly for some medical applications.
● Nubots: It is an abbreviation referring to robots made from nucleic acids. It is a
synthetic robot device used as a representative to include various DNA moieties
[35].

4. Movement in nanorobots
One of the most important aspects of the robots at the nanoscale is their movement and the
various applications required for the trajectory which leads to their movement. About three
behavioral control techniques have been recorded and taken into consideration to control
the motion of the nano-robots. The first approach requires the small motion of nano-robots
which is termed Brownian motion, and this helps to spot a particular target by doing a
completely random search. Another approach of nanorobot required for the chemical
concentration intensity is mainly for E-cadherin signals. As soon as any signal is detected,
that particular nanorobot is capable to calculate the intensity of the concentration gradient
and hence move toward a concentration that is higher until it extends to its target. One more
approach involves the release of a chemical at the target by the nanorobot which is
eventually used as a guiding signal for others to find their target. The above-mentioned are
the three approaches by which the nano-robots can expand across in an arbitrary manner.
Another important thing to keep in mind while carrying out the movement in the nano-
robots is the avoidance of obstacles which is a vital factor to take into account in the
complete control strategy of the nanorobot.
Each nanorobot that is placed inside the human body can encounter the immune system
which acts as an obstacle for it along with its flow which is caused in the human body.
Therefore, nano-robots must be designed in such a way that they have a strategy to avoid
an escape from such an immune system that acts as an obstacle for it. So, nano-robots are
equipped with sensors that are capable to detect and avoid obstacles and can identify them
when it comes across them. To avoid obstacles during its trajectory, a sort of self-organized
trajectory is very much required to be planned. Can be of various sizes and shapes, just for
the sake of simplicity all the obstacles are considered circles for the sake of representation
and the structure of the obstacles this represented as follows:
Over here, consider P center as the center point, P radium as the radium, and P velocity as
the velocity of the obstacle that is moving. Consider a two-dimensional coordinate system,
known as the polar coordinate system. Over here, the points that are marked on a plane are
defined by a certain angle and the distance which is therefore used to spot a suitable path

10
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

of trajectory required for the obstacle to be avoided during the movement of the nanorobot.
Therefore, all the mentioned terms can be represented as follows:

Obstacle= <Pcenter, Pradium, Pvelocity> (1)

A nanorobot can detect or dynamic obstacles present in its way in real-time and can get
information on all the obstacles which eventually helps in the determination of the
trajectory of the movement. A polar equation involving the polar coordinates of the
obstacle in which, r is a variable that is the radium of the obstacle and (ri, θi) is defined as
the center of the obstacle can be represented as follows and a related diagram is depicted
in Figure 7 [36].

r2-2rricos(Ɵ-Ɵi)+ri2-r2 = 0 (2)

Figure 7: Schematic diagram of the obstacles in the polar coordinates.

5. Mechanism and stimulation

There are tremendous uses for nanorobots in every sphere of life. These are inserted or
injected into the body of humans before acquiring a specific organ or tissue of the target.
Like this, they can detect the macroscopic variations and then communicate the recorded
changes to the other nanorobots present in the vicinity and thus work as a group inside the
body. The target set is recognized with the help of chemical recognition because a required

11
Application of Artificial Intelligence in New Materials Discovery Materials Research Forum LLC
Materials Research Foundations 147 (2023) 1-23 https://doi.org/10.21741/9781644902530-1

target has many surface chemicals that allow the nanorobots to detect and finally recognize
it. Nanorobots are also able to differentiate and recognize various cells by recording the
changes appearing in concentration, volume, velocity, temperature, and pressure of the
cells present in the body. Nanorobot hence acts as a machine that is embedded and
integrated with the devices which include data transmission, actuation, sensing, coupling
power, and remote control uploading. These even have various capabilities of sensing the
regions set as targets and even detecting the obstacles coming along their way [36].
The muscles are elegant machines that consist of protein filaments that interact
continuously so that they could slide over one another. It is very much exciting to construct
or deduce a similar kind of mechanism with the help of organic chemistry which can
eventually be guided by some of the engineering considerations. These molecular actuators
are being designed and are constantly investigated so that various mechanisms can be
applied to both light-driven, and voltage-driven conformational changes. One of the most
interesting features of the light stimulated based artificial muscles is that there is not any
requirement of making contact with the actuator to carry out the energy delivery. An
example of this kind of molecule is azobenzene. This has an amazing application in drug
delivery which utilizes the infrared radiation of a particular wavelength that is apparent to
the human body.
There is an existence of the cis- and trans-isomerization in the actuators of an excited
azobenzene which causes a relative expansion in the length of the polymer which also leads
to certain deformation which can be measured at the single molecular level and even
macroscopically. If there is a large barrier of energy among the conformations, it reveals
that the efficiency is moderate. Many alternative actuation mechanisms based on
photochemical methods exist that comprise the usage of cinnamic acid-based polymers
which are cross-linked reversibly when exposed to ultraviolet light. Certain challenges
exist for these kinds of molecular actuators which include high quantum efficiency for
actuators that are driven with photons and high electrical conductivity for those actuators
which are electrochemically or electrically driven as shown in Figure 8 [37].

12