Basic Physics of Nanoscience: Traditional Approaches and New Aspects at the Ultimate Level

By Wolfram Schommers

Basic Physics of Nanoscience: Traditional Approaches and New Aspects at the Ultimate Level deals with the description of properties at the Nano level and self-organizing quantum processes of Nano systems. The book presents the state of the art as well as theoretical discussions of future developments, beginning with simple Nano systems’ sensitivity to small variations in interaction potential compared to bulk cases, and continuing with a discussion of the structure and dynamics of Nano systems as a function of temperature. Additionally, the book analyzes self-organizing quantum processes—which are essential in the design of new Nano systems—in detail, and explores new aspects related to the quantum theoretical nature of time, leading to an expansion of the basic laws through nanotechnology. Finally, the book explores the effect of nanotechnological manipulations of brain functions and the need for the development of reliable models for the matter-mind complex. This innovative approach to understanding Nano systems makes Basic Physics of Nanoscience a vital resource for advanced students and researchers of physics, materials science, and neuroscience.

• Discusses nanoscience at the ultimate level where the properties of molecular (atomic) matter emerge
• Presents classical approaches in nanoscience as well as new aspects such as the quantum-physical nature of time
• Features an interdisciplinary approach, including physics, behavior research, brain research, the matter–mind–problem, and philosophical implications

• Language: English
• Publisher: Elsevier Science
• Release date: Sep 19, 2018
• ISBN: 9780128137192

Wolfram Schommers

Dr. Wolfram Schommers is a professor of theoretical physics, professor of physics and materials sciences, and a distinguished professor of physics in Europe, China, and the United States. Professor Schommers’ scientific activities are concentrated on computational and theoretical physics. His main research interests are nanophysics (nanoclusters, nanostructures and nanomachines, temperature effects, and electronic states) and foundations of physics. In addition to his numerous publications, Dr. Schommers has served as editor of multiple journals. He is also an invited member of the Humboldt Academy, Academic Board of the Humboldt Society, and Advisory Board of Medical Ethics of the 21th Century.

Book preview

Basic Physics of Nanoscience

Traditional Approaches and New Aspects at the Ultimate Level

Wolfram Schommers

University of Texas at Arlington, Arlington, TX, United States

Karlsruhe Institute of Technology, Karlsruhe, Germany

Table of Contents

Cover image

Title page

Copyright

Foreword

Chapter 1. Basic Elements of Nanoscience

Abstract

1.1 The Relevance of the Basic Laws

1.2 What is Time?

1.3 World Views

1.4 New Aspects: Summary

1.5 Interactions

1.6 Hierarchy of Parts in a Part

1.7 The Unified Whole

1.8 Analogy to General Theory of Relativity

1.9 Scientific Realism

1.10 Summary and Final Remarks

Chapter 2. Theoretical and Computational Methods

Abstract

2.1 The Pragmatic Point of View

2.2 Experiments and Opinions

2.3 Nanosystems: General Considerations

2.4 Theoretical and Computational Description of Usual Nanosystems

2.5 Theoretical Treatment

2.6 Interaction Potentials

2.7 On the Determination of Pair Potentials: Brief Remarks

2.8 Model-Independent Potentials

2.9 Embedded-Atom Method

2.10 Quantum Molecular Dynamics

2.11 Covalent Binding

2.12 Models for Many-Body Potentials

2.13 The Monte Carlo Method

2.14 Application of the Molecular Dynamics Method

2.15 Summary and Final Remarks

Chapter 3. New Aspects

Abstract

3.1 Basic Reality and Selections

3.2 Projection Principle: Basic Laws

3.3 Basic Equations

3.4 Stationary- and Nonstationary Behavior

3.5 The V-Stationarity

3.6 Equivalency

3.7 Noninteracting Objects

3.8 Characteristics

3.9 On the Determination of the Wave Functions

3.10 What is a Particle?

3.11 Summary and Final Remarks

References

Index

Copyright

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Foreword

Wolfram Schommers, University of Texas at Arlington, Arlington, TX, United States, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany

With the development of the scanning tunneling microscope, nanoscience became an important discipline. Single atoms could be moved in a controlled manner from one position to another and we learned to manipulate matter at its ultimate scale. This was the starting point approximately 30 years ago. Since then many nanotechnological systems have been developed and investigated. All scientific and technological disciplines are concerned here: Material science, medicine, biology, food chemistry, molecular computing, bioinformatics, etc.

