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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Performance of MODIS Thermal Emissive Bands On-orbit Calibration Algorithms

Two nearly identical copies of the Moderate Resolution Imaging Spectroradiometer (MODIS) are currently operated on-board the Terra and Aqua spacecrafts, launched in December 1999 and May 2002, respectively. Together, they have produced an unprecedented amount of science data products, which are widely used for the studies of changes in the Earth's system of land, oceans, and atmosphere. MODIS is a cross-track scanning radiometer, which uses a two-sided scan mirror and collects data continuously over a wide scan angle range (+/-55 degree relative to the instrument nadir) each scan of 1.47 seconds. It has 36 spectral bands with wavelengths ranging from visible (VIS) to long-wave infrared (LWIR). MODIS bands 1-19 and 26 are the reflective solar bands (RSB) and bands 20-25 and 27-36 are the thermal emissive bands (TEB). MODIS was developed and designed with improvements made over its heritage sensors (such as AVHRR and Landsat) and, in particular, with more stringent calibration requirements. Because of this, MODIS was built with a set of state-of-art on-board calibrators (OBC), which include a solar diffuser (SD), a solar diffuser stability monitor (SDSM), a blackbody (BB), a spectroradiometric calibration assembly (SRCA), and a space view (SV) port. With the exception of view angle differences, MODIS OBC measurements and the Earth View (EV) observations are made via the same optical path. MODIS TEB have a total of 160 individual TEB detectors (10 per band), which are located on two cold focal plane assemblies (CFPA). For nominal on-orbit operation, the CFPA temperature is controlled at 83K via a passive radiative cooler. For the TEB, the calibration requirements at specified typical scene radiances are less than or equal to 1% with an exception for the fire detection (low gain) band. MODIS TEB on-orbit calibration is performed on a scan-by-scan basis using a quadratic calibration algorithm, and data collected from sensor responses to the onboard BB and SV. The BB serves as the thermal calibration source and the SV provides measurements for the sensor's background and offsets. MODIS on-board BB is a v-grooved plate with its temperature measured using 12 platinum resistive thermistors (PRT) uniformly embedded in the BB substrate. All the BB thermistors were characterized pre-launch with reference to the NIST temperature standards. Unlike typical BB operations in many heritage sensors, which have no temperature control capability, the MODIS on-board BB can be operated at any temperatures between instrument ambient (about 270K) and 315K and can also be varied continuously within this range. This feature has significantly enhanced the MODIS' capability of tracking and updating the TEB nonlinear calibration coefficients over its entire mission. Following a brief description of MODIS TEB on-orbit calibration methodologies and its onboard BB operational activities, this paper provides a comprehensive performance assessment of MODIS TEB quadratic calibration algorithm. It examines the scan-by-scan, orbit-by-orbit, daily, and seasonal variations of detector responses and associated impact due changes in the CFPA and instrument temperatures. Specifically, this paper will analyze the contribution by each individual thermal emissive source term (BB, scan cavity, and scan mirror), the impact on the Level 1 B data product quality due to pre-launch and on-orbit calibration uncertainties. A comparison of Terra and Aqua TEB on-orbit performance, lessons learned, and suggestions for future improvements will also be made.

Xiong, Xiaoxiong↗
DOE OSTI2021

Application of Artificial Neural Network Model for Optimized Control of Condenser Water Temperature Set-Point in a Chilled Water System

Here, in this study, real-time predictive control and optimization model based on an ANN (artificial neural network) was developed to evaluate the cooling energy saving performance of the optimized control of CndWT (condenser water temperature). For this purpose, the difference in TCEC (total cooling energy consumption) between the conventional control strategy when the CndWT produced by the cooling tower is fixed and the optimized control strategy when real-time control of the CndWT through the optimal ANN model is applied was compared and analyzed. For the modeling of the building to be simulated, the co-simulation of EnergyPlus and MATLAB was built through the middleware Building Controls Virtual Test Bed. For the prediction of TCEC, an ANN model was developed through MATLAB's neural network toolbox. The model accuracy of the ANN was examined through Cv(RMSE) index and as a result, Cv(RMSE) of the optimized ANN model turned out to be approximately 25 %. More importantly, the predictive control technique was able to save TCEC by 5.6 % compared to the conventional control method constantly fixing CndWT set-point to 30 °C. These results showed that the CndWT needs to be dynamically controlled using artificial intelligence technique such as ANN model and that significant energy savings were achievable compared to the conventional fixed control.

