La nanociencia y las tecnologías energéticas del futuro

La ciencia (la nanociencia) y las
tecnologías energéticas del futuro

Félix Yndurain
Departamento de Física de la Materia Condensada
Universidad Autónoma de Madrid
(e-mail: felix.yndurain@uam.es)

nanoGUNE 30 enero 2014

INDICE
•  Introducción: Consumo de energía. El medio ambiente
•  La investigación Básica en el DOE: 5 “grandes retos” científicos
•  Necesidades y ejemplos de investigación básica en:
  Energía nuclear
  Fotovoltaica
  Iluminación
  Hidrógeno
  Eficiencia
  Almacenamiento
  “Nuevos” combustibles fósiles
•  Conclusiones
IUPAP Energy Report (2003). http://www.iupap.org/
US Department of Energy. http://www.energy.gov/

CONSUMO DE ENERGEIA


Consumo mundial de Energía


Consumo mundial de Energía

Fuente: BP Statistical Review of World Energy June 2013


Lo arriesgado de hacer predicciones:
El pico de Hubbert (1956)


Reservas probadas de petróleo en 1992, 2002 y 2012



Reservas probadas de gas en 1992, 2002 y 2012



Consumo de energía primaria en algunos países en el año 2012 (Mtoe)
Petróleo

Gas natural

Carbón

Nuclear

Hidráulica

Renovable

USA

819,9

722,1

437,8

183,2

86,0

China

483,7

143,8

1873,3

22,0

Japón

218,2

116,7

124,4

63,8

31,4

111,5

Francia
Reino Unido

España
Alemania

Brasil

Per
capita
(toe)

PIB(k$)
per
capita

50,7

8,07

43,68

194,8

31,9

0,78

7,78

4,1*

18,3

8,2

3,99

33,07

19,3

13,9

4,6

14,9

3,27

25,47

75,2

79.2

22,5

4,8

26,0

3,99

31,93

80,9

42,5

11,4

96,3

13,2

5,4

4,36

31,16

68,5

78,3

39,1

15,9

1,2

8,4

3,69

31,94

125,6

29,2

13,5

3,6

94,5

11,2

1,03

8,77



Consumo de energía por habitante frente producto
interior bruto para diversos países

Fuente: http://www.nationmaster.com y United Nations Development Programme
y elaboración propia

Consumo de energía por habitante frente a
“índice de desarrollo humano”

Fuente: http://www.nationmaster.com y United Nations Development
Programme y elaboración propia

El ejemplo de California
Consumo de electricidad y PIB en Estados Unidos y California


Modern CO2 Concentrations are Increasing

The current concentration is the highest in 800,000 years, as determined by ice core data

Atmospheric CO2 at Mauna Loa Observatory

Concentration
now ~388 ppm

Concentration
prior to 1800
was ~280 ppm


Greenland Ice Mass Loss – 2002 to 2009
Increasing rates of ice mass loss from the Greenland and Antarctic ice sheets
revealed by GRACE (Gravity Recovery and Climate Experiment) satellite:

  In Greenland, the
mass loss increased
from 137 Gt/yr in
2002–2003 to 286
Gt/yr in 2007–2009
  In Antarctica, the
mass loss increased
from 104 Gt/yr in
2002–2006 to 246
Gt/yr in 2006–2009
I. Velicogna, GEOPHYSICAL RESEARCH LETTERS, VOL. 36, L19503, 2009


Efectos de las actividades humanas en el
Medio Ambiente
población

CO2

emisiones

DT


Problemas relacionados con la energía:

Distribución geográfica no uniforme de los
recursos fósiles (finitos)
Deterioro del medio ambiente


Necesidad de Nuevas Tecnologías


Las Tecnologías Energéticas no son Nuevas: están
en evolución gracias al I+D
Máquina de vapor: J. Watt (1769)
Motor eléctrico: W. Siemens (1866)
Plantas de carbón para producir electricidad: H. Stinnes (1898)
Motor de explosión: C. & B. Benz (1888) {H. Ford (1903)}
Pila de combustible: W. R. Grove (1843)
Lámpara incandescente: T. Edison (1879)
Batería eléctrica: A. Volta (1798)
Efecto fotovoltaico: Becquerel (1839)
Turbinas para aviación: 1930-40
Nuclear: 1940 aprox.
Molino de viento ?