For the understanding of nanoeffects, the basic laws of theoretical physics must be applied in all of these disciplines. In nanotechnology, we have one theory for all phenomena. In other words, technology has reached the level of science. In traditional technologies, engineers use more or less phenomenological descriptions, which generally cannot be deduced from basic physical laws; each discipline has its own description.

Why is theoretical physics the adequate frame for the description of nanosystems? The answer is simple: In nanotechnology we work at the ultimate level where the properties of matter emerge—in particular, biological individuality comes into existence.

This situation can be defined in absolute terms. Mark Rathner formulated the situation as follows: through nanotechnology, we can make materials whose amazing properties can be defined in absolute terms: This is not only the strongest material ever made, this is the strongest material it will ever be possible to make.

This is not only the case for materials (in particular, for nanostructured materials) but also for biological structures, such as DNA, enzymes, and proteins. They work at the nanoscale, building up, molecule by molecule, macroscopic biological systems we call trees, humans, and all the other things having their typical intimate features.

This ultimate level is governed by the laws of theoretical physics. However, the above used characterization absolute terms has nothing to do with that what is often called absolute truth. We discuss this point in this monograph.

•

Working at the ultimate level in particular means that any change in basic physical laws will directly influence nanotechnology, without any intermediate step. This can lead to completely new perspectives in connection with applications.

At the ultimate level the features and properties cannot be improved even further. We have reached the highest level. Therefore, to work on nanotechnology not only means to apply the laws of theoretical physics but also to develop them further. This could be important in connection with quantum theory, which is an essential tool for understanding nanosystems.

The products of nanotechnology are unimaginably small. For example, an electrical nanogenerator with a rotating kernel, modeled realistically, is very small. Approximately one million of such generators could be arranged side by side within a space interval of 1 cm. Such an electrical nanogenerator could in principle be produced atom by atom. A nanoengineer requires for the construction of the nanogenerator the laws of theoretical physics, and also for the development of nanostructured materials with tailor-made properties. In all of these cases the traditional methods of theoretical physics are sufficient. In this book we study relevant systems with traditional theoretical physics.

However, when we enter nanomedicine, for example, in the field of brain research, we obviously need new aspects for understanding. In the theoretical description of brain functions, new aspects inevitably come into play, which extend the traditional theoretical frame. In particular, here the relation between mind and brain must be explored with qualified analytical tools.

Nanoeffects are undoubtedly more drastic when we enter the realm of brain research. It is known that brain functions can be influenced by manipulation in the nanorealm. Certain experiments with animals have already been done for enhancing their intelligence, and many scientists are firmly convinced that also man’s intelligence can be increased considerably through nanotechnological activities. It is expected that also serious diseases as, for example, Alzheimer’s disease, can be cured in the future.

Are the tools that are developed so far in theoretical physics sufficient to understand all of this? Are we really in a position to adequately describe brain functions and their connection with the states of the mind? We will discuss this point critically in this book by means of basic principles.

•

Adequate theoretical and computational methods are necessary. Traditional tools and new aspects are here in the center. The threats connected with nanotechnology are obvious, specifically with respect to biological systems. For example, self-assembly can become an uncontrolled process. To avoid undesirable developments, the theoretical (computational) analysis of such processes is not only desirable but absolutely necessary. However, threats can be eliminated by the systematic theoretical analyses of the system under investigation using adequate laws from theoretical physics. Such theoretical investigations have to be done before we start to change experimentally sensible parts of the human bodies.

In conclusion, for the production of optimal nanosystems with tailor-made properties, it is necessary to analyze and construct such systems in advance with adequate theoretical and computational methods. Not only is material research concerned here, but nanomedicine as well along with the possibility of changing brain functions and other critical parts of the body.

To perform nanotechnological changes and developments experimentally is usually not a problem. But can we really understand the various steps? In other words, can we fully estimate the consequences for our life and civilization? This is a critical question. The current theoretical tools and conceptual strategies are probably not sufficient for this. It is questionable whether or not we can understand man’s intelligence on the basis of the current laws of theoretical physics alone.

