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Cosmic Complexity

What explains the extraordinary complexity of the observed universe, on all scales from quarks to the accelerating universe? My favorite explanation (which I certainty did not invent) ls that the fundamental laws of physics produce natural instability, energy flows, and chaos. Some call the result the Life Force, some note that the Earth is a living system itself (Gaia, a "tough bitch" according to Margulis), and some conclude that the observed complexity requires a supernatural explanation (of which we have many). But my dad was a statistician (of dairy cows) and he told me about cells and genes and evolution and chance when I was very small. So a scientist must look for me explanation of how nature's laws and statistics brought us into conscious existence. And how is that seemll"!gly Improbable events are actually happening a!1 the time? Well, the physicists have countless examples of natural instability, in which energy is released to power change from simplicity to complexity. One of the most common to see is that cooling water vapor below the freezing point produces snowflakes, no two alike, and all complex and beautiful. We see it often so we are not amazed. But physlc!sts have observed so many kinds of these changes from one structure to another (we call them phase transitions) that the Nobel Prize in 1992 could be awarded for understanding the mathematics of their common features. Now for a few examples of how the laws of nature produce the instabilities that lead to our own existence. First, the Big Bang (what an insufficient name!) apparently came from an instability, in which the "false vacuum" eventually decayed into the ordinary vacuum we have today, plus the most fundamental particles we know, the quarks and leptons. So the universe as a whole started with an instability. Then, a great expansion and cooling happened, and the loose quarks, finding themselves unstable too, bound themselves together into today's less elementary particles like protons and neutrons, liberating a little energy and creating complexity. Then, the expanding universe cooled some more, and neutrons and protons, no longer kept apart by immense temperatures, found themselves unstable and formed helium nuclei. Then, a little more cooling, and atomic nuclei and electrons were no longer kept apart, and the universe became transparent. Then a little more cooling, and the next instability began: gravitation pulled matter together across cosmic distances to form stars and galaxies. This instability is described as a "negative heat capadty" in which extracting energy from a gravitating system makes it hotter -- clearly the 2nd law of thermodynamics does not apply here! (This is the physicist's part of the answer to e e cummings' question: what is the wonder that's keeping the stars apart?) Then, the next instability is that hydrogen and helium nuclei can fuse together to release energy and make stars burn for billions of years. And then at the end of the fuel source, stars become unstable and explode and liberate the chemical elements back into space. And because of that, on planets like Earth, sustained energy flows support the development of additional instabilities and all kinds of complex patterns. Gravitational instability pulls the densest materials into the core of the Earth, leaving a thin skin of water and air, and makes the interior churn incessantly as heat flows outwards. And the heat from the sun, received mostly near the equator and flowing towards the poles, supports the complex atmospheric and oceanic circulations. And because or that, the physical Earth is full of natural chemical laboratories, concentrating elements here, mixing them there, raising and lowering temperatures, ceaselessly experimenting with uncountable events where new instabilities can arise. At least one of them was the new experiment called life. Now that we know that there are at least as many planets as there are stars, it is hard to imagine that nature's ceasess experimentation would not be able to produce life elsewhere -- but we don't know for sure. And life went on to cause new Instabilities, constantly evolving, with living things in an extraordinary range of environments, changing the global environment, with boom-and-bust cycles. with predators for every kInd of prey, with criminals for every possible crime, with governments to prevent them, and instabilities of the governments themselves. One of the instabilities Is that humans demand new weapons and new products of all sort, leading to serious investments in science and technology. So the natural/human world of competition and combat is structured to lead to advanced weaponry and cell phones. So here we are In 2012, with people writing essays and wondering whether their descendents will be artificial life forms travelling back into space. And, pondering what are the origins of those forces of nature that give rise to everything. Verllnde has argued that gravitation, the one force that has so far resisted our efforts at a Quantum description, is not even a fundamental force, but is itself it a statistical force, like osmosis. What an amazing turn of events! But after all I've just said, I should not be surprised a bit.