42 ENGINEERING↗
NASA NTRS1989

Torsional and biaxial (tension-torsion) fatigue damage mechanisms in Waspaloy at room temperature

Strain controlled torsional and biaxial (tension-torsion) low cycle fatigue behavior of Waspaloy was studied at room temperature as a function of heat treatment. Biaxial tests were conducted under proportional and nonproportional cyclic conditions. The deformation behavior under these different cyclic conditions was evaluated by slip trace analysis. For this, a Schmidt-type factor was defined for multiaxial loading conditions, and it was shown that when the slip deformation is predominant, nonproportional cycles are more damaging than proportional or pure axial or torsional cycles. This was attributed to the fact that under nonproportional cyclic conditions, deformation was through multiple slip, as opposed to single slip for other loading conditions, which gave rise to increased hardening. The total life for a given test condition was found to be independent of heat treatment. This was interpreted as being due to the differences in the cycles to initiation and propagation of cracks.

Jayaraman, N.↗
DOE OSTI2012

Recent Advances in High Pressure and Temperature Rheological Studies

Rheological studies at high pressure and temperature using in-situ X-ray diffraction and imaging have made significant progresses in recent years, thanks to a combination of recent developments in several areas: (1) advances in synchrotron X-ray techniques, (2) advances in deformation devices and the abilities to control pressure, temperature, stress, strain and strain rates, (3) theoretical and computational advances in stress determination based on powder and single crystal diffraction, (4) theoretical and computational advances in modeling of grain-level micromechanics based on elasto-plastic and visco-plastic self-consistent formulations. In this article, we briefly introduce the experimental techniques and theoretical background for in-situ high pressure, high temperature rheological studies, and then review recent studies of rheological properties of major mantle materials. Some currently encountered issues have prompted developments in single-crystal quasi-Laue diffraction for complete stress tensor determination and textural evolution of poly-phased composites based on X-ray microtomography. Future prospects are discussed.

58 GEOSCIENCES↗
DOE OSTI2024

Coatings for CSP Lifetime

The feasibility and performance of tower-technology-based concentrated solar power (CSP) is highly dependent on the efficiency of the energy transformation from sun to heat at the receiver. The higher the solar absorptivity of the receiver coating, the higher the efficiency of the plant as a whole. BrightSource Energy (BSE) has developed a series of High-Performance Coating (HPC) systems in order to achieve high absorptivity over the plant lifetime (25-35 years). This requires stable coatings that are easily applicable on the large receiver surface and will maintain their optical properties under intense solar flux and thousands of heating and cooling cycles in desert conditions. Different coating formulations are required according to the differing plant conditions: receiver materials, operating conditions (temperatures, daily cycles, etc.), and environmental conditions. BSE also developed a coating for the next generation of CSP receivers, such as those being under DOE’s CSP Gen3 program, which will be operated with high temperature heat transfer fluids at temperatures of up to 800°C, which is significantly hotter than the operating temperature of current systems. Once the coating is formulated, the next challenge is evaluating its lifetime properties. BSE has found several independent failure modes that impact HPC absorptivity degradation: • Decrease in HPC optical properties due to oxidation in the receiver tubes surface below the HPC; • HPC film deterioration due to cycling of temperatures and humidity due to daily operation startup and shutdown as well as changing ambient conditions; • Mechanical degradation due to erosion by sand and wind. Existing test methods examine various aspects independently, but do not provide a combined accelerated lifetime result. Creating such a combined test suite, with a way to interpret the results to predict the coating’s projected lifetime, was the ultimate goal of this project. The project was divided into three major workstreams: lab testing (individual failure mode tests and combined failure mode tests); developing a theoretical model for aging; and validation of the test apparatus via on-sun testing in near real-world conditions at CIEMAT-PSA. Developing a test apparatus that accurately controlled the temperature while also introducing the desired solar flux proved more challenging than expected. While in the end we did succeed in creating a test apparatus that can control temperature, solar flux, and humidity, the results did not appear to accelerate the lifetime of the samples as desired. We suspect that to properly accelerate the samples we must also subject the samples to increased amounts of oxygen. Similarly, while we successfully created a combined model that is publicly available, we were unable to validate it sufficiently to feel comfortable recommending it as a general guideline.