Investigación en Energía:
de la Investigación Básica a la Tecnología
Investigación Aplicada

Investigación Básica
•  Investigación básica para
generar conocimiento
sobre materiales y
sistemas aunque puedan
parecer solo

marginalmente
relacionados con los

problemas actuales de las
tecnologías energéticas.

•  Investigación con el
objetivo de cumplir hitos
tecnológicos y ensayos
con énfasis en el
desarrollo , rendimiento,
reducción de coste,
durabilidad de materiales
y componentes y en
procesos eficientes

Maduración y Penetración
Tecnológica
•  Investigación de escala
•  Plantas de
demostración
•  Reducción de costes
•  Prototipos
•  Soporte a la
comercialización

Evidentemente no es tan simple…


La investigación promovida por el
Deparment of Energy (DOE) en
Estados Unidos


Energy Imperatives (DOE)
 

Increase energy efficiency

 

Increase use of renewables

 

Adaptation of Carbon Capture and Sequestration

 

Increase nuclear power

 

Improve climate prediction


Benefits of BES
(Basic Energy Sciences )
“The Department of Energy BES program also plays a
major role in enabling the nanoscale revolution. The
importance of nanoscience to future energy
technologies is clearly reflected by the fact that all of
the elementary steps of energy conversion (e.g.,
charge transfer, molecular rearrangement, and
chemical reactions) take place on the nanoscale. The
development of new nanoscale materials, as well as
the methods to characterize, manipulate, and
assemble them, create an entirely new paradigm for
developing new and revolutionary energy
technologies.”

Status of FY 2014 Appropriations (DOE)


History of BES Request vs. Appropriation

24

Office of Science Programs
FY 2010 Appropriation

Advanced Scientific
Computing Research
(ASCR)

Science Lab Infrastructure (SLI)
Workforce Development for
Teachers and Scientists (WDTS)

FY 2010 Funding
Total = $4,903,710K
ASCR, $394,000K
BES, $1,636,500K
BER, $604,182K
FES, $426,000K

ASCR

Nuclear Physics (NP)

HEP, $810,483K
NP, $535,000K

NP

WDTS, $20,678K
SLI, $127,600K

High Energy Physics (HEP)

BES

HEP

S&S, $83,000K
SCPD, $189,377K

Basic Energy Sciences (BES)

FES
BER
Fusion Energy Sciences (FES)

Biological and Environmental
Research (BER)
BESAC November 5, 2009


The Basic Energy Sciences Major Scientific User Facilities
Advanced Photon Source

Intense Pulsed
Neutron Source

Advanced Light Source

National
Synchrotron
Light Source

Stanford Synchrotron
Radiation Laboratory

High-Flux
Isotope Reactor
Combustion Research
Facility

Manuel Lujan Jr. Neutron
nanoGUNE
Scattering Center

30 enero 2014

26

Spallation Neutron Source (SNS)
Oak Ridge National Laboratory


27

How Synchrotron Radiation (X-rays) can help to
Solve Energy Problems
 

Combustion Studies

 

Catalysts

 

Fuel Cells

 

Batteries

 

Solar Energy Utilization

 

etc.


Ultrafast Imaging of Fuel and Biofuel Sprays

Towards More Efficient and Cleaner Combustion Engines
• 

• 

• 

Use of ultrafast x-ray imaging, to elucidate this
complex multiphase fluid dynamics problem at a
fundamental level.
The x-ray images of the sprays have revealed, for
the first time, the instantaneous spray structure and
dynamics of optically dense sprays with a combined
unprecedented spatial and temporal resolution.
The spray morphology and dynamics will play an
important role, well beyond the combustion
research, in the emerging fields of microfluidics and
nanofluidics.