•

So far, our experience is based on macroscopic technologies. All the modern nanotechnological developments are far from our usual experience but should be realizable in the not so distant future. For the treatment of such systems, we need reliable theoretical methods. It has been speculated that through nanotechnology our bodies will be transformed into none-decaying systems of infinite life. It is particularly planned to change the brain functions in order to increase man’s intelligence. This far from our usual experience. It has been speculated that even large areas of the earth could be transformed into a part hostile towards life. In other words, biological individuality would be no longer possible in such areas.

In conclusion, within nanotechnology two limiting cases can be touched. On the one hand, total destruction cannot be excluded and, on the other hand, an infinity life is possibly not only a dream.

The advantages through nanotechnology will be tremendous, but as we have already emphasized, there are serious threats. Without theoretical analysis we do not know the experimental outcome of a self-organizing process. Is it always an improved brain state? This depends on that what we want to change. In principle the self-organizing process could lead to an incorrect result and, due to the process, the healthy brain functions could be disturbed simultaneously or even destroyed. All that would be a disaster. In order to avoid this, self-organizing processes have to be investigated before we start such kind of activity.

Thus, the computational and theoretical methods of nanotechnology are not only essential for the prediction of new nanosystems but also to keep nanotechnology under control. In this book we discuss those essential methods.

•

The topics are discussed in connection with biological evolution and with respect to the nature of space and time. No doubt, evolutionary phenomena are important. Biological evolution determined how biological systems, i.e., human beings, have been developed in the course of time. What are the principles of evolution? Our planned developments in the nanorealm must be compatible with that what has been developed before through the principles of evolution. We have to go the same way or it should be at least similar. Just self-organizing processes have to be in accord with the principles of evolution.

Self-organizing processes undoubtedly belong to the heart of nanotechnology. We must be careful when we try to change our brain and other sensible parts of the body through self-organizing processes. What happens? We add, for example a specific gene to the brain and a self-organizing process starts until the brain is in the new state.

The description of self-organizing processes requires a realistic conception of time. Such processes reflect quantum phenomena and develop over the course of time. In other words, the notion time is relevant. However, the time is characterized in traditional quantum theory through the classical time conception introduced by Newton. There is no quantum aspect of time. A quantum time is missing, i.e., traditional quantum theory appears to be incomplete. This is reflected in the interpretation of this theory: More than 90 years after its formulation the interpretation of traditional quantum theory is by far the most controversial problem of current research in the foundations of physics and divides the community of physicists and philosophers of science into numerous opposing schools of thought (Max Jammer). What is the reason? The formalism is obviously not yet complete. The missing aspect of quantum time might be one of the reasons. This point is discussed in this monograph.

•

In modern science and technology, we plunge deeper and deeper into reality, and an overlap of the various disciplines is unavoidable. Thus, nanotechnology comprises essential scientific topics: World views, quantum phenomena, classical descriptions, basic reality, the role of the mind, absolute truth, observer’s truth, behavior research, evolution phenomena, space and time features, levels of reality. In this monograph all of these are considered. In order to get a close conception for nanotechnology these items must be involved.

April, 2018

Chapter 1

Basic Elements of Nanoscience

Abstract

In this paper, we discuss the limits of traditional physics, with regard to atomic interaction processes and the notion of time. It questions why modern technologies, in particular nanoscience, need a sophisticated physical background, arguing that new aspects could help to overcome certain problems with respect to usual quantum theory. The fact that there is no quantum aspect of time is discussed in connection with self-organizing processes. Evolution phenomena are essential points in the assessment of reality and certain features concerning space and time are quoted critically. The relationship between mind and basic reality has been analyzed in connection with the phenomenon of evolution. Some basic terms of traditional physics as, for example, interaction in space. We conclude that the use of absolute truth and final theory is not adequate. In nanotechnology we work at an ultimate level in which the properties of matter emerge; the term ultimate level is specified.

Keywords

Self-organizing processes; quantum time; space and time; interaction; evolution phenomena; ultimate level; truth; traditional physics