14 SOLAR ENERGY↗
DOE OSTI2018

Improving Flexibility and Performance of Staged Pressurized Oxy-Combustion

Staged pressurized oxy-combustion (SPOC) is a novel coal combustion power technology being developed by Washington University in St. Louis (WUSTL) that offers the potential to deliver low-carbon power at a reduced cost. Oxy-combustion plants operate by removing most of the nitrogen contained in air prior to combustion, thereby burning fuel in a near-pure oxygen stream instead of air. This combustion produces a flue gas containing primarily carbon dioxide (CO 2 ) and water vapor that allows relatively straightforward CO 2 capture. First-generation, atmospheric oxy-combustion technology relies on a flue gas recycle (FGR) diluent to reduce the peak temperatures achieved and the resulting high thermal radiation levels that would otherwise occur in a fuel/oxygen only flame. In contrast, by staging the combustion in several steps, SPOC reduces the peak temperatures of combustion without resorting to a high degree of FGR to control flame temperatures. The SPOC process operates by utilizing two or more pressurized boiler modules connected in series to produce fuel staging; hence, only a portion of the fuel is combusted in any given combustion module. Subsequently the thermal energy released at each stage can be captured and removed from the gases prior to subsequent stages, when more fuel is introduced. This allows the SPOC process to operate with minimal FGR, avoiding the associated efficiency losses and additional costs. While the staging controls the heat release profile in SPOC, operating in a pressurized condition yields a more compact system, reducing modular boiler size and delivering enhanced heat transfer. Additionally, operating at elevated pressures ensures that the latent heat of moisture available from moisture in the fuel and generated by the combustion of the hydrogen content in the fuel can be captured as useful thermal energy for steam turbine integration. This is possible due to elevated dew point from the high partial pressure of the moisture generated in this process, which allows substantial feedwater heater bypassing to be achieved. The inclusion of this thermal energy, normally lost to the atmosphere in traditional combustion processes or to cooling systems in atmospheric oxy-combustion, allows the resultant net efficiency of the SPOC system to be up to 6 percentage points greater than first-generation systems. To begin the process of developing this technology for full-scale application, the Electric Power Research Institute, Inc. teamed up with WUSTL, American Air Liquide, Doosan Babcock, and the U.S. Department of Energy to investigate a practical and workable boiler design concept that would minimize process risks where possible. The SPOC system offers unique process flexibility opportunities due to the staged nature of the combustion, making it a prime candidate for future primary energy delivery where the ability to operate at reduced load in an efficient manner and ramp rapidly will be valuable for balancing intermittent renewable electricity generation. The efficiency of traditional coal-fired power plants is lower at reduced loads below the steam temperature control range due to the challenges in balancing the heat pickup between radiative and convective superheater and reheater surface. Introducing additional heating surface for optimal extended controlled low load operation will likely lead to excessive attemperation at high loads, ultimately leading to a poorer overall cycle efficiency. The SPOC process can facilitate the adjustment of fuel firing rates between stages, targeting heat pickup to where it is most needed and potentially can shut down stages for low-load operation, facilitating an increased steam temperature control range on turndown. The boiler design concept assessment is being carried out to identify the maximum permissible compactness of the SPOC boiler heating surfaces. The assessment will determine the minimum overall height that will deliver appropriate tube operating metal temperatures at full load and achieve rated reheat steam temperatures at low operating loads, balanced against the needs of efficient coal combustion, and the potential resultant slagging and ash environments. The design parameters are being validated by combustion testing in the 100-kWth pressurized combustion test rig at WUSTL. Parameters being investigated include flame stability, fuel burnout, ash composition, radiative heat flux, and temperature profiles. These are being carried out for a range of inlet gas conditions and compositions and at multiple load conditions to investigate combustion stability at reduced load. The results of this testing inform the modeling of the large-scale system, that was sized at 550 MWe to allow direct comparison with the National Energy Technology Laboratory baseline cases for atmospheric oxy-combustion, air firing, and air firing with post-combustion capture.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS2011