Mather, John C.↗

MBX V1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations

The MBX software provides an advanced platform for molecular dynamics simulations, leveraging state-of-the-art MB-pol and MB-nrg data-driven many-body potential energy functions. Developed over the past decade, these potential energy functions integrate physics-based and machine-learned many-body terms trained on electronic structure data calculated at the "gold standard" coupled-cluster level of theory. Recent advancements in MBX have focused on optimizing its performance, resulting in the release of MBX v1.2. While the inherently many-body nature of MB-pol and MB-nrg ensures high accuracy, it poses computational challenges. MBX v1.2 addresses these challenges with significant performance improvements, including enhanced parallelism that fully harnesses the power of modern multicore CPUs. In conclusion, these advancements enable simulations on nanosecond time scales for condensed-phase systems, significantly expanding the scope of high-accuracy, predictive simulations of complex molecular systems powered by data-driven many-body potential energy functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A comprehensive ARPES study on the type-II Dirac semimetal candidate Ir 1-x Pt x Te 2

The transition metal dichalcogenide Ir 1-x Pt x Te 2 displays both superconductivity and a topological band structure. Using angle-resolved photoemission spectroscopy, we obtain a comprehensive understanding of the three-dimensional electronic structure in the normal state of Ir 1-x Pt x Te 2 for doping levels from x = 0.1 to 0.4, which spans the composition range of a superconducting state to a non-superconducting state. Many features of the electronic structure can be attributed to strong Te–Te interactions between the layers of the layered crystal structure and can be resolved by photon energy dependent measurements. We demonstrate that the type-II Dirac fermions can be successfully tuned via Pt doping, where the Dirac point lies close to the Fermi level for x = 0.1. The band evolution vs doping provides a clearer understanding of the relationship between the superconductivity and electronic structure. In addition, the β band in the superconducting samples locates the system close to a type-II van Hove singularity, where spin triplet paring symmetry has been predicted. Our results provide a comprehensive understanding of the band structure of Ir 1-x Pt x Te 2 , and we discuss the possibilities of the existence of topological superconductivity in this system.

36 MATERIALS SCIENCE↗

Effects of Spatial Gradients on Electron Runaway Acceleration

The runaway process is known to accelerate electrons in many laboratory plasmas and has been suggested as an acceleration mechanism in some astrophysical plasmas, including solar flares. Current calculations of the electron velocity distributions resulting from the runaway process are greatly restricted because they impose spatial homogeneity on the distribution. We have computed runaway distributions which include consistent development of spatial gradients in the energetic tail. Our solution for the electron velocity distribution is presented as a function of distance along a finite length acceleration region, and is compared with the equivalent distribution for the infinitely long homogenous system (i.e., no spatial gradients), as considered in the existing literature. All these results are for the weak field regime. We also discuss the severe restrictiveness of this weak field assumption.

MacNeice, Peter↗

Power Converter Design for the Europa Lander Motor Controller

This paper will outline the design and test results for the Europa Lander motor controller’s Power Conversion Slice. Europa Lander is a proposed NASA mission concept to send a stationary spacecraft to Jupiter’s Icy Moon, Europa, to search for subsurface biosignatures. The Power Conversion Card is one of the many technologies designed for this mission. The Power Conversion Card’s primary function is to convert the power supplied by the spacecraft battery to usable power for use within the motor controller. In addition, this card provides power system telemetry to the spacecraft computer. This card tolerates Europa’s harsh radiation environment within a protected vault to enable it to survive the external temperatures which can be as low as -184°C during the three-week mission. This design makes use of multiple commercially available radiation hardened electronics, including Cobham’s UT32M0R500 Arm Microcontroller along with VPT’s DC-DC Converters for power conversion. The microcontroller is used to collect local power system telemetry and assess card health autonomously without intervention from the spacecraft’s main computer. This paper will showcase the design behind the prototype and electrical testing results.