Chapter Outline

1.1 The Relevance of the Basic Laws 2

1.1.1 Threats 3

1.1.2 Properties in Absolute Terms 3

1.1.3 Traditional Ways of Description 4

1.1.4 Conclusion 6

1.2 What is Time? 7

1.2.1 Theoretical Treatment of Time 7

1.2.2 Time Feeling and Time-Machine 8

1.2.3 Future Processes in Nanotechnology 10

1.2.4 Formal Description of Self-Organizing Processes in Nanotechnology 12

1.3 World Views 17

1.3.1 The Traditional World View 18

1.3.2 New Aspects 19

1.3.3 The Analytical Treatment 25

1.3.4 Interactions in Basic Reality 32

1.4 New Aspects: Summary 34

1.4.1 Traditional View 35

1.4.2 Quantum Aspect of Time 39

1.4.3 Observation and Existence 48

1.5 Interactions 50

1.5.1 What Mechanism is Behind the Interaction? 51

1.5.2 Leaving the Traditional Way: New Developments 61

1.6 Hierarchy of Parts in a Part 67

1.6.1 How is Matter Organized? 67

1.6.2 Hierarchy of the Parts in a Part in Nanotechnology 69

1.6.3 Shift to More Fundamentally 70

1.7 The Unified Whole 71

1.7.1 Basic Formulations 72

1.7.2 Basic Laws 73

1.7.3 Decompositions 74

1.7.4 Sub-Ensembles 76

1.7.5 Final Remarks 78

1.8 Analogy to General Theory of Relativity 79

1.8.1 Facts of Projection Theory 79

1.8.2 Facts of General Theory of Relativity 80

1.9 Scientific Realism 81

1.9.1 How Basic are the Physical Laws? 81

1.9.2 The Naive Point of View 82

1.9.3 Not the Absolute Truth but an Observer-Dependent Truth 84

1.10 Summary and Final Remarks 86

The development of the scanning tunneling microscope made it possible to manipulate matter at its fundamental level where the properties of matter emerge. This scenario makes it necessary to apply the physical laws in their basic form. In traditional technologies (micro- and macrotechnique) engineers do not work at the fundamental level. They use more or less phenomenological descriptions which, in general, cannot be deduced from basic physical laws; each discipline has its own description.

1.1 The Relevance of the Basic Laws

In nanoscience we have one theory for all phenomena and this is given by the basic laws of theoretical physics. This has at least two consequences:

1. Since we are working at the atomic level, the properties of matter and functional matter must be defined in absolute terms because these properties are defined at the atomic level. For materials, the atomic level is the ultimate level: This is not only the strongest material ever made, but the strongest material it will be possible to make [1].

2. Working at the ultimate level also means that any change in the basic physical laws will directly influence nanotechnology, without any intermediate step. This can lead to completely new perspectives in connection with applications. Therefore, to work on nanoscience also means to develop the basic laws further. This could be important just in connection with quantum theory. New experimental results indicate that there is a need for that [2]. We will discuss this point in more detail in this monograph.

In other words, technology has reached the level of science: Nanoscience and nanotechnology are basically undistinguishable. In this connection theoretical and computational nanoscience is of particular relevance. Why theoretical and computational nanoscience? Clearly, in order to predict and describe new nanosystems and to give nanotechnology a direction. What are the elements of this description? We will discuss this point on the basis of traditional physics, but we have also to ask whether traditional thinking is sufficient for the theoretical treatment of nanosystems. We will come to the conclusion that the introduction of new aspects is needed.

1.1.1 Threats

But there is another point. Self-assembly is a typical nanodiscipline, and self-assembly can be an uncontrolled process, at least in principle. In other words, the final state can be uncertain. This can lead to undesirable developments, just in connection with biological systems. Therefore, the theoretical and computational analysis of such processes is not only desirable but absolutely necessary in order to keep nanotechnology under control with respect to the self-assembly of artificial biological systems where the final structure is generally unknown. No doubt, these are serious threats. These threats can be largely eliminated by the systematic theoretical analyses of the system under investigation using adequate laws from theoretical physics.

Again, with the development of the scanning tunneling microscope, nanoscience became an important discipline since for the first time single atoms could be moved in a controlled manner from one position to another and we learned to manipulate matter at its ultimate level. This is the smallest level at which the properties of our world emerge and at which functional matter can exist. For materials, the atomic level is considered the ultimate level.

1.1.2 Properties in Absolute Terms

This situation reflects an absolute state, as outlined by Daniel Ratner and Mark A. Ratner in their book Nanotechnology and Homeland Security. The following statement has to be kept in mind [1]:

… through nanotechnology, we can make materials whose amazing properties can be defined in absolute terms: This is not only the strongest material ever made, this is the strongest material it will ever be possible to make.

But also the brain reflects at the nanolevel such an absolute state. Also, at the nanolevel the properties of the brain are defined in absolute terms, as in the case of usual materials; at this level the brain features and the brain functions emerge. What happens with the mind of a human being when we manipulate the material structure of this brain at the nanolevel?

