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At least 505 records · Page 28

Influence of grain size on transition temperature of thermochromic VO{sub 2}

Vanadium(IV) oxide (VO{sub 2}) is a unique material that undergoes a reversible phase transformation around 68 °C. The material could potentially be used as an energy-efficient coating for windows since its reflectance in the infrared (IR) increases significantly more than in the visible region. Currently, VO{sub 2} is limited by a transition temperature (τ{sub c}) that is too high, luminous transmittance that is too low or both. In this study, a transition temperature of 45 °C is achieved for a reactively sputtered, undoped film by restricting grain size to approximately 30 nm. It is concluded that a higher density of grain boundaries (smaller grain size) provides a greater number of nucleating defects which in turn reduces τ{sub c}. Similarly, a higher density of grain boundaries may reduce the hysteresis width (difference between transition temperatures in heating and cooling). Also in this study, a new set of optical performance metrics is proposed in which the solar spectrum is divided into the ultraviolet (UV), visible and near infrared (NIR) regions. This approach is more closely aligned with the goals of limiting UV, allowing luminous and modulating NIR transmission. Using these metrics, the optical properties of the low-τ{sub c} sample were: 2% UV transmittance, 47% luminous transmittance, and 23% NIR modulation (decrease from 43 to 33%). This study demonstrates that the grain size of VO{sub 2} should be viewed as an important parameter for controlling the transition temperature of the material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Deep Geothermal Drilling Using Millimeter Wave Technology (Final Technical Research Report)

Conventional drilling methods are very mature, but still have difficulty drilling through very deep,very hard and hot rocks for geothermal, nuclear waste entombment and oil and gas applications.This project demonstrated the capabilities of utilizing only high energy beams to drill such rocks,commonly called ‘Direct Energy Drilling’, which has been the dream of industry since the invention of the laser in the 1960s. A new region of the electromagnetic spectrum, millimeter wave (MMW) wavelengths at 30-300 giga-hertz (GHz) frequency was used to accomplish this feat. To demonstrate MMW beam drilling capabilities a lab bench waveguide delivery, monitoring and instrument system was designed, built and tested around an existing (but non-optimal) 28 GHz frequency, 10 kilowatt (kW) gyrotron. Low waveguide efficiency, plasma generation and reflected power challenges were overcome. Real-time monitoring of the drilling process was also demonstrated. Then the technical capability of using only high power intense millimeter waves to melt (with some vaporization) four different rock types (granite, basalt, sandstone, limestone) was demonstrated through 36 bench tests. Full bore drilling up to 2” diameter (size limited by the available MMW power) was demonstrated through granite and basalt samples. The project also demonstrated that MMW beam transmission losses through high temperature (260°C, 500oF), high pressure (34.5 MPa, 5000 psi) nitrogen gas was below the error range of the meter long path length test equipment and instruments utilized. To refine those transmission losses closer, to allow extrapolation to very great distances, will require a new test cell design and higher sensitivity instruments. All rock samples subjected to high peak temperature by MMW beams developed fractures due to thermal stresses, although the peak temperature was thermodynamically limited by radiative losses. Therefore, this limited drill rate and rock strength data were not able to be determined experimentally. New methods to encapsulate larger rock specimens must be developed and higher power intensities are needed to overcome these limitations. It was demonstrated that rock properties are affected (weakening then strengthened) by exposure to high temperatures. Since only MMW beams can economically reach rock temperatures of over 1650°C, even exceeding 3000°C, that can cause low viscosity melts or vaporization of rocks. Future encapsulated rock specimens must provide sufficiently large sizes of thermally impacted material to provide for the necessary rock strength, permeability and other analyzes required. Multiple MMW field systems, tools and methods for drilling and lining were identified. It was concluded that forcing a managed over-pressure drilling operation would overcome water influx and hot rock particulates handling problems, while simultaneously forming the conditions necessary to create a strong, sealing rock melt liner. Materials that contact hot rock surfaces were identified for further study. High power windows and gases for beam transmission under high pressures are critical paths for some of the MMW drilling systems. Straightness/ alignment can be a great benefit or a problem, especially if a MMW beam is transmitted through an existing, conventionally drilled bore.