The liquid breakup of a highdensity stream from a fuel
injector as imaged with
ultrafast synchrotron x-ray
full-field phase contrast
imaging at the APS.

Fuente:
Yujie Wang et al, “Ultrafast X-ray study of dense-liquid-jet flow dynamics using
structure-tracking velocimetry,” Nature Phys. 4, 305 (2008).
X. Liu, et al., Appl. Phys. Lett. 94, 084101 (2009).


Pt-Cu Catalysts for Polymer Electrolyte Membrane
Fuel Cells (PEMFC)
PEMFCs
  Pt catalyst in cathode is
inefficient & expensive.

Cu
Pt

  Dealloyed Cu3Pt

nanoparticle catalysts are
more active & use less Pt

X-ray studies show:
  Dealloyed Cu3Pt nanoparticle catalyst forms core-shell structure with Pt rich shell
  The Pt shell is compressively strained & this results in higher catalytic activity
  Dynamics of dealloying and stability studied in-situ with X-rays
  Cu3Pt catalysts are nearly as stable as pure Pt
R.Yang et al., J. of Physical Chemistry C, 115, 9074 (2011)


Underground Storage of Solid CO2
Nanoscale features of natural rock
surfaces accelerate the nucleation
and growth of carbonate minerals, the
thermodynamically favored form of
carbon dioxide (CO2) in geologic
formations. This research used
advanced experiments and
computational modeling to probe
these nanoscale features and
discover how they control the growth
and distribution of solid carbonates.
DePaolo
Center for Nanoscale Control of Geologic CO2
(NCGC) EFRC
Lawrence Berkeley National Laboratory

Image courtesy of Lawrence
Berkeley National Laboratory
X-ray computer tomography (CT)
image showing solid carbonate
(calcite, green) grown in a
network of glass beads (blue).


Nanoscience and energy technologies


Nuevos centros de materiales/nanotecnologia

Molecular Foundry
(Lawrence Berkeley National
Laboratory)
Center for Nanoscale Materials
(Argonne National Laboratory)

Center for Nanophase Materials
Sciences
(Oak Ridge National Laboratory)

Center for Integrated Nanotechnologies (Sandia &
Los Alamos National Labs)


Five grand Challenges for Basic
Energy Sciences. Department of Energy
1.  How do we Control Materials Processes at the Level of Electrons?
2.  How do we Design and Perfect Atom- and Energy-Efficient Syntheses
of Revolutionary New Forms of Matter with Tailored Properties?
3.  How do Remarkable Properties of Matter Emerge from the Complex
Correlations of Atomic or Electronic Constituents and How Can We
Control These Properties?
4.  How can we Master Energy and Information on the Nanoscale to
Create New Technologies with Capabilities Rivaling Those of Living
Things?
5.  How do we Characterize and Control Matter Away—Especially Very
Far Away—from Equilibrium?

DOE Energy Innovation Hubs
• 
• 
• 
• 
• 

Fuels from Sunlight (Joint Center for Artificial Photosynthesis)
Energy Efficient Building Systems Design
Modeling and Simulation for Nuclear Fuel Cycles and Systems
Batteries and Energy Storage
Critical Materials
Each Hub will comprise a world-class, multi-disciplinary, and
highly collaborative research and development team.
Strong scientific leadership must be located at the primary location of the
Hub. Each hub must have a clear organization and management plan that
“infuses” a culture of empowered central research management throughout
the Hub.

Energy Innovation Hub: Batteries and Energy Storage
(Joint Center for Energy Storage Research: JCESR)
Fundamental research
JCESR’s core task is basic research—using a
new generation of nanoscience tools that
enable us to observe, characterize, and control
matter down to the atomic and molecular
scales.
This enhanced ability to understand materials
and chemical processes at a fundamental level
will enable us to reinvent electrical storage and
achieve major improvements in battery
performance at reduced cost.
Our industrial partners will help guide our efforts
to ensure that research leads toward practical
solutions that are competitive in the
marketplace.