Apparatus for Measuring Total Emissivity of Small, Low-Emissivity Samples

An apparatus was developed for measuring total emissivity of small, lightweight, low-emissivity samples at low temperatures. The entire apparatus fits inside a small laboratory cryostat. Sample installation and removal are relatively quick, allowing for faster testing. The small chamber surrounding the sample is lined with black-painted aluminum honeycomb, which simplifies data analysis. This results in the sample viewing a very high-emissivity surface on all sides, an effect which would normally require a much larger chamber volume. The sample and chamber temperatures are individually controlled using off-the-shelf PID (proportional integral derivative) controllers, allowing flexibility in the test conditions. The chamber can be controlled at a higher temperature than the sample, allowing a direct absorptivity measurement. The lightweight sample is suspended by its heater and thermometer leads from an isothermal bar external to the chamber. The wires run out of the chamber through small holes in its corners, and the wires do not contact the chamber itself. During a steady-state measurement, the thermometer and bar are individually controlled at the same temperature, so there is zero heat flow through the wires. Thus, all of sample-temperature-control heater power is radiated to the chamber. Double-aluminized Kapton (DAK) emissivity was studied down to 10 K, which was about 25 K colder than any previously reported measurements. This verified a minimum in the emissivity at about 35 K and a rise as the temperature dropped to lower values.

Tuttle, James↗
DOE OSTI2016

Improvement in J{sub c} performance below liquid nitrogen temperature for SmBa{sub 2}Cu{sub 3}O{sub y} superconducting films with BaHfO{sub 3} nano-rods controlled by low-temperature growth

For use in high-magnetic-field coil-based applications, the critical current density (J{sub c}) of REBa{sub 2}Cu{sub 3}O{sub y} (REBCO, where RE = rare earth) coated conductors must be isotropically improved, with respect to the direction of the magnetic field; these improvements must be realized at the operating conditions of these applications. In this study, improvement of the J{sub c} for various applied directions of magnetic field was achieved by controlling the morphology of the BaHfO{sub 3} (BHO) nano-rods in a SmBCO film. We fabricated the 3.0 vol. % BHO-doped SmBCO film at a low growth temperature of 720 °C, by using a seed layer technique (T{sub s} = 720 °C film). The low-temperature growth resulted in a morphological change in the BHO nano-rods. In fact, a high number density of (3.1 ± 0.1) × 10{sup 3} μm{sup −2} of small (diameter: 4 ± 1 nm), discontinuous nano-rods that grew in various directions, was obtained. In J{sub c} measurements, the J{sub c} of the T{sub s} = 720 °C film in all directions of the applied magnetic field was higher than that of the non-doped SmBCO film. The J{sub c}{sup min} (6.4 MA/cm{sup 2}) of the former was more than 6 times higher than that (1.0 MA/cm{sup 2}) of the latter at 40 K, under 3 T. The aforementioned results indicated that the discontinuous BHO nano-rods, which occurred with a high number density, exerted a 3D-like flux pinning at the measurement conditions considered. Moreover, at 4.2 K and under 17 T, a flux pinning force density of 1.6 TN/m{sup 3} was realized; this value was comparable to the highest value recorded, to date.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Hydrodynamic Effects on Modeling and Control of a High Temperature Active Magnetic Bearing Pump with a Canned Rotor

Embedding instrumentation and control Embedding instrumentation and control (I\&C) at the component level in nuclear power plants can improve component performance, lifetime, and resilience by optimizing operation, reducing the constraints on physical design, and providing on-board prognostics and diagnostics. However, the extreme environments that many nuclear power plant components operate in makes embedding instrumentation and control at the component level difficult. Successfully utilizing embedded I\&C requires developing a deep understanding of the system's dynamics and using that knowledge to overcome material and physical limitations imposed by the environment. In this paper, we will develop a coupled dynamic model of a high temperature (700 $^\circ$C) canned rotor pump that incorporates rotordynamics, hydrodynamics, and active magnetic bearing dynamics. Then we will compare two control design methods, one that uses a simplified decoupled model of the system and another that utilizes the full coupled system model. It will be seen that utilizing all the available knowledge of the system dynamics in the controller design yield an order of magnitude improvement in the magnitude of the magnetic bearing response to disturbances at the same level of control effort, a large reduction in the settling time of the system, and a smoother control action.