Lias, Malcolm↗

Ferromagnetic Insulator to Metal Transition in Noncentrosymmetric Graphene Nanoribbons

Engineering sublattice imbalance within the unit cell of bottom-up synthesized graphene nanoribbons (GNRs) represents a versatile tool for realizing custom-tailored quantum nanomaterials. The interaction between low-energy zero-modes (ZMs) not only contributes to frontier bands but can form the basis for magnetically ordered phases. Here, we present the bottom-up synthesis of a noncentrosymmetric GNR that places all ZMs on the majority sublattice sites. Scanning tunneling microscopy and spectroscopy reveal that strong electron–electron correlations, leading to the Stoner magnetic instability, drive the system into a ferromagnetically ordered insulating ground state featuring a sizable band gap of E g ∼1.2 eV. At higher temperatures, a chemical transformation induces an insulator-to-metal transition that quenches the ferromagnetic order. Tight-binding (TB), density functional theory, and GW calculations corroborate our experimental observations. Furthermore, this work showcases how control over molecular symmetry, sublattice polarization, and ZM hybridization in bottom-up synthesized nanographenes can open a path to the exploration of many-body physics in rationally designed quantum materials.

Band structure↗

Local probes for quantum Hall ferroelectrics and nematics

Two-dimensional multivalley electronic systems in which the dispersion of individual pockets has low symmetry give rise to quantum Hall ferroelectric and nematic states in the presence of strong quantizing magnetic fields. In this work, we investigate the local signatures of these states arising near impurities that can be probed via scanning tunneling microscopy (STM) spectroscopy. For quantum Hall ferroelectrics, we demonstrate a direct relation between the dipole moment measured at impurity bound states and the ideal bulk dipole moment obtained from the modern theory of polarization. We also study the many-body problem with a single impurity via exact diagonalization and find that near strong impurities a nontrivial excitonic state can form with specific features that can be easily identified via STM spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Advancement of hybrid fluid-kinetic modeling for HEDP and ICF science

We report on the development progress of a hybrid fluid-kinetic code for simulating fluids and plasmas in a wide range of environments, such as laser–matter interactions, inertial confinement fusion, magnetic confinement fusion, and pulsed power. The suite of numerical tools under development utilizes heterogeneous computer architectures and leverages the benefits of particle–based simulation techniques. By working to combine the kinetic particle-in-cell (PIC) model with a particle-based fluid simulation technique, such as smoothed particle hydrodynamics, we are developing a flexible framework capable of accurately modeling complex flows within and between kinetic and fluid regimes. The TriForce code is under development as a C++ framework for parallel, 3D, particle-based, hybrid fluid-kinetic plasma simulations. The fluid half of TriForce will be based upon the meshless smoothed-particle-hydrodynamics (SPH) approach, well-suited for shear, mixing, and turbulence, whereas the kinetic half resembles a traditional particle-in-cell (PIC) code; other particle-based approaches to fluid modeling that do use a mesh are also possible to use and are under investigation. Maxwell’s electromagnetic field equations are solved either via explicit or implicit algorithms or approximated via resistive magnetohydrodynamics (MHD) using an Ohm’s law and resulting induction equation (extended MHD is under development). A primary goal of enabling direct comparisons, from the same code, between results from the variants of MHD and implicit electromagnetic solutions is to improve our fundamental understanding of systems with magnetic fields. The code is under development to recover results from both radiation-MHD and fully kinetic codes in those limits, and is continuing to be developed from other follow-on grants to operate in between where both descriptions may co-exist and interact. For certain applications, it is desired for a simulation to contain fluid ions and electrons as well as kinetic ions and electrons. Typically, it is too computationally intensive to model a full-scale ICF or HEDP experiment fully kinetically since many cycles are expended with very small time steps on modeling the fluid part of a material that is well treated by the fluid approximation. In this case, many traditional PIC particles can be replaced with a single fluid particle representing the thermal part of the distribution function, and there are fewer needed kinetic particles, which describe the non-thermal part and can be sub-cycled relative to the fluid particle advance. Furthermore, a pure fluid code may, depending on the problem, simply lack many physically important details that are beyond the scope of its reduced approximations and assumptions. In this report, we summarize the objectives achieved in the development of the collisional and kinetic half of the code, and the physics problems to which the code has been applied in the areas of advanced and innovative fusion concepts, pulsed power, and magneto-inertial fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Algorithms versus architectures for computational chemistry