New Materials for High-Energy, Long-Life Rechargeable Batteries
Using sulfur-rich, highly ionic compounds as cathodes and electrolytes enables solidstate lithium-sulfur rechargeable batteries.
The Science
Introduction of nanoscale porosity in a bulk
electrolyte material (lithium thiophosphate)
was found to promote surface conduction of
lithium ions, thereby enhancing the ionic
conductivity in the nanostructured material by
three orders of magnitude over the normal
bulk phase.
The Impact
The high ionic conductivities in these new,
nanoporous electrolytes coupled with sulfurrich, nanostructured cathode materials have
led to the development of a new type of solidstate, rechargeable lithium-sulfur battery that
is potentially safer and more reliable than
today’s commercial Li ion batteries.

Scanning electron micrograph of a new solid
electrolyte material (lithium thiophosphate)
showing its surface morphology and the
nanoscale porosity which are responsible for its
high ionic conductivity; Inset shows its crystal
structure.

Z. Liu, W. Fu, E. Andrew Payzant, X. Yu, Z. Wu, N. J. Dudney, J. Kiggans, K. Hong, A. J.
Rondinone, and C. Liang, “Anomalous High Ionic Conductivity of Nanoporous b-Li3PS4”, J.
Am. Chem. Soc., 135, 975, (2013).


Nano-Composite Designs for Energy Storage
Nano-porous metal oxide coatings on carbon fiber dramatically enhance the
electrical storage capacity for supercapacitors.

Researchers have discovered
that controlling the
nanostructured architecture of
metal oxides coated on carbon
fibers can lead to an unusually
high capacity to store electrical
charge in a special type of
supercapacitor known as a
pseudocapacitor.

Scanning electron microscopy of conductive
carbon fibers coated with metal oxide nanowires
(left) and close-ups of the cobalt oxide (Co3O4)
nanowires (top right) and the nanowire surface
(bottom right). These materials are being
developed to improve the storage capacity of a
type of supercapacitor known as a
psuedocapacitor.


Algunos ejemplos de investigación básica
relacionada con la energía


Energía Nuclear

•  Secciones eficaces de neutrones
•  Separación de isótopos
•  Físico-química de elementos pesados
•  Daño por Radiación


Evolución de conceptos de Reactores


Nuevos Reactores Nucleares:
• 

Reprocesan el combustible: reutilizan el Plutonio producido

• 

Funcionan a temperaturas muy altas: mejor rendimiento
termodinámico. Neutrones rápidos, se refrigeran por He.

• 

Elementos “fértiles”, no fisionables, como el Torio se pueden
convertir en fisionable como el U233


Necesidad de Medir Secciones Eficaces
Secciones eficaces de captura (línea sólida) y fisión (línea de puntos) para
el isótopo 238U. Las secciones eficaces están en barn y las energías de
los neutrones en eV.

Captura
Fisión

Fuente. Darwin & Charpak en “Megawatts and Megatons”

Secciones eficaces de captura (línea sólida) y fisión (línea de puntos) para
el isótopo 235U. Las secciones eficaces están en barn y las energías de los
neutrones en eV.

Fisión

Captura

Fuente: Darwin & Charpak en “Megawatts and Megatons”

REPROCESADO DEL COMBUSTIBLE IRRADIADO
El proceso PUREX actual
(separación de U y Pu)

• 
• 
• 
• 
• 

Disolución del UO2 en ácido nítrico
Separación del U+Pu con TBP ( tri-butil-fosfato)
Separación del U por reducción del Pu
Transformación del U y del Pu en óxidos para nuevo uso
Almacenamiento del resto de los residuos

( incluyen los productos de fisión y los actínidos menores ( Am Np y Cm)

Necesidad de Nuevos métodos de Separación

Probablemente el mayor cuello de botella para el
desarrollo de los nuevos reactores nucleares