Melin, Alexander M↗
DOE OSTI2022

Implementation of a Model Predictive Control Strategy to Regulate Temperature Inside Plug-Flow Solar Reactor With Countercurrent Flow

Abstract Solar-driven thermochemical energy storage systems are proven to be promising energy carriers (solar fuels) to utilize solar energy by using reactive solid-state pellets. However, the production of solar fuel requires a quasi-steady-state process temperature, which represents the main challenge due to the transient nature of solar power. In this work, an adaptive model predictive controller (MPC) is presented to regulate the temperature inside a tubular solar reactor to produce solid-state solar fuel for long-term thermal storage systems. The solar reactor system consists of a vertical tube heated circumferentially over a segment of its length by concentrated solar power, and the reactive pellets (MgMn2O4) are fed from the top end and flow downwards through the heated tube. A countercurrent flowing gas supplied from the lower end interacts with flowing pellets to reduce it thermochemically at a temperature range of 1000—1500 °C. A low-order physical model was developed to simulate the dynamics of the solar reactor including the reaction kinetics, and the proposed model was validated numerically by using a 7-kW electric furnace. The numerical model then was utilized to design the MPC controller, where the control system consists of an MPC code linked to an adaptive system identification code that updates system parameters online to ensure system robustness against external disturbances (sudden change in the flow inside the reactor), model mismatches, and uncertainty. The MPC controller parameters are tuned to enhance the system performance with minimum steady-state error and overshoot. The controller is tested to track different temperature ranges between 500 °C and 1400 °C with different particles/gas mass flowrates and ramping temperature profiles. Results show that the MPC controller successfully regulated the reactor temperature within ± 1 °C of its setpoint and maintained robust performance with minimum input effort when subjected to sudden changes in the amount of flowing media and the presence of chemical reaction.

Engineering↗
DOE OSTI2017

Verification of Energy Reduction Effect through Control Optimization of Supply Air Temperature in VRF-OAP System

This paper developed an algorithm that controls the supply air temperature in the variable refrigerant flow (VRF), outdoor air processing unit (OAP) system, according to indoor and outdoor temperature and humidity, and verified the effects after applying the algorithm to real buildings. The VRF-OAP system refers to a heating, ventilation, and air conditioning (HVAC) system to complement a ventilation function, which is not provided in the VRF system. It is a system that supplies air indoors by heat treatment of outdoor air through the OAP, as a number of indoor units and OAPs are connected to the outdoor unit in the VRF system simultaneously. This paper conducted experiments with regard to changes in efficiency and the cooling capabilities of each unit and system according to supply air temperature in the OAP using a multicalorimeter. Based on these results, an algorithm that controlled the temperature of the supply air in the OAP was developed considering indoor and outdoor temperatures and humidity. The algorithm was applied in the test building to verify the effects of energy reduction and the effects on indoor temperature and humidity. Loads were then changed by adjusting the number of conditioned rooms to verify the effect of the algorithm according to various load conditions. In the field test results, the energy reduction effect was approximately 15–17% at a 100% load, and 4–20% at a 75% load. However, no significant effects were shown at a 50% load. The indoor temperature and humidity reached a comfortable level.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1988

Long-lived thermal control materials for high temperature and deep space applications

Considerable effort has been put into developing thermal-control materials for the Galileo space-craft. This paper presents a summary of these findings to date with emphasis on requirements, testing and results for the post-Challenger Galileo mission. Polyimide film (Kapton), due to its inherent stability in vacuum, UV, and radiation environments, combined with good mechanical properties over a large temperature range, has been the preferred substrate for spacecraft thermal control materials. Composite outer layers, using Kapton substrates, can be fabricated to meet the requirements of severe space environments. Included in the processing of Kapton-based composite outer layers can be the deposition of metal oxide, metallic and/or polymeric thin-film coatings to provide desirable electrical, optical and thermo-optical properties. In addition, reinforcement of Kapton substrates with fabrics and films is done to improve mechanical properties. Also these substrates can be filled with varying amounts of carbon to achieve particular electrical properties. The investigation and material development reported on here has led to improved thermo-gravimetric stability, surface conductivity, RF transparency, radiation and UV stability, flammability and handle-ability of outer layer thermal control materials for deep space and near-sun spacecraft. Designing, testing, and qualifying composite thermal-control film materials to meet the requirements of the Galileo spacecraft is the scope of this paper.

Whitt, Robin↗
NASA NTRS1992

Deformation mechanisms of NiAl cyclicly deformed near the brittle-to-ductile transformation temperature

One of the ongoing challenges of the aerospace industry is to develop more efficient turbine engines. Greater efficiency entails reduced specific strength and larger temperature gradients, the latter of which means higher operating temperatures and increased thermal conductivity. Continued development of nickel-based superalloys has provided steady increases in engine efficiency and the limits of superalloys have probably not been realized. However, other material systems are under intense investigation for possible use in high temperature engines. Ceramic, intermetallic, and various composite systems are being explored in an effort to exploit the much higher melting temperatures of these systems. NiAl is considered a potential alternative to conventional superalloys due to its excellent oxidation resistance, low density, and high melting temperature. The fact that NiAl is the most common coating for current superalloy turbine blades is a tribute to its oxidation resistance. Its density is one-third that of typical superalloys and in most temperature ranges its thermal conductivity is twice that of common superalloys. Despite these many advantages, NiAl requires more investigation before it is ready to be used in engines. Binary NiAl in general has poor high-temperature strength and low-temperature ductility. On-going research in alloy design continues to make improvements in the high-temperature strength of NiAl. The factors controlling low temperature ductility have been identified in the last few years. Small, but reproducible ductility can now be achieved at room temperature through careful control of chemical purity and processing. But the mechanisms controlling the transition from brittle to ductile behavior are not fully understood. Research in the area of fatigue deformation can aid the development of the NiAl system in two ways. Fatigue properties must be documented and optimized before NiAl can be applied to engineering systems. More importantly though, probing the deformation mechanisms operating in fatigue will lead to a better understanding of NiAl's unique characteristics. Low cycle fatigue properties have been reported on binary NiAl in the past year, yet those studies were limited to two temperature ranges: room temperature and near 1000 K. Eventually, fatigue property data will be needed for a wide range of temperatures and compositions. The intermediate temperature range near the brittle-to-ductile transition was chosen for this study to ascertain whether the sharp change occurring in monotonic behavior also occurs under cyclic conditions. An effort was made to characterize the dislocation structures which evolved during fatigue testing and comment on their role in the deformation process.

Antolovich, Stephen D.↗
NASA NTRS1977

Continuous plasma laser

The apparatus includes a housing for confining a gas at subatmospheric pressure and including a set of reflectors defining an optical cavity. At least one anode and cathode are positioned within the gas. First control means control the voltage applied to the anode and second control means independently control the temperature of the cathode. The pressure of the gas is controlled by a third control means. An intense monochromatic output is achieved by confining the gas in the housing at a controlled pre-determined reduced pressure, independently controlling the temperature of the electron emitting cathode and applying predetermined controlled low voltage to the anode.

Libby, W. F.↗
NASA NTRS1987

Control of matric water potential by temperature differential

A method for controlling relative humidity based on temperature differentials, rather than on salt solutions, is described. This method has the following advantages: (1) it does not exhibit the anomalous CO2 solution effects that we have found to occur with salt solutions; (2) humidity is continuously adjustable without sample removal; (3) circulation of the atmosphere results in short equilibration times.

NASA Discipline Exobiology↗
DOE OSTI2016

Single-molecule electronics: Cooling individual vibrational modes by the tunneling current

Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, to pump energy into particular vibrational modes to perform current-induced reactions, or to increase the resolution in inelastic electron tunneling spectroscopy by controlling the life-times of phonons in a molecule by suppressing absorption and external dissipation processes. Under bias the current and the molecule exchange energy, which typically results in heating of the molecule. However, the opposite process is also possible, where energy is extracted from the molecule by the tunneling current. Designing a molecular “heat sink” where a particular vibrational mode funnels heat out of the molecule and into the leads would be very desirable. It is even possible to imagine how the vibrational energy of the other vibrational modes could be funneled into the “cooling mode,” given the right molecular design. Previous efforts to understand heating and cooling mechanisms in single molecule junctions have primarily been concerned with small models, where it is unclear which molecular systems they correspond to. In this paper, our focus is on suppressing heating and obtaining current-induced cooling in certain vibrational modes. Strategies for cooling vibrational modes in single-molecule junctions are presented, together with atomistic calculations based on those strategies. Cooling and reduced heating are observed for two different cooling schemes in calculations of atomistic single-molecule junctions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