04 OIL SHALES AND TAR SANDS↗

Summer Student Internship: Experimental and modeling experiences

My internship at the Los Alamos National Laboratory has been an information-filled summer. Loren Espada-Castillo brought me into her project and helped mentor and guide me through the summer. The project that I was brought into was the process of shooting materials with electrons. The electron beam we used conducts a series of shots in which electrons are generated and then fired towards a target, the sample holder. The sample holder holds either a single sample or three samples. The sample holder also consists of multiple calorimeters surrounding the sample/s. The goal is to shoot certain materials and then analyze how they react to the exposure of the electrons. We shot titanium, which was meant to serve as a containment vessel window.

36 MATERIALS SCIENCE↗

Selective CO 2 Reduction on 2D Mesoporous Bi Nanosheets

The conversion of CO 2 to value-added products using electrical or solar energy represents an attractive means for the capture and utilization of atmospheric CO 2 . Formate is a popular product from CO 2 reduction, but its reaction selectivity is usually unsatisfactory. Tin-based materials have attracted the most attention for formate production at present. Unfortunately, most of them only exhibit moderate selectivity in a narrow and highly cathodic potential window. In this study, it is demonstrated that traditionally under-explored bismuth has a much greater potential for formate production than tin or other materials. Mesoporous bismuth nanosheets are prepared here by the cathodic transformation of atomic-thick bismuth oxycarbonate nanosheets. They enable the selective CO 2 reduction to formate with large current density, excellent Faradaic efficiency (approximate to 100%) over a broad potential window and great operation stability. Moreover, Bi nanosheets are integrated with an oxygen evolution reaction electrocatalyst in full cells, and achieve efficient and robust solar conversion of CO 2 /H 2 O to formate/O 2 .

36 MATERIALS SCIENCE↗

Roll-to-Roll Advanced Materials Manufacturing DOE Laboratory Collaboration (FY2020 Final Report)

R2R processing is used to manufacture a wide range of products for various applications which span many industrial business sectors. The overall R2R methodology has been in use for decades and this continuous technique traditionally involves deposition of material(s) onto moving webs, carriers or other continuous belt-fed or conveyor-based processes that enable successive steps to build a final version which serves to support the deposited materials. Established methods that typify R2R processing include tape casting, silk-screen printing, reel-to-reel vacuum deposition/coating, and R2R lithography. Products supported by R2R manufacturing include micro-electronics, electro-chromic window films, PVs, fuel cells for energy conversion, battery electrodes for energy storage, and barrier and membrane materials. Due to innovation in materials and process equipment, high-quality yet very low-cost multilayer technologies have the potential to be manufactured on a very cost-competitive basis. To move energy-related products from high-cost niche applications to the commercial sector, the means must be available to enable manufacture of these products in a cost-competitive manner that is affordable. Fortunately, products such as fuel cells, thin- and mid-film PVs, batteries, electrochromic and piezoelectric films, water separation membranes, and other energy saving technologies readily lend themselves to manufacture using R2R approaches. However, more early-stage research is needed to solve the challenge of linking the materials (particles, polymers, solvents, additives) used in ink and slurry formulations and the coating and drying processes to the ultimate performance of the final R2R product, especially for a process that uses multiple layers of deposition to achieve the end product. To solve the problems associated with these challenges, the R2R Collaboration is executing a research program with outcomes that will ultimately link modeling, processing, metrology and defect detection tools, thereby directly relating the properties of constituent particles and processing conditions to the performance of final devices. This collaborative approach was designed to foster identification and development of materials and processes related to R2R for clean-energy materials development. Using computational and experimental capabilities by acknowledged subject matter experts within the supported National Laboratory system, this project leverages the capabilities and expertise at each of five National Laboratories to further the development of multilayer technologies that will enable high-volume, cost-competitive platforms. A typical R2R process has three steps: (1) mixing of particles and various constituents in a slurry, (2) coating of the ink/slurry mixture on a substrate, and (3) drying/curing and processing of the coating. Final performance of devices made via R2R processes is dependent on the active materials (e.g., electrochemical particles in battery or fuel cell electrodes) and the device structure that stems from the governing component interactions within the various steps. However, a fundamental understanding of the underlying mechanisms and phenomena is still lacking, which is why industrial-scale R2R process development and manufacturing is still largely empirical in nature. The FY 2019 through FY 2021 program addresses aspects of the following two targets from the AMO Multi-Year Program Plan: (1) Target 8.1 Develop technologies to reduce the cost per manufactured throughput of continuous R2R manufacturing processes. (A) Increasing throughput of R2R processes by 5 times for batteries (to 50 square feet per minute (50 ft 2 /min)) and capacitors and 10 times for printed electronics and the manufacture of other substrates and MEs used in support of these products. (B) Developing resolution capabilities to enable registration and alignment that will detect, align, and co-deposit multiple layers of coatings and print < 1-micron (1 µm) features using continuous process scalable for commercial production. (C) Developing scalable and reliable R2R processes for solution deposition of ultra-thin (<10 nm) films for active and passive materials. (D) Develop in-line multilayer coating technology on thin films with yields greater than 95%. (2) Target 8.2 Develop in-line instrumentation tools that will evaluate the quality of single and multilayer materials in-process. (A) Developing in-line QC technologies and methodologies for real-time identification of defects and expected product properties “in-use/application” during continuous processing at all size-scales with a focus on the “micro” and “nano” scale traces, lines, and devices, i.e., <1 μm at 300 ft./min for R2R processing in air and <10 nm at 20 ft./min for vacuum (B) Developing technologies to increase the measurement frequency of surface rheology without significant cost increases with a goal of a 10-nanometer in-line profilometry at a production rate of 100,000 square millimeters per minute (100,000 mm 2 /min).