Daño por Radiación
Esencial para:
• Almacenamiento del Combustible Nuclear
• Protección Radiológica


Quantification of actinide a-radiation damage in minerals and ceramics
Nature 445, 190-193 (2007)
Ian Farnan, Herman Cho & William J. Weber
There are large amounts of heavy a-emitters in nuclear waste and nuclear materials inventories stored in
various sites around the world. These include plutonium and minor actinides such as americium and curium.
In preparation for geological disposal there is consensus that actinides that have been separated from spent
nuclear fuel should be immobilized within mineral-based ceramics rather than glass because of their
superior aqueous durability and lower risk of accidental criticality. However, in the long term, the a-decay
taking place in these ceramics will severely disrupt their crystalline structure and reduce their durability. A
fundamental property in predicting cumulative radiation damage is the number of atoms permanently
displaced per a-decay. At present, this number is estimated to be 1,000–2,000 atoms/ in zircon. Here we
report nuclear magnetic resonance, spin-counting experiments that measure close to 5,000 atoms/ in
radiation-damaged natural zircons. New radiological nuclear magnetic resonance measurements on highly
radioactive, 239Pu zircon show damage similar to that caused by 238U and 232Th in mineral zircons at the
same dose.

“On the basis of these measurements, the initially crystalline
structure of a 10 weight per cent 239Pu zircon would be
amorphous after only 1,400 years in a geological repository
(desired immobilization timescales are of the order of
250,000 years)”. These measurements establish a basis for assessing the long-term structural
durability of actinide-containing ceramics in terms of an atomistic understanding of the fundamental damage
event.


Radiation Damage
α-particle
α-decay process

Recoil

~ 5 MeV
It causes:
• Amorphisation
• Swelling
• Cracks
• Leaching

~ 100 keV
Zircon: model study: old natural samples

zircon


•  Supercell of insulator’s bulk
•  Periodic boundary conditions
•  Density functional theory
•  Add external charge (potential)

•  Move it and follow electron wave-functions with TimeDependent DFT


Stopping power vs velocity
Threshold effect yes,
but still too low values
Proton/antiproton right


Advanced actinide fuels: Develop a fundamental
understanding of actinide-bearing materials properties
Scientific challenges

Mystery of 5f-electron elements
• Overcome limitations in current
experimental/theoretical
approaches to determining/
describing actinide material
properties
• Fundamental understanding of
thermal properties of complex
microstructure/composition
materials
• New approach to modeling phase
stability/compatibility in complex,
multicomponent actinide systems

Summary of research direction
New paradigm for 5f-electron research
•  Develop new quantum chemical/molecular
dynamic approaches that can accommodate the
additional complexity of 5f elements
•  Utilize/develop non-conventional experimental
techniques to measure and model thermal
properties of complex behavior actinide materials
•  Develop innovative defect models for multicomponent actinide fuel/fission product systems

Potential impact on ANES

Beyond cook and look
• Scientific basis for nuclear fuel design
• Optimizing fuel development and testing
• Reducing uncertainty in operational/safety
margins

Fuente: DOE. Advanced Nuclear Energy Systems


Algunos Proyectos financiados por el DOE
The Development of New Density Functional Theory and Computational Approaches for Strongly
Correlated f-Electron Ststems and Actinide Materials
Investigating the Nature of Extreme Condition Actinide Chemistry
Actinide Chemistry in Oxidative Alkaline Solutions: Synergistic Molecular Chemistry for Advanced
SNF Reprocessing
A First-principles Theory of the Energetics and Materials Properties of Actinides: The 5f-electron
Challenge
Actinide Binding to Dendritic Nanoscale Ligands: Fundamental Investigations and Applications to
Nuclear Separations
Probing f-electron interactions in actinide metal-ligand and metal-metal bonding
f-Electron Physics in α-Uranium, New Tools for an Historic Challenge
Materials for highly specific extraction of Cs and Sr from aqueous nuclear waste solutions
Modeling Spectroscopy and Photochemistry of Actinide Systems in Solution
An Experimental and Computational Study of Actinide and Fission Product Separation and
Sequestration by Engineered Mesoporous Materials
The link between actinide chemistry and core-level spectroscopies
An Ab Initio Full Potential Fully Relativistic Electronic Structure Study of Actinide Nitrides as
Nuclear Fuels


Energía Fotovoltaica

Shockley-Queisser límite para la eficiencia para el Si: 32%
Gap 1.1 eV, gap inidrecto, perdidas por calor etc.