But what does properties in absolute terms mean at all? Here we have to be careful. Such formulations are dependent on the conception on which the physical laws are formulated. Thus, properties in absolute terms means the description and the measurement of the properties at the atomic level, and the atomic level is considered as the basic conception, which is only the present view. No doubt, the atomic level reflects a certain basic conception, but is it really the final view in the case of nanosystems when we measure and theoretically describe them? If not, the atomic picture for materials would be an approximation. We will come back to this point when we estimate the limits of the physical laws.

1.1.3 Traditional Ways of Description

How are the laws formulated when we work within the traditional way of thinking, i.e., when we investigate the usual physical laws. The characteristic functions are here the Hamilton function in connection with classical mechanics (Newton’s equations of motion are valid), and it is the Hamilton operator in the quantum-theoretical case (Schrödinger’s equation is valid). The Hamilton function has the following structure:

(1.1)

describes within this view a physically real interaction of the object with its environment and takes place in space.

The Hamilton operator is in principle given by

(1.2)

with

(1.3)

can be a function of time but this does not alter the principal scenario.

If be constructed in space and time on the basis of satisfying conceptions? This question has to be answered (we do so in Chapter 3: New Aspects). But it should be noted here that there are concrete reasons for the assumption that both formulas, Eqs. (1.1) and (1.2), reflect only approximations. Everything is more or less an approximation when we assume that the absolute truth is never reachable.

is used below in connection with the system-specific time.

is proportional to

(1.4)

are the interacting masses of the two objects as, for example, the moon and the earth. In the case of interacting point charges q and Q is proportional to the famous Coulomb potential

(1.5)

In the classical case, the Hamilton function :

(1.6)

is again the time shown by our clocks. The interaction of such an object is in general more complex than the terms expressed by (1.4) and (1.5). In Chapter 2, Theoretical and Computational Methods, we will discuss within the frame of molecular dynamics calculations more complex interaction potentials for atoms that are surrounded by other atoms.

We have to know the interaction law [examples are expressed (1.4) or (1.5)] and then we can solve Newton’s equations of motion and obtain a classical trajectory, and this scenario is valid for all classical objects. Celestial bodies and a lot of atomic systems, for example nanosystems, work on the basis of classical mechanics.

In the quantum-mechanical case, the Hamilton operator ; this scenario is valid too for all quantum objects, which are theoretically described by Schrödinger’s equation that is the basis for nonrelativistic treatments.

is however not dependent on the distance between two time-points, say

with

, but this is another question and has nothing to do with the aforementioned time-points.

is indicated by a clock. This principal conception is also valid for all the other theoretical developments after Newton.

1.1.4 Conclusion

We have the following situation. The structures of the basic Eqs. (1.1) and (1.2) are the same for all systems, and we may read the following basic conception from them:

There are physically real objects (atoms), which interact and

which are embedded in space. These systems develop in the

course of time .

Ratner’s statement (through nanotechnology, we can make materials whose amazing properties can be defined in absolute terms) refers to this kind of model: The nanolevel is defined here through interacting atoms. When we postulate that the properties of materials are given in terms of atoms, the nanolevel can in fact be considered as the ultimate level. But such and similar standpoints are still dependent on the world view.

?

1.2 What is Time?

as continuum because a certain sequence

(1.7)

is imaginable but, in contrast to space, we never experience such a sequence simultaneously.

Again, the space-continuum is directly in front of us but not the time-continuum. This feature suggests that the time is detached from the entire scenario and leads to the notion of an external time. This situation has to be discussed in connection with physical conceptions.

1.2.1 Theoretical Treatment of Time

Isaac Newton developed his theory on the basis of such everyday life experiences, and this is reflected through Eq. (1.6). The large success of Newton’s mechanics up to the present day shows that his way, to express the everyday life experiences mathematically, was ingenious. In other words, the daily life is the level where physics starts. However, the appearance of quantum phenomena made clear that Newton’s view of the world must be limited. On the other hand, quantum phenomena also may not be in contradiction to our daily experiences.

Nevertheless, the entire physics after Newton took over this basic conception, also by the Theory of Relativity and traditional quantum theory. No doubt, the physical laws have been improved fantastically, but the principal conception with all its obvious shortcomings (just with respect to the notion time) remained conserved up to the present day.

. There is no quantum