42 ENGINEERING↗

A materials-informatics based study of solid electrolytes and protective coatings for Li batteries

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes and protective coatings simultaneously possessing high ionic conductivity and wide electrochemical stability has proven to be a challenge. Here, we present a data-driven approach to explore the Li compound space for promising solid electrolytes and coatings. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds by computing Li+ migration barriers using bond-valence-based pair potentials, and stability windows using density functional theory energies. Using this database, we implement machine learning models that can accurately predict migration barriers and electrochemical stability windows for any new Li compound. Through feature engineering, we ensure that our models are both accurate and interpretable. We perform feature importance analysis on our models to highlight materials properties that can be tuned for future design of coatings/electrolytes. Our database and informatics approach provide a valuable tool for the rapid discovery of new solid-state battery chemistries.

Solid state batteries↗

Refractive index of lithium fluoride at high dynamic stresses

Alkali halides are prototypical ionic solids whose refractive index is a fundamental property related to their lattice structure and ionic polarizability. In particular, lithium fluoride (LiF) has the largest band gap of any known transparent material and maintains transparency at high pressures, making it well suited for use as an optical window in dynamic compression experiments. While empirical fits to the measured density dependence of the refractive index have been provided, a model that is valid over the entire pressure range of experiments and based on a polarization-based theoretical description is lacking. We present a refractive index model for dynamically compressed LiF based on the Lorentz-Lorenz equation, where the molecular polarizability is determined using a single oscillator model with a strain polarizability parameter Λ=0.73. Here, we show that our modeling approach provides an excellent match to the LiF refractive index data for both shock and ramp compression experiments to 900 GPa (density compression greater than threefold). Additionally, updated fits are provided to determine the refractive index correction for LiF windows used in dynamic compression experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Walls and windows in the molecular Milky Way

Estimates are presented of the distances to the nearest CO-emitting material along 31,500 lines of sight in the northern Milky Way on the basis of an analysis of the Massachusetts-Stony Brook survey of CO emission in the first Galactic quadrant. For Galactic latitudes between -1.0 and +1.0 deg and longitudes between 8 and 53 deg, significant CO emission (greater than 1.2 K) and associated optical obscuration (greater than 1.2 mag) is found within 2 kpc of the sun in 21,149 of the lines of sight. Much of this local emission is associated with the Aquila Rift system of dark clouds. Another 8,179 lines of sight are obscured at distances between 2 and 10 kpc. The remaining 2,172 lines of sight are completely free of significant CO emission. These cloud-free positions can be used as 'offs' for radio or IR spectroscopy of molecular sources in the Galactic plane, as 'ons' for studies of the diffuse intercloud medium itself, and as possible 'windows', through which distant disk and bulge stars might be optically observable.

Waller, William H.↗

Giant negative thermal expansion in Fe-Mn-Ga magnetic shape memory alloys

Fe-Mn-Ga magnetic shape memory alloys can undergo martensitic transformation (MT) from a paramagnetic cubic phase to a ferromagnetic tetragonal phase. The MT is accompanied by a large volume change; yet, these alloys have never been explored for technological applications as negative thermal expansion (NTE) materials. Here, by careful chemical modification, tunable NTE characteristics including wide operating temperature windows (Delta T) and large negative linear coefficients of thermal expansion (alpha(l)) have been achieved in Fe 44-x Mn 28 Ga 28+x (x = 1, 2, and 2.5) alloys. Typically, a giant NTE Delta T of 81 K and alpha(l =) -50.2 x 10(-6) K-1 were realized in the Fe43Mn28Ga29 alloy upon cooling from 290 K. The relationships between the NTE features, the MT, and the substitution of Ga for Fe were discussed. Furthermore, the Fe-Mn-Ga alloys possess excellent mechanical properties, high electrical conductivity and high thermal conductivity. With these advantages, the Fe-Mn-Ga magnetic shape memory alloys show promising prospects for use as advanced NTE materials.

36 MATERIALS SCIENCE↗

Charge trapping of Ge-nanocrystals embedded in TaZrO{sub x} dielectric films

Ge-nanocrystals (NCs) were synthesized in amorphous TaZrO{sub x} by thermal annealing of co-sputtered Ge-TaZrO{sub x} layers. Formation of spherical shaped Ge-NCs with small variation of size, areal density, and depth distribution was confirmed by high-resolution transmission electron microscopy. The charge storage characteristics of the Ge-NCs were investigated by capacitance-voltage and constant-capacity measurements using metal-insulator-semiconductor structures. Samples with Ge-NCs exhibit a maximum memory window of 5 V by sweeping the bias voltage from −7 V to 7 V and back. Below this maximum, the width of the memory window can be controlled by the bias voltage. The fitted slope of the memory window versus bias voltage characteristics is very close to 1 for samples with one layer Ge-NCs. A second layer Ge-NCs does not result in a second flat stair in the memory window characteristics. Constant-capacity measurements indicate charge storage in trapping centers at the interfaces between the Ge-NCs and the surrounding materials (amorphous matrix/tunneling oxide). Charge loss occurs by thermal detrapping and subsequent band-to-band tunneling. Reference samples without Ge-NCs do not show any memory window.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

First-Row Transition Metal Antimonates for the Oxygen Reduction Reaction

The development of inexpensive and abundant catalysts with high activity, selectivity, and stability for the oxygen reduction reaction (ORR) is imperative for the widespread implementation of fuel cell devices. Herein, we present a combined theoretical–experimental approach to discover and design first-row transition metal antimonates as excellent electrocatalytic materials for the ORR. Theoretically, we identify first-row transition metal antimonates–MSb 2 O 6 , where M = Mn, Fe, Co, and Ni–as nonprecious metal catalysts with good oxygen binding energetics, conductivity, thermodynamic phase stability, and aqueous stability. Among the considered antimonates, MnSb 2 O 6 shows the highest theoretical ORR activity based on the 4e – ORR kinetic volcano. Experimentally, nanoparticulate transition metal antimonate catalysts are found to have a minimum of a 2.5-fold enhancement in intrinsic mass activity (on transition metal mass basis) relative to the corresponding transition metal oxide at 0.7 V vs RHE in 0.1 M KOH. MnSb 2 O 6 is the most active catalyst under these conditions, with a 3.5-fold enhancement on a per Mn mass activity basis and 25-fold enhancement on a surface area basis over its antimony-free counterpart. Electrocatalytic and material stability are demonstrated over a 5 h chronopotentiometry experiment in the stability window identified by theoretical Pourbaix analysis. Furthermore, this study further highlights the stable and electrically conductive antimonate structure as a framework to tune the activity and selectivity of nonprecious metal oxide active sites for ORR catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electric-field control of tri-state phase transformation with a selective dual-ion switch

Materials can be transformed from one crystalline phase to another by using an electric field to control ion transfer, in a process that can be harnessed in applications such as batteries, smart windows and fuel cells. Increasing the number of transferrable ion species and of accessible crystalline phases could in principle greatly enrich material functionality. However, studies have so far focused mainly on the evolution and control of single ionic species (for example, oxygen, hydrogen or lithium ions). In this paper, we describe the reversible and non-volatile electric-field control of dual-ion (oxygen and hydrogen) phase transformations, with associated electrochromic and magnetoelectric effects. We show that controlling the insertion and extraction of oxygen and hydrogen ions independently of each other can direct reversible phase transformations among three different material phases: the perovskite SrCoO 3-δ , the brownmillerite SrCoO 2.5 , and a hitherto-unexplored phase, HSrCoO 2.5 . By analysing the distinct optical absorption properties of these phases, we demonstrate selective manipulation of spectral transparency in the visible-light and infrared regions, revealing a dual-band electrochromic effect that could see application in smart windows. Moreover, the starkly different magnetic and electric properties of the three phases—HSrCoO 2.5 is a weakly ferromagnetic insulator, SrCoO 3-δ is a ferromagnetic metal, and SrCoO 2.5 is an antiferromagnetic insulator—enable an unusual form of magnetoelectric coupling, allowing electric-field control of three different magnetic ground states. Finally, these findings open up opportunities for the electric-field control of multistate phase transformations with rich functionalities.

36 MATERIALS SCIENCE↗

Comparing Synthetic Routes and Thermal Characteristics of Alternate APO Variants

Low density, high-strength, temperature-resistant foams see widespread application in the aerospace and weapons fields due to their excellent qualities as structural supports. In these demanding environments, the most common formulation is a three-phase syntactic foam containing APOCure-601, BMI, and carbon or glass microballoons. Of these, APOCure-601 and BMI form the polymer resin amino-poly(oxadiazole) bismaleimide (APO-BMI), also known as Legacy APO or S-1,2-Ethyl-APO. In manufacturing this foam, the selective laser sintering (SLS) additive manufacturing technique is quickly gaining prominence, over more traditional injection molding since SLS allows for 3D printing of materials and reduces overall cost and waste production. That said, SLS also requires a narrow window between the melt and cure temperatures for a successful print. SLS printing of APO-BMI is therefore difficult since the compound possesses a broad window between its melting and curing temperatures, and also requires several post-cure steps or complete polymerization. This work explores synthesis optimization and thermal characteristics for variant Apo-BMI structures by observing the effect that alternative heteroatoms in the APO linkages, geometries 0f the BMI groups, and bridge structure identities impart on the resultant material. Synthetic methods for these altered structures were established in batch, with some others further converted to continuous flow chemistry, a method that produces materials in a continuous stream and is highly reproducible and readily scaled. Additionally, each structural change significantly altered the melt and cure properties for each APO variant, which is advantageous for SLS manufacturing.

60 APPLIED LIFE SCIENCES↗

High-Power Targetry R&D for Next-Generation Accelerator Target Facilities

Beam-intercepting devices such as beam windows and particle-production targets are critical components of accelerator target facilities for High Energy Physics (HEP) experiments. The high-power, pulsed structure of the particle beams used for these experiments leads to thermal shock and high-cycle fatigue in addition to radiation damage resulting from the accumulated particle fluence. This can lead to degradation of the target system s mechanical and thermal properties; considerably reducing their lifetimes and presenting substantial challenges to reliable operation of multi-MW class facilities. Recently several major accelerator facilities have been forced to operate at reduced power levels due to target survivability concerns. Furthermore, at Fermilab it is planned to increase the neutrino production beam power up to 2.4 MW in coming years. Therefore, timely R&D on the irradiated behavior of target system materials is critical to efficient operation of accelerator facilities and full utilization of recent accelerator power upgrades for HEP research. This talk will begin with an overview of high-power targetry, and the significant challenges presented by beam power increases expected for future HEP experiments. We will then cover several past materials irradiation studies that have been completed by the High-Power Targetry R&D group at Fermilab and its collaborators on common accelerator and target materials such as graphite, beryllium, titanium, and tungsten. Finally, we will conclude with a discussion of two novel materials investigations under way within the group; high-entropy alloys for beam window applications, and electrospun nanofibers to serve as particle production targets.

43 PARTICLE ACCELERATORS↗

Recent Developments and Trends in Redox Flow Batteries

Stationary energy storage systems are needed to facilitate the widespread integration of intermittent renewable electricity generators, such as solar photovoltaic and wind turbines, and to improve the energy efficiency of the electrical grid. While no single technology can meet all needs, redox flow batteries (RFBs) have shown a favorable balance of cost, safety, and performance for many high-value applications. RFBs are rechargeable electrochemical devices that utilize the reversible redox reactions of two soluble electroactive species for energy storage. A compelling feature of the RFB configuration is the independent scaling of power and energy which enables cost-effective implementation of electrochemical couples with low energy density. Aqueous RFBs have been the subject of the vast majority of research efforts to date, which have yielded industry-level demonstrations. By comparison, non-aqueous RFBs are still in their infancy but have the potential for high energy density due to the extended stability window of non-aqueous electrolytes and the enriched selection of redox materials due to the broad variety of organic solvents. This chapter aims to introduce emerging, potentially transformative, strategies for enhancing RFB technologies through molecular design, electrolyte development, and cell-level engineering. Detailed discussions focus on recent developments in redox active materials (inorganic – aqueous, organic – aqueous, inorganic – non-aqueous, and organic – non-aqueous) and in system design (interdigitated flow fields, semi-solid flow cells, and hybrid flow cells). Future research directions and key challenges for RFB technologies are also highlighted.

Su, Liang↗

In Vivo Imaging Reveals Significant Tumor Vascular Dysfunction and Increased Tumor Hypoxia-Inducible Factor-1α Expression Induced by High Single-Dose Irradiation in a Pancreatic Tumor Model

Purpose: To investigate the effect of high-dose irradiation on pancreatic tumor vasculature and microenvironment using in vivo imaging techniques. Methods and Materials: A BxPC3 pancreatic tumor xenograft was established in a dorsal skinfold window chamber model and a subcutaneous hind leg model. Tumors were irradiated with a single dose of 4, 12, or 24 Gy. The dorsal skinfold window chamber model was used to assess tumor response, vascular function and permeability, platelet and leukocyte adhesion to the vascular endothelium, and tumor hypoxia for up to 14 days after 24-Gy irradiation. The hind leg model was used to monitor tumor size, hypoxia, and vascularity for up to 65 days after 24-Gy irradiation. Tumors were assessed histologically to validate in vivo observations. Results: In vivo fluorescence imaging revealed temporary vascular dysfunction in tumors irradiated with a single dose of 4 to 24 Gy, but most significantly with a single dose of 24 Gy. Vascular functional recovery was observed by 14 days after irradiation in a dose-dependent manner. Furthermore, irradiation with 24 Gy caused platelet and leukocyte adhesion to the vascular endothelium within hours to days after irradiation. Vascular permeability was significantly higher in irradiated tumors compared with nonirradiated controls 14 days after irradiation. This observation corresponded with increased expression of hypoxia-inducible factor-1α in irradiated tumors. In the hind leg model, irradiation with a single dose of 24 Gy led to tumor growth delay, followed by tumor regrowth. Conclusions: Irradiation of the BxPC3 tumors with a single dose of 24 Gy caused transient vascular dysfunction and increased expression of hypoxia-inducible factor-1α. Such biological changes may impact tumor response to high single-dose and hypofractionated irradiation, and further investigations are needed to better understand the clinical outcomes of stereotactic body radiation therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Reversible Methanolation of Metal Halide Perovskites

The low formation energies inherent in metal halide perovskites enable the structure to be easily broken and remade with little energy input. In this work, we leverage low formation energy to demonstrate 0D/3D structural transformations induced by reversible intercalation of methanol to yield dramatic control of visible light absorption. We identify a methanolated structure that features sheets of 0D isolated [PbI6]4- octahedra separated by MAI and methanol. Methanol and water reversibly displace each other in the 0D complex by controlling the chemical potential of the system via Le Chatelier's principle. The weaker H-bonding of methanol compared to water effectively reduces the complex dissociation temperature from 70 to 50 degrees C, rendering the methanol complex more desirable for an array of next-generation applications spanning low-power-consumption memory to switchable photovoltaics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Simulation of Defect Reduction in Block Copolymer Thin Films by Solvent Annealing

Solvent annealing provides an effective means to control the self-assembly of block copolymer (BCP) thin films. Multiple effects, including swelling, shrinkage, and morphological transitions, act in concert to yield ordered or disordered structures. The current understanding of these processes is limited; by relying on a theoretically informed coarse-grained model of block copolymers, a conceptual framework is presented that permits prediction and rationalization of experimentally observed behaviors. Through proper selection of several process conditions, it is shown that a narrow window of solvent pressures exists over which one can direct a BCP material to form well-ordered, defect-free structures.

Hur, Su-Mi↗