Conversion Efficiencies vs. time (NREL)


Mercado de células fotovoltaicas

Fuente: P. Frankl, NEEDS, 2007

Células fotoeléctricas tandem

Usadas en el
Espacio


Otra manera de aumentar la eficiencia:
Introducción de una banda intermedia:


Nuevas ideas para células Fotovoltaicas
Basadas en colorantes
y nanoparticulas

Basadas en “pozos cuánticos”

… y moléculas orgánicas

HIDRÓGENO COMO VECTOR ENERGÉTICO


DOE Basic Research Needs for the Hydrogen Economy
  There exists an enormous gap between present state-ofthe-art capabilities and requirements that will allow
hydrogen to be competitive with today’s energy
technologies:
  Production: 9M tons to 40M tons (vehicles)
  Storage: 4.4 MJ/L (10K psi gas) to 9.72 MJ/L
  Fuel cells: $3,000/kW to $35/kW (gasoline engine)
  Major R&D efforts will be required:
  Simple improvements of today’s technologies will
not meet requirements
  Technical barriers can be overcome only with high
risk/high payoff basic research
  Research is highly interdisciplinary, requiring
chemistry, materials science, physics, biology,
engineering, nanoscience, computational science.

Workshop: May 13-15, 2003
Report: Summer 2003

  Basic and applied research should couple seamlessly.


How to produce H2?

(The Joint Center for Artificial Photosynthesis: JCAP)
“Net primary energy balance of a solar-driven photoelectrochemical
water-splitting device”
Pei Zhai et al. Energy Environ. Sci., 2013,6, 2380-2389
“A fundamental requirement for a renewable energy generation technology
is that it should produce more energy during its lifetime than is required to
manufacture it. In this study we evaluate the primary energy requirements
of a prospective renewable energy technology, solar-driven
photoelectrochemical (PEC) production of hydrogen from water. Using a
life cycle assessment (LCA) methodology, we evaluate the primary energy
requirements for upstream raw material preparation and fabrication under
a range of assumptions of processes and materials. As the technology is
at a very early stage of research and development, the analysis has
considerable uncertainties”.

How to produce H2?

(The Joint Center for Artificial Photosynthesis: JCAP)
Molecular and Nanoscale Interfaces Project
Research in the Molecular and Nanoscale Interfaces Project is directed
towards the development of strategies and tools for linking individual
components into fully functioning, nanoscale artificial photosynthetic
assemblies. A major obstacle towards the development of a viable
artificial photosynthetic systems for water splitting to hydrogen and oxygen,
or the conversion of carbon dioxide and water to liquid fuel, involves the
inefficient charge transport between light absorbers and catalysts and, in
particular, between the sites of water oxidation and fuel-generating halfreactions. To address these challenges, the Molecular and Nanoscale
Interfaces Project aims to couple light absorbers, catalysts, and halfreactions for optimal control of the rate, yield, and energetics of electron
and proton flow at the nanoscale, so that complete macroscale artificial
photosynthetic systems can achieve maximum conversion of solar photon
energy into the chemical energy of a fuel.


Hydrogen storage at metal-organic materials


Hydrogen storage at metal-organic materials

Only H2 2% uptake: not
enough to be usefull!

Eficiencia energética
Ejemplos de nuevas tecnologías:
• Diodos de Estado Sólido para la iluminación
• Superconductividad


La Iluminación convencional es muy ineficiente

Eficiencia Energética: La iluminación basada en diodos de Estado Sólido
es potencialmente 10 y 2 veces más eficiente que las lámparas
incandescentes y fluorescentes, respectivamente.

El Problema es conseguir luz blanca

Tuning the color
of
semiconducting
nanocrystal
quantum dots

Fuente: C.B. Murray et al., J. Am. Chem. Soc. 115,
8706 (1993)


Conclusiones del estudio del Deparment
of Energy (DOE)
•  Aumentar la eficiencia en un factor 10
•  Las tecnologías antiguas tienen
limites esenciales
•  La extrapolación de las tecnologías
actuales no cubrirán los objetivos
•  Se necesitan “breakthroughs” para
aumentar significativamente las
eficiencias


Use of Superconducting Materials
Zero resistance
Below Tc (-270 ºC) the
resistance drops (rapidly) to
zero.

Flux expulsion
Below Tc magnetic flux is
expelled from
the sample. This give rise to
phenomenon of magnetic
levitation.

La red eléctrica está bajo estrés, cerca de la saturación

Fiabilidad
“Blackouts”
Lower Manhattan infrastructure
(Courtesy of Con Edison)

Capacidad en Estados Unidos
Crecimiento del 50% para el año 2030
Red urbana: cuello de botella

Eficiencia
El 7-10% se pierde en el transporte.
En Estados Unidos, equivalente a 40
centrales de 1GW

Los Superconductores podrían transformar la red de
distribución

Albany N.Y.

Japanese Maglev flies with HTS coils,
(courtesy CJR)


Control of Grain Boundary Currents by Texturing - Key
to Second Generation (2G) YBCO Wire
Grain boundary critical current vs
misorientation angle

AMSC 2G wire architecture:
RABiTSTM process

Dimos, Chaudhari + Mannhart, PR 1990

Texturing within ~50 enables Jc(77 K) ~ 3x106 A/cm2 over 100’s of meters –
An amazing success, though it has taken 18 years to get to this point!

Science Opportunity: Vortex Physics
Vortex:
nanoscale quantum
of magnetic flux
Pinning vortices – basis for high
critical current density.
Much effort on existing materials (e. g.
YBCO) during last years.
But much still to do to increase Ic
Understanding magnetic pinning.


No se conoce el mecanismo responsable de
los nuevos superconductores!
Enorme tarea por delante
Nuevos materiales basados en diseño a escala atómica


“Nuevos” hidrocarburos


Los hidrocarburos no se acaban,
Ejemplo: Clatratos de Metano
Muy abundantes en el fondo del mar
Metano

Moléculas de
agua


Like “burning ice”


Natural Gas Hydrates
They are very abundant in Earth's permafrost and marine
sediments. They are also formed in natural gas extraction
pipes and have been detected in other planetary bodies like
Mars and some Saturn's moons
•  They can be a future hydrocarbons source
•  They are a serious environmental threat due to the
potential melting caused by the temperature increase
associated to the global warming and the further
uncontrolled release of their hydrocarbons
•  Potential use to store hydrogen and sequestration of CO2

Fundamental principles and applications of natural gas hydrates
E. Dendy Sloan Jr.

Center for Hydrate Research, Colorado School of Mines, Golden, Colorado
NATURE 426,353 (2003)


Enormes reservas


Preguntas:
Cómo se forman?
Cuantos hidrocarburos caben?
Son estables sin el hidrocarburo?
Se puede sustituir el Metano por CO2?
Sirven para almacenar H2?
Diagrama de fases P-T?


Cálculos de Primeros Principios

Reproducen la estructura de los clatratos y predicen cuantas moléculas de
metano y CO2 se pueden alojar en las cavidades (no más de 2 por cavidad).
La sustitución de metano por CO2 es dudosa
No sabemos como se forman. No son estables sin metano

Difusión molecular


Conclusiones:
Como para toda tecnología, la investigación básica es
indispensable para el desarrollo de la tecnología energética
La investigación básica sirve para generar conocimiento sobre
materiales y sistemas aunque puedan parecer solo
marginalmente relacionados con los problemas actuales de
las tecnologías energéticas
La investigación básica servirá al desarrollo tecnológico si se
aprovecha en un entorno adecuado


MUCHAS GRACIAS!