The algorithms employed are computationally intensive and, as a result, increased performance (both algorithmic and architectural) is required to improve accuracy and to treat larger molecular systems. Several benchmark quantum chemistry codes are examined on a variety of architectures. While these codes are only a small portion of a typical quantum chemistry library, they illustrate many of the computationally intensive kernels and data manipulation requirements of some applications. Furthermore, understanding the performance of the existing algorithm on present and proposed supercomputers serves as a guide for future programs and algorithm development. The algorithms investigated are: (1) a sparse symmetric matrix vector product; (2) a four index integral transformation; and (3) the calculation of diatomic two electron Slater integrals. The vectorization strategies are examined for these algorithms for both the Cyber 205 and Cray XMP. In addition, multiprocessor implementations of the algorithms are looked at on the Cray XMP and on the MIT static data flow machine proposed by DENNIS.

Partridge, H.↗

Avionic Pictorial Tunnel-/Pathway-/Highway-In-The-Sky Workshops

In 1994-96, Langley Research Center held a series of interactive workshops investigating highway-in-the-sky concepts, which enable precise flight path control. These workshops brought together government and industry display designers and pilots to discuss and fly various concepts in an iterative manner. The primary emphasis of the first workshops was the utility and usability of pathways and the pros and cons of various features available. The final workshops were focused on the specific applications to the eXternal Visibility System (XVS) of the NASA High-speed Research Program, which was concerned with replacement of the forward windows in a High-speed Civil Transport with electronic displays and high resolution video cameras to enable a "No-Droop" configuration. The primary concerns in the XVS application were the prevention of display clutter and obscuration of hazards, as the camera image was the primary means of traffic separation in clear visibility conditions. These concerns were not so prominent in the first workshops, which assumed a Synthetic Vision System application in which hazard locations are known and obscuration is handled easily. The resulting consensus concept has been used since in simulation and flight test activities of many Government programs. and other concepts have been influenced by the workshop discussions.

Parrish, Russell V.↗

Electrical Devices and Circuits for Low Temperature Space Applications

The environmental temperature in many NASA missions, such as deep space probes and outer planetary exploration, is significantly below the range for which conventional commercial-off-the-shelf electronics is designed. Presently, spacecraft operating in the cold environment of such deep space missions carry a large number of radioisotope or other heating units in order to maintain the surrounding temperature of the on-board electronics at approximately 20 C. Electronic devices and circuits capable of operation at cryogenic temperatures will not only tolerate the harsh environment of deep space but also will reduce system size and weight by eliminating or reducing the heating units and their associate structures; thereby reducing system development cost as well as launch costs. In addition, power electronic circuits designed for operation at low temperatures are expected to result in more efficient systems than those at room temperature. This improvement results from better behavior in the electrical and thermal properties of some semiconductor and dielectric materials at low temperatures. An on-going research and development program on low temperature electronics at the NASA Glenn Research Center focuses on the development of efficient electrical systems and circuits capable of surviving and exploiting the advantages of low temperature environments. An overview of the program will be presented in this paper. A description of the low temperature test facilities along with selected data obtained from in-house component testing will also be discussed. On-going research activities that are being performed in collaboration with various organizations will also be presented.

Patterson, R. L.↗

Sensing Super-position: Visual Instrument Sensor Replacement

The coming decade of fast, cheap and miniaturized electronics and sensory devices opens new pathways for the development of sophisticated equipment to overcome limitations of the human senses. This project addresses the technical feasibility of augmenting human vision through Sensing Super-position using a Visual Instrument Sensory Organ Replacement (VISOR). The current implementation of the VISOR device translates visual and other passive or active sensory instruments into sounds, which become relevant when the visual resolution is insufficient for very difficult and particular sensing tasks. A successful Sensing Super-position meets many human and pilot vehicle system requirements. The system can be further developed into cheap, portable, and low power taking into account the limited capabilities of the human user as well as the typical characteristics of his dynamic environment. The system operates in real time, giving the desired information for the particular augmented sensing tasks. The Sensing Super-position device increases the image resolution perception and is obtained via an auditory representation as well as the visual representation. Auditory mapping is performed to distribute an image in time. The three-dimensional spatial brightness and multi-spectral maps of a sensed image are processed using real-time image processing techniques (e.g. histogram normalization) and transformed into a two-dimensional map of an audio signal as a function of frequency and time. This paper details the approach of developing Sensing Super-position systems as a way to augment the human vision system by exploiting the capabilities of the human hearing system as an additional neural input. The human hearing system is capable of learning to process and interpret extremely complicated and rapidly changing auditory patterns. The known capabilities of the human hearing system to learn and understand complicated auditory patterns provided the basic motivation for developing an image-to-sound mapping system.

Maluf, David A.↗

Developing Model Benchtop Systems for Microbial Experimental Evolution

Understanding how microbes impact an ecosystem has improved through advances of molecular and genetic tools, but creating complex systems that emulate natural biology goes beyond current technology. In fact, many chemical, biological, and metabolic pathways of even model organisms are still poorly characterized. Even then, standard laboratory techniques for testing microbial impact on environmental change can have many drawbacks; they are time-consuming, labor intensive, and are at risk of contamination. By having an automated process, many of these problems can be reduced or even eliminated. We are developing a benchtop system that can run for long periods of time without the need for human intervention, involve multiple environmental stressors at once, perform real-time adjustments of stressor exposure based on current state of the population, and minimize contamination risks. Our prototype device allows operators to generate an analogue of real world micro-scale ecosystems that can be used to model the effects of disruptive environmental change on microbial ecosystems. It comprises of electronics, mechatronics, and fluidics based systems to control, measure, and evaluate the before and after state of microbial cultures from exposure to environmental stressors. Currently, it uses four parallel growth chambers to perform tests on liquid cultures. To measure the population state, optical sensors (LED/photodiode) are used. Its primary selection pressure is UV-C radiation, a well-studied stressor known for its cell- and DNA-damaging effects and as a mutagen. Future work will involve improving the current growth chambers, as well as implementing additional sensors and environmental stressors into the system. Full integration of multiple culture testing will allow inter-culture comparisons. Besides the temperature and OD sensors, other types of sensors can be integrated such as conductivity, biomass, pH, and dissolved gasses such as CO and O. Additional environmental stressor systems like temperature (extreme heat or cold), metal toxicity, and other forms of radiation will increase the scale and testing range.

Developing↗

Disruptive Technologies and Their Putative Impacts Upon Society and Aerospace- Entering The Virtual Age

Developments in technology over the recent decades have been extraordinary. They include the IT, bio, nano, and now quantum and energetics technology arenas and their many combinatorial interactions and impacts. In the main, these are at the frontiers of the small and in a combinational, synergistic feeding frenzy with each other. They fall under the broad category of Disruptive Technologies and have greatly altered society. The outlook for the runout of these and other technology developments augers mid-term to later alterations in components of the human existence theorem, including the requirement to work for our living and our physiological makeup and longevity (Ref 1). The IT revolution began in the 1950s with the development of solid-state electronics. The biologics revolution began later in the 1960s and 1970s with DNA and genomics, and the nano revolution in the 1990s with self-forming nano systems and carbon nanotubes. Quantum technology is now developing rapidly, aided by enabling nano systems, and the energetics revolution is providing ever more efficient and less expensive renewable energy sources. The IT revolution has produced improvements of an astounding eleven orders of magnitude in computing speed since the late 1950s. As we shift from silicon to biological, optical, nano, molecular, and atomic computing, improvements of some 4 orders of magnitude are evidently possible from either optical or DNA computing [Refs 2and 3], then there are combinatorials. Then there is quantum computing, under development worldwide for an increasing number of applications and proffering phenomenal capabilities. The current fastest computers are considerably beyond human brain speed. Machine intelligence is developing well after decades of inadequate machine capability, now no longer the case, and a detour into expert systems. Researchers in machine intelligence are now pursuing deep learning approaches using neural nets, which are proving to be extremely useful. Some believe the frontier of potential human-level machine intelligence may be found in biomimetics and brain-emulation approaches. There is even a possibility of “emergence”—i.e., when the machine intelligence is complex enough that it “wakes up,” as when human intelligence emerged via evolution during the million-plus years of the hunter-gatherer epoch [ Ref 4]. In fact, some posit that human intelligence can be improved upon and is only a cul-de-sac of what is conceivable. The IT revolution has produced massive changes in human society and economics—from the Internet, enabling the rapid expansion of knowledgeability (and even what is knowable), to an increasingly pervasive trend of “tele-everything.” The extraordinary compilation, storage, and availability of truly massive amounts of information could, when combined with AI and under the mantra of “big data,” greatly improve many of our technical and commercial processes and their content including elucidating new heuristic governing laws.

Dennis M. Bushnell↗

Twisted symmetric trilayer graphene: Single-particle and many-body Hamiltonians and hidden nonlocal symmetries of trilayer moiré systems with and without displacement field

Here, we derive the Hamiltonian for trilayer moiré systems with the Coulomb interaction projected onto the bands near the charge neutrality point. Motivated by the latest experimental results, we focus on the twisted symmetric trilayer graphene (TSTG) with a mirror symmetry with respect to the middle layer. We provide a full symmetry analysis of the noninteracting Hamiltonian with a perpendicular displacement field coupling the band structure made otherwise of the twisted bilayer graphene (TBG) and the high-velocity Dirac fermions, and we identify a hidden nonlocal symmetry of the problem. In the presence of this displacement field, we construct an approximate single-particle model, akin to the tripod model for TBG, capturing the essence of noninteracting TSTG. We also derive more quantitative perturbation schemes for the low-energy physics of TSTG with displacement field, obtaining the corresponding eigenstates. This allows us to obtain the Coulomb interaction Hamiltonian projected in the active band TSTG wave functions and derive the full many-body Hamiltonian of the system. We also provide an efficient parametrization of the interacting Hamiltonian. Finally, we show that the discrete symmetries at the single-particle level promote the U (2) × U (2) spin-valley symmetry to enlarged symmetry groups of the interacting problem under different limits. The interacting part of the Hamiltonian exhibits a large U (4) × U (4) × U (4) × U (4) symmetry in the chiral limit. Moreover, by identifying a symmetry which we dub spatial many-body charge conjugation, we show that the physics of TSTG is symmetric around charge neutrality.

2-dimensional systems↗

Diffusion in liquid state and solidification of binary system (M-7)

Diffusion is one of the most fundamental physical phenomena. It relates to the manufacturing of almost all materials. Therefore, the precise knowledge of diffusivities of relevant materials is necessary for the optimization of these processes. On the other hand, such knowledge is indispensable to understanding the diffusion mechanism and structure of liquid metal in the field of physical metallurgy. Many diffusion experiments on solid metal were undertaken and a lot of data were accumulated. But on liquid metals there are few measurements because of experimental difficulties, such as thermal convection, induced by very slight temperature gradients in the specimen. Under microgravity conditions, the movement of liquid metal due to density differences and thermal convection must be suppressed markedly. Therefore, the transportation process will be controlled only by the diffusion of constituent atoms. These conditions offer the optimum environments for the diffusion experiment. The experiments are briefly described. Diffusion couples are prepared by attaching end to end two rods of different pure metals using hot press equipment. These couples are inserted into a graphite crucible and then doubly enclosed by two silica ampoules, respectively. The specimen is inserted into a tantalum cartridge, which is welded in a vacuum using an electron-beam apparatus. These cartridges are charged in the continuous heating furnace in space and held at a given temperature for a predetermined time and then solidified. The concentration distribution of elements in these specimens will be measured along the rod axis by means of an electron probe microanalyzer. The counterdiffusivity of the liquid metal binary system is determined on the basis of the compensated concentration distribution profile for thermal contraction.

Dan, T.↗

An Innovative Very Low Thermal Power Waste Heat Recovery System for Thermal Control of Deep Space Missions: A Thermal Flask in Space

Future missions to deep space, such as those to the outer planets (Jupiter, Saturn, etc.), which would rely on solar photovoltaic power, would need extremely large solar arrays to produce sufficient power for their operations because solar intensity is so low at those locations. Hence any additional power that would be needed for thermal control is extremely limited. Previous deep space missions like Juno (to Jupiter) required almost 200 W of electrical power for thermal control. This is prohibitively large for many future mission concepts, and leads to them needing very large solar arrays. For Saturn, where the solar flux is 1/4th the flux at Jupiter, this would entail an extremely large increase in the solar array size to accommodate the need for thermal survival power, which would be prohibitively large in size and mass, and very expensive. Hence there is a need to come up with a thermal architecture and design options that would not need such prohibitively large thermal power levels. One solution relies on harvesting the pre-existing waste heat from all the heat dissipation that would be present from operation of electronics, instruments, etc. for their own functionality. For example, for a generic Saturn mission, the various electronics would already dissipate about 200 Watts of heat that is simply "thrown away" to space from the spacecraft surfaces. The amount of thermal power that would be required for the safe thermal control of components within the spacecraft in deep space would be roughly of this magnitude for this class of spacecraft. So it makes good sense to try to harvest the waste heat and employ it to maintain the temperatures of all the components within their allowable limits. In particular, propulsion systems typically need to be kept above their freezing limits, around room temperature (15 C). Electronics needs to be kept typically above -40 C and batteries above -20 C. The next question becomes how to harvest this waste heat and direct it to the components that would need it for their survival. The proposed system utilizes a mechanically pumped, single phase fluid loop to pick up the waste heat from components attached to this loop's tubing and then directed to a thermal flask that has tubing attached to it. The thermal flask is cylindrically shaped and contains essentially all systems and components in the spacecraft within it, with the exception of the solar array, antennae, thrusters and various apertures of instruments, etc. to allow them an unobstructed view of space. Waste heat from the heat-dissipating components warms up the fluid and is carried to the flask surface and deposited on it via the fluid loop's flow. The entire flask is covered with Multi-Layered Insulation (MLI) to minimize the heat loss from the flask and allow it to remain warm. Hence the flask essentially creates a thermal environment within which the spacecraft components reside. The temperature of the components within the flask is then essentially the same as the temperature of the flask. This approach could be a very enabling feature for deep space missions. This paper describes the approach utilized for this thermal architecture, along with its mechanical and implementation aspects. Additionally it will compare and contrast this approach with the more conventional solutions utilized earlier.

Bhandari, Pradeep↗

Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called polaritons, are formed due to quantum light–matter interactions. With the experimental demonstrations of modifying chemical reactivities by forming polaritons under strong light–matter interactions, theorists have been encouraged to develop new methods to simulate these systems and discover new strategies to tune and control reactions. This review summarizes some of these exciting theoretical advances in polariton chemistry, in methods ranging from the fundamental framework to computational techniques and applications spanning from photochemistry to vibrational strong coupling. Even though the theory of quantum light–matter interactions goes back to the midtwentieth century, the gaps in the knowledge of molecular quantum electrodynamics (QED) have only recently been filled. We review recent advances made in resolving gauge ambiguities, the correct form of different QED Hamiltonians under different gauges, and their connections to various quantum optics models. Then, we review recently developed ab initio QED approaches which can accurately describe polariton states in a realistic molecule–cavity hybrid system. We then discuss applications using these method advancements. We review advancements in polariton photochemistry where the cavity is made resonant to electronic transitions to control molecular nonadiabatic excited state dynamics and enable new photochemical reactivities. When the cavity resonance is tuned to the molecular vibrations instead, ground-state chemical reaction modifications have been demonstrated experimentally, though its mechanistic principle remains unclear. We present some recent theoretical progress in resolving this mystery. Finally, we review the recent advances in understanding the collective coupling regime between light and matter, where many molecules can collectively couple to a single cavity mode or many cavity modes. We also lay out the current challenges in theory to explain the observed experimental results. We hope that this review will serve as a useful document for anyone who wants to become familiar with the context of polariton chemistry and molecular cavity QED and thus significantly benefit the entire community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