Phase Diagram


Reliability: Superconductors Enable
“Resistive” Fault Current Limiters
•  Superconductors -“smart” materials,
switch to resistive state above critical
current
•  Increased resistance limits current flow
•  Many FCLs demonstrated;
commercialization beginning
w/o FCL
w/FCL
Siemens/AMSC 2 MVA FCL

Need a current limiters a major opportunity for grid stabilization grid
Fault solution, or must drastically reconfigure and break up the


Funcionamiento de un Light Emitting Diode


Iluminación basada en Dispositivos de Estado Sólido
Investigación Básica Investigación Básica Orientada
  Entender y controlar
la ruta radiativa y no
radiativa en
semiconductores
  Nuevas
funcionalidades por
medio de
nanoestructuras
heterogéneas

  Diseño computacional y
síntesis de materiales
emisores de luz no
convencionales con
propiedades diseñadas
  Manejar y explotar el
desorden en dispositivos
orgánicos emisores de luz

  Entender el origen de la
degradación en
  Manejo innovador de
fotones
dispositivos orgánicos
emisores de luz
  Interacción luz-materia
  Descubrir nuevos
mejorada
conceptos para el control
  Caracterización,
de las características de
síntesis y
la luz emitida
ensamblado a escala
nanométrica
  Integración de
materiales
nanoestructurados en
dispositivos emisores
de luz

Fuente: DOE

Investigación Aplicada
Hitos Tecnológicos:
 Hacia 2025,
desarrollar tecnologías
avanzadas de
iluminación de Estado
Sólido con sistemas de
un 50% de eficiencia
con emisión muy
cercana a la luz solar
  Materiales y
componentes para
diodos emisores de luz
con componentes
inorgánicas y
orgánicas con
eficiencia mejorada y
bajo coste

Madurez Tecnológica y
Diseminación
  Desarrollo de
standards para
productos nuevos
  Aspectos
comerciales
  Asociaciones
industriales
  Aspectos legales,
de mercado, salud,
seguridad…
  Reducción de
costes
  Prototipos

  Fabricación de bajo
coste
  Cuestión de la
degradación y fiabilidad
de los productos


DOE Energy Innovation Hubs
(like the former Bell Labs.)
Proposed topics for Hubs:
• 
• 
• 
• 
• 
• 
• 
• 

Solar Electricity (EERE)
Fuels from Sunlight (SC)
Batteries and Energy Storage (SC)
Carbon Capture and Storage (FE)
Electrical Grid Systems (OE)
Energy Efficient Building Systems Design (EERE)
Extreme Materials for Nuclear Fuel Cycles and Systems (NE)
Modeling and Simulation for Nuclear Fuel Cycles and Systems (NE)

Each Hub will comprise a world-class, multi-disciplinary and highly
collaborative research and development team working largely under one roof.
This team will focus on solving critical technology challenges that prevent
large scale commercialization and deployment of the energy systems needed
to address our Nation’s greenhouse gas emission, energy security and
workforce creation goals
97

Molecular Dynamics based on force fields
•  One simulates the propagation of an energetic particle in a system of
atoms interacting via a model potential, by integrating the Newton
equations of motion.
•  The energetic particle displaces atoms from their equilibrium
positions, which, in turn, displace other atoms, resulting in a
“radiation cascade”.
•  At each moment of time, the simulation provides coordinates and
velocities of all atoms in the structure, giving the full phase trajectory
of damage propagation.
•  At the end of the simulation, the resulting structure contains
structural changes due to radiation damage, which can be analyzed
in detail.
•  DL_POLY 3 MD package. Several Millions of Atoms.

“Sumar” y “Partir” fotones


Otra vez los electrones f


La nanociencia y las tecnologías energéticas del futuro